#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:05:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178801 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/55/4105516.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4105516
loop_
_publ_author_name
'Brian F. Moore'
'G. Ajith Kumar'
'Mei-Chee Tan'
'Jesse Kohl'
'Richard E. Riman'
'Mikhail G. Brik'
'Thomas J. Emge'
'John G. Brennan'
_publ_section_title
;
 Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from
 Nanoscale NdSex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              373
_journal_page_last               378
_journal_paper_doi               10.1021/ja1069322
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C176 H160 Ce17 N16 Na Se34, 11(C5 H5 N)'
_chemical_formula_sum            'C231 H215 Ce17 N27 Na Se34'
_chemical_formula_weight         8458.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.099(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5455(11)
_cell_length_b                   42.056(2)
_cell_length_c                   31.0886(16)
_cell_measurement_reflns_used    9036
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      2.28
_cell_volume                     28019(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0485
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       -53
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            136098
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.68
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.165
_exptl_absorpt_correction_T_max  0.6339
_exptl_absorpt_correction_T_min  0.2148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_description       lathe
_exptl_crystal_F_000             15772
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.485
_refine_diff_density_min         -1.530
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1949
_refine_ls_number_reflns         30853
_refine_ls_number_restraints     6746
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0930P)²+9.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1426
_refine_ls_wR_factor_ref         0.1623
_reflns_number_gt                19409
_reflns_number_total             30853
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1069322_si_003.cif
_cod_data_source_block           bm112_ce17
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0930P)^2^+9.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0930P)^2^+9.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4105516
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ce1 Ce 0.216398(18) 0.371814(11) 0.734607(14) 0.04469(11) Uani 1 d U .
Ce2 Ce 0.088230(19) 0.369672(11) 0.618231(14) 0.04520(11) Uani 1 d U .
Ce3 Ce -0.092838(19) 0.371178(11) 0.579371(13) 0.04347(11) Uani 1 d U .
Ce4 Ce -0.219422(18) 0.370328(11) 0.640078(14) 0.04488(11) Uani 1 d U .
Ce5 Ce 0.10532(2) 0.285688(11) 0.711385(17) 0.05103(12) Uani 1 d U .
Ce6 Ce -0.09077(2) 0.285776(10) 0.656705(16) 0.04766(12) Uani 1 d U .
Ce7 Ce 0.13859(2) 0.455860(10) 0.786741(13) 0.04206(11) Uani 1 d U .
Ce8 Ce 0.00799(2) 0.456179(10) 0.655805(13) 0.04172(11) Uani 1 d U .
Ce9 Ce 0.0000 0.371179(13) 0.7500 0.03358(12) Uani 1 d SU .
Se1 Se 0.00242(3) 0.335509(18) 0.66035(2) 0.04003(17) Uani 1 d U .
Se2 Se 0.09337(3) 0.406501(17) 0.70792(2) 0.03629(16) Uani 1 d U .
Se3 Se -0.09111(3) 0.406637(17) 0.66452(2) 0.03647(16) Uani 1 d U .
Se4 Se -0.13031(3) 0.335479(17) 0.71871(2) 0.03846(16) Uani 1 d U .
Se5 Se 0.17838(4) 0.32190(2) 0.66604(3) 0.0535(2) Uani 1 d U .
Se6 Se -0.00269(4) 0.41902(2) 0.57476(2) 0.0481(2) Uani 1 d U .
Se7 Se -0.18114(3) 0.32230(2) 0.58685(3) 0.0481(2) Uani 1 d U .
Se8 Se -0.25410(3) 0.41944(2) 0.69445(3) 0.04712(19) Uani 1 d U .
Se9 Se 0.0000 0.46757(3) 0.7500 0.0485(3) Uani 1 d SU .
Se10 Se 0.0000 0.27411(3) 0.7500 0.0536(3) Uani 1 d SU .
Se11 Se -0.00471(4) 0.32573(2) 0.55099(3) 0.0593(2) Uani 1 d DU .
C1 C -0.0047(4) 0.3314(2) 0.4894(3) 0.081(2) Uani 1 d DU .
C2 C 0.0002(5) 0.3049(3) 0.4635(3) 0.101(3) Uani 1 d DU .
H2 H 0.0022 0.2843 0.4762 0.121 Uiso 1 calc R .
C3 C 0.0023(6) 0.3084(3) 0.4197(3) 0.112(3) Uani 1 d DU .
H3 H 0.0065 0.2903 0.4026 0.135 Uiso 1 calc R .
C4 C -0.0017(6) 0.3386(3) 0.4012(4) 0.111(3) Uani 1 d DU .
H4 H -0.0008 0.3409 0.3710 0.133 Uiso 1 calc R .
C5 C -0.0070(5) 0.3648(3) 0.4251(3) 0.099(3) Uani 1 d DU .
H5 H -0.0096 0.3853 0.4119 0.119 Uiso 1 calc R .
C6 C -0.0084(5) 0.3611(3) 0.4698(3) 0.086(2) Uani 1 d DU .
H6 H -0.0121 0.3794 0.4867 0.104 Uiso 1 calc R .
Se12 Se 0.19864(4) 0.41540(2) 0.65044(3) 0.0601(2) Uani 1 d DU .
C7 C 0.2602(4) 0.4070(3) 0.6204(3) 0.087(2) Uani 1 d DU .
C8 C 0.2859(4) 0.4326(3) 0.6049(4) 0.106(3) Uani 1 d DU .
H8 H 0.2715 0.4535 0.6079 0.127 Uiso 1 calc R .
C9 C 0.3335(5) 0.4282(3) 0.5845(4) 0.117(3) Uani 1 d DU .
H9 H 0.3530 0.4457 0.5750 0.140 Uiso 1 calc R .
C10 C 0.3501(6) 0.3972(3) 0.5792(4) 0.121(3) Uani 1 d DU .
H10 H 0.3810 0.3935 0.5647 0.146 Uiso 1 calc R .
C11 C 0.3252(5) 0.3721(3) 0.5932(4) 0.110(3) Uani 1 d DU .
H11 H 0.3386 0.3512 0.5894 0.132 Uiso 1 calc R .
C12 C 0.2785(4) 0.3771(3) 0.6140(3) 0.090(2) Uani 1 d DU .
H12 H 0.2596 0.3594 0.6236 0.108 Uiso 1 calc R .
Se13 Se -0.20575(4) 0.41617(2) 0.56698(3) 0.0610(2) Uani 1 d DU .
C13 C -0.2720(5) 0.4123(2) 0.5109(3) 0.110(3) Uani 1 d DU .
C14 C -0.3027(6) 0.4393(3) 0.4905(4) 0.147(4) Uani 1 d DU .
H14 H -0.2894 0.4593 0.5044 0.177 Uiso 1 calc R .
C15 C -0.3519(6) 0.4385(3) 0.4509(3) 0.175(4) Uani 1 d DU .
H15 H -0.3705 0.4572 0.4357 0.211 Uiso 1 calc R .
C16 C -0.3723(7) 0.4083(3) 0.4348(5) 0.179(4) Uani 1 d DU .
H16 H -0.4125 0.4061 0.4133 0.214 Uiso 1 calc R .
C17 C -0.3370(7) 0.3822(3) 0.4487(5) 0.154(4) Uani 1 d DU .
H17 H -0.3450 0.3632 0.4312 0.184 Uiso 1 calc R .
C18 C -0.2884(5) 0.3837(3) 0.4895(4) 0.117(3) Uani 1 d DU .
H18 H -0.2668 0.3649 0.5024 0.140 Uiso 1 calc R .
Se14 Se -0.28465(4) 0.32549(2) 0.69007(3) 0.0586(2) Uani 1 d DU .
C19 C -0.3742(3) 0.3302(2) 0.6694(3) 0.074(2) Uani 1 d DU .
C20 C -0.4103(4) 0.3024(2) 0.6603(4) 0.086(2) Uani 1 d DU .
H20 H -0.3899 0.2824 0.6665 0.103 Uiso 1 calc R .
C21 C -0.4743(4) 0.3032(3) 0.6427(4) 0.097(3) Uani 1 d DU .
H21 H -0.4987 0.2844 0.6387 0.117 Uiso 1 calc R .
C22 C -0.5012(4) 0.3328(3) 0.6311(4) 0.100(3) Uani 1 d DU .
H22 H -0.5451 0.3339 0.6170 0.120 Uiso 1 calc R .
C23 C -0.4685(4) 0.3602(3) 0.6386(4) 0.095(3) Uani 1 d DU .
H23 H -0.4890 0.3801 0.6307 0.114 Uiso 1 calc R .
C24 C -0.4031(4) 0.3587(2) 0.6583(3) 0.082(2) Uani 1 d DU .
H24 H -0.3792 0.3777 0.6639 0.099 Uiso 1 calc R .
N1 N 0.32779(9) 0.37379(4) 0.72765(16) 0.0731(18) Uani 1 d DU .
C49 C 0.35363(9) 0.40196(4) 0.72533(17) 0.085(2) Uani 1 d DU .
H49 H 0.3328 0.4205 0.7305 0.102 Uiso 1 calc R .
C50 C 0.40914(13) 0.40561(4) 0.7157(2) 0.098(3) Uani 1 d DU .
H50 H 0.4272 0.4260 0.7154 0.117 Uiso 1 calc R .
C51 C 0.43633(13) 0.37931(5) 0.70697(19) 0.111(3) Uani 1 d DU .
H51 H 0.4723 0.3811 0.6974 0.133 Uiso 1 calc R .
C52 C 0.41375(9) 0.35028(5) 0.71136(19) 0.104(3) Uani 1 d DU .
H52 H 0.4362 0.3317 0.7086 0.125 Uiso 1 calc R .
C53 C 0.3572(2) 0.34794(5) 0.7199(3) 0.088(2) Uani 1 d DU .
H53 H 0.3391 0.3276 0.7203 0.106 Uiso 1 calc R .
N2 N 0.13196(15) 0.36703(4) 0.55092(12) 0.092(2) Uani 1 d DU .
C54 C 0.13646(14) 0.39308(4) 0.52775(12) 0.117(3) Uani 1 d DU .
H54 H 0.1244 0.4128 0.5373 0.140 Uiso 1 calc R .
C55 C 0.1578(2) 0.39284(5) 0.49060(14) 0.139(3) Uani 1 d DU .
H55 H 0.1611 0.4119 0.4751 0.167 Uiso 1 calc R .
C56 C 0.1734(2) 0.36477(6) 0.47741(15) 0.145(3) Uani 1 d DU .
H56 H 0.1876 0.3638 0.4517 0.174 Uiso 1 calc R .
C57 C 0.16965(15) 0.33783(5) 0.49975(13) 0.132(3) Uani 1 d DU .
H57 H 0.1801 0.3179 0.4896 0.158 Uiso 1 calc R .
C58 C 0.1502(4) 0.33954(6) 0.5377(2) 0.110(3) Uani 1 d DU .
H58 H 0.1499 0.3208 0.5548 0.132 Uiso 1 calc R .
N3 N -0.1431(3) 0.37020(4) 0.49198(5) 0.0547(15) Uani 1 d DU .
C59 C -0.1586(4) 0.34282(5) 0.46973(6) 0.0586(19) Uani 1 d DU .
H59 H -0.1525 0.3237 0.4868 0.070 Uiso 1 calc R .
C60 C -0.1829(4) 0.34085(6) 0.42317(7) 0.077(2) Uani 1 d DU .
H60 H -0.1963 0.3211 0.4084 0.092 Uiso 1 calc R .
C61 C -0.1868(4) 0.36776(7) 0.39980(6) 0.096(3) Uani 1 d DU .
H61 H -0.2016 0.3671 0.3677 0.116 Uiso 1 calc R .
C62 C -0.1701(5) 0.39586(7) 0.42080(6) 0.096(3) Uani 1 d DU .
H62 H -0.1706 0.4147 0.4038 0.115 Uiso 1 calc R .
C63 C -0.1521(5) 0.39687(6) 0.46758(9) 0.080(2) Uani 1 d DU .
H63 H -0.1460 0.4169 0.4825 0.095 Uiso 1 calc R .
N4 N -0.33205(11) 0.36778(4) 0.5840(2) 0.082(2) Uani 1 d DU .
C64 C -0.35795(10) 0.33985(4) 0.5687(2) 0.092(3) Uani 1 d DU .
H64 H -0.3339 0.3211 0.5784 0.110 Uiso 1 calc R .
C65 C -0.41796(14) 0.33665(5) 0.5395(3) 0.116(3) Uani 1 d DU .
H65 H -0.4347 0.3164 0.5286 0.140 Uiso 1 calc R .
C66 C -0.45137(14) 0.36318(5) 0.5274(3) 0.132(4) Uani 1 d DU .
H66 H -0.4941 0.3617 0.5100 0.158 Uiso 1 calc R .
C67 C -0.42564(11) 0.39201(5) 0.5394(2) 0.124(3) Uani 1 d DU .
H67 H -0.4479 0.4108 0.5270 0.148 Uiso 1 calc R .
C68 C -0.3662(2) 0.39387(5) 0.5700(3) 0.102(3) Uani 1 d DU .
H68 H -0.3495 0.4140 0.5813 0.122 Uiso 1 calc R .
N5 N 0.19324(7) 0.24618(5) 0.70236(17) 0.0779(19) Uani 1 d DU .
C69 C 0.25203(8) 0.25468(7) 0.72349(18) 0.083(2) Uani 1 d DU .
H69 H 0.2593 0.2742 0.7397 0.099 Uiso 1 calc R .
C70 C 0.30303(8) 0.23661(5) 0.72305(18) 0.092(3) Uani 1 d DU .
H70 H 0.3443 0.2428 0.7397 0.110 Uiso 1 calc R .
C71 C 0.29189(8) 0.21013(10) 0.6982(2) 0.106(3) Uani 1 d DU .
H71 H 0.3258 0.1969 0.6978 0.127 Uiso 1 calc R .
C72 C 0.23352(9) 0.20178(11) 0.6738(2) 0.112(3) Uani 1 d DU .
H72 H 0.2265 0.1840 0.6540 0.134 Uiso 1 calc R .
C73 C 0.18388(11) 0.21950(14) 0.6780(3) 0.101(3) Uani 1 d DU .
H73 H 0.1424 0.2125 0.6632 0.121 Uiso 1 calc R .
N6 N -0.13563(11) 0.24646(8) 0.58626(6) 0.0724(17) Uani 1 d DU .
C74 C -0.12301(17) 0.25613(9) 0.54923(8) 0.094(2) Uani 1 d DU .
H74 H -0.0944 0.2732 0.5520 0.113 Uiso 1 calc R .
C75 C -0.14935(13) 0.24267(10) 0.50703(7) 0.108(3) Uani 1 d DU .
H75 H -0.1394 0.2501 0.4813 0.130 Uiso 1 calc R .
C76 C -0.18924(17) 0.21875(11) 0.50401(8) 0.110(3) Uani 1 d DU .
H76 H -0.2100 0.2098 0.4752 0.132 Uiso 1 calc R .
C77 C -0.2007(2) 0.20703(11) 0.54093(10) 0.103(3) Uani 1 d DU .
H77 H -0.2267 0.1890 0.5386 0.124 Uiso 1 calc R .
C78 C -0.1739(3) 0.22171(14) 0.58226(11) 0.084(2) Uani 1 d DU .
H78 H -0.1830 0.2140 0.6083 0.101 Uiso 1 calc R .
N7 N 0.23165(12) 0.49464(6) 0.82844(11) 0.0682(17) Uani 1 d DU .
C79 C 0.26660(12) 0.48573(7) 0.86965(11) 0.085(3) Uani 1 d DU .
H79 H 0.2560 0.4666 0.8818 0.102 Uiso 1 calc R .
C80 C 0.31746(16) 0.50284(8) 0.89563(11) 0.092(3) Uani 1 d DU .
H80 H 0.3397 0.4967 0.9257 0.110 Uiso 1 calc R .
C81 C 0.33406(17) 0.52838(9) 0.87668(14) 0.100(3) Uani 1 d DU .
H81 H 0.3698 0.5402 0.8932 0.121 Uiso 1 calc R .
C82 C 0.30118(12) 0.53780(9) 0.83468(15) 0.096(3) Uani 1 d DU .
H82 H 0.3138 0.5559 0.8215 0.115 Uiso 1 calc R .
C83 C 0.2487(3) 0.52078(13) 0.81102(15) 0.079(2) Uani 1 d DU .
H83 H 0.2243 0.5278 0.7819 0.095 Uiso 1 calc R .
N8 N 0.03266(9) 0.49711(6) 0.59686(10) 0.0712(18) Uani 1 d DU .
C84 C 0.07838(11) 0.48721(6) 0.58139(12) 0.082(2) Uani 1 d DU .
H84 H 0.1009 0.4687 0.5944 0.099 Uiso 1 calc R .
C85 C 0.09478(13) 0.50252(7) 0.54741(13) 0.092(2) Uani 1 d DU .
H85 H 0.1289 0.4954 0.5381 0.110 Uiso 1 calc R .
C86 C 0.06073(10) 0.52764(9) 0.52824(12) 0.094(3) Uani 1 d DU .
H86 H 0.0688 0.5377 0.5033 0.113 Uiso 1 calc R .
C87 C 0.01519(14) 0.53900(7) 0.54351(14) 0.087(3) Uani 1 d DU .
H87 H -0.0069 0.5578 0.5309 0.105 Uiso 1 calc R .
C88 C 0.0010(2) 0.52296(10) 0.57790(17) 0.079(2) Uani 1 d DU .
H88 H -0.0320 0.5305 0.5882 0.095 Uiso 1 calc R .
Na1A Na 0.0000 0.5400(3) 0.7500 0.150 Uiso 0.5946(14) d SPDU 1
Se15 Se -0.14169(8) 0.23716(5) 0.70502(9) 0.0612(7) Uani 0.5946(14) d PDU 1
C25A C -0.23023(14) 0.23135(13) 0.67786(18) 0.081(3) Uani 0.5946(14) d PDU 1
C26A C -0.2614(3) 0.20750(18) 0.6916(3) 0.087(2) Uani 0.5946(14) d PDU 1
H26A H -0.2377 0.1939 0.7150 0.105 Uiso 0.5946(14) calc PR 1
C27A C -0.3244(4) 0.2016(3) 0.6741(4) 0.090(3) Uani 0.5946(14) d PDU 1
H27A H -0.3441 0.1847 0.6847 0.108 Uiso 0.5946(14) calc PR 1
C28A C -0.3576(5) 0.2222(2) 0.6396(4) 0.087(3) Uani 0.5946(14) d PDU 1
H28A H -0.4013 0.2193 0.6263 0.104 Uiso 0.5946(14) calc PR 1
C29A C -0.3291(5) 0.2461(3) 0.6248(4) 0.084(3) Uani 0.5946(14) d PDU 1
H29A H -0.3528 0.2597 0.6014 0.101 Uiso 0.5946(14) calc PR 1
C30A C -0.2646(5) 0.2510(3) 0.6439(3) 0.076(3) Uani 0.5946(14) d PDU 1
H30A H -0.2448 0.2679 0.6333 0.092 Uiso 0.5946(14) calc PR 1
Se26 Se 0.09245(6) 0.50369(7) 0.84356(13) 0.0932(12) Uani 0.5946(14) d PDU 1
C31B C 0.15203(7) 0.51957(14) 0.8968(2) 0.079(3) Uani 0.5946(14) d PDU 1
C32B C 0.18344(14) 0.54772(19) 0.8941(4) 0.082(3) Uani 0.5946(14) d PDU 1
H32B H 0.1747 0.5585 0.8659 0.098 Uiso 0.5946(14) calc PR 1
C33B C 0.2269(2) 0.5600(3) 0.9318(4) 0.089(3) Uani 0.5946(14) d PDU 1
H33B H 0.2487 0.5792 0.9305 0.107 Uiso 0.5946(14) calc PR 1
C34B C 0.2377(3) 0.5431(3) 0.9722(4) 0.090(3) Uani 0.5946(14) d PDU 1
H34B H 0.2675 0.5511 0.9988 0.108 Uiso 0.5946(14) calc PR 1
C35B C 0.2077(3) 0.5160(3) 0.9751(4) 0.088(3) Uani 0.5946(14) d PDU 1
H35B H 0.2165 0.5053 1.0033 0.105 Uiso 0.5946(14) calc PR 1
C36B C 0.1631(4) 0.5033(3) 0.9365(3) 0.081(3) Uani 0.5946(14) d PDU 1
H36B H 0.1415 0.4842 0.9380 0.097 Uiso 0.5946(14) calc PR 1
Se17 Se 0.01553(4) 0.25308(4) 0.62993(4) 0.0535(4) Uani 0.5946(14) d PDU 1
C37A C 0.00081(5) 0.20991(18) 0.6378(3) 0.076(2) Uani 0.5946(14) d PDU 1
C38A C -0.01856(10) 0.1901(2) 0.6000(4) 0.075(3) Uani 0.5946(14) d PDU 1
H38A H -0.0240 0.1989 0.5708 0.090 Uiso 0.5946(14) calc PR 1
C39A C -0.03007(17) 0.1581(3) 0.6038(4) 0.081(3) Uani 0.5946(14) d PDU 1
H39A H -0.0433 0.1449 0.5779 0.097 Uiso 0.5946(14) calc PR 1
C40A C -0.02170(18) 0.1459(3) 0.6471(4) 0.082(3) Uani 0.5946(14) d PDU 1
H40A H -0.0294 0.1240 0.6504 0.099 Uiso 0.5946(14) calc PR 1
C41A C -0.00323(19) 0.1642(3) 0.6840(4) 0.085(3) Uani 0.5946(14) d PDU 1
H41A H 0.0020 0.1552 0.7130 0.102 Uiso 0.5946(14) calc PR 1
C42A C 0.0085(2) 0.1969(3) 0.6800(4) 0.081(3) Uani 0.5946(14) d PDU 1
H42A H 0.0217 0.2099 0.7063 0.097 Uiso 0.5946(14) calc PR 1
Se28 Se 0.11954(10) 0.50136(3) 0.70798(7) 0.0746(7) Uani 0.5946(14) d PDU 1
C43B C 0.1921(4) 0.50683(7) 0.68955(18) 0.095(3) Uani 0.5946(14) d PDU 1
C44B C 0.2469(5) 0.49100(10) 0.7120(3) 0.115(3) Uani 0.5946(14) d PDU 1
H44B H 0.2475 0.4775 0.7365 0.138 Uiso 0.5946(14) calc PR 1
C45B C 0.3010(6) 0.49414(17) 0.6999(4) 0.129(3) Uani 0.5946(14) d PDU 1
H45B H 0.3381 0.4831 0.7158 0.155 Uiso 0.5946(14) calc PR 1
C46B C 0.2988(7) 0.51408(19) 0.6639(4) 0.131(3) Uani 0.5946(14) d PDU 1
H46B H 0.3351 0.5167 0.6549 0.157 Uiso 0.5946(14) calc PR 1
C47B C 0.2460(6) 0.52992(18) 0.6412(4) 0.126(3) Uani 0.5946(14) d PDU 1
H47B H 0.2458 0.5434 0.6167 0.151 Uiso 0.5946(14) calc PR 1
C48B C 0.1913(6) 0.5264(2) 0.6540(3) 0.111(3) Uani 0.5946(14) d PDU 1
H48B H 0.1543 0.5375 0.6381 0.133 Uiso 0.5946(14) calc PR 1
N9A N -0.10500(9) 0.59229(6) 0.68725(14) 0.225(5) Uani 0.5946(14) d PDU 1
C89A C -0.09388(12) 0.60758(6) 0.65299(14) 0.228(5) Uani 0.5946(14) d PDU 1
H89A H -0.0629 0.5993 0.6412 0.274 Uiso 0.5946(14) calc PR 1
C90A C -0.12520(10) 0.63487(8) 0.63377(15) 0.226(5) Uani 0.5946(14) d PDU 1
H90A H -0.1121 0.6471 0.6127 0.271 Uiso 0.5946(14) calc PR 1
C91A C -0.17459(13) 0.64325(7) 0.64614(17) 0.230(5) Uani 0.5946(14) d PDU 1
H91A H -0.2001 0.6604 0.6311 0.276 Uiso 0.5946(14) calc PR 1
C92A C -0.18901(14) 0.62784(9) 0.67951(18) 0.228(5) Uani 0.5946(14) d PDU 1
H92A H -0.2250 0.6336 0.6875 0.273 Uiso 0.5946(14) calc PR 1
C93A C -0.1506(3) 0.60345(19) 0.7020(3) 0.230(5) Uani 0.5946(14) d PDU 1
H93A H -0.1568 0.5945 0.7284 0.277 Uiso 0.5946(14) calc PR 1
N10A N 0.02852(8) 0.21925(7) 0.49843(17) 0.186(4) Uani 0.5946(14) d PDU 1
C94A C 0.06024(8) 0.20668(10) 0.47283(18) 0.198(5) Uani 0.5946(14) d PDU 1
H94A H 0.0392 0.1924 0.4494 0.238 Uiso 0.5946(14) calc PR 1
C95A C 0.12232(11) 0.21342(7) 0.47882(17) 0.201(5) Uani 0.5946(14) d PDU 1
H95A H 0.1457 0.2017 0.4635 0.241 Uiso 0.5946(14) calc PR 1
C96A C 0.14784(10) 0.23711(9) 0.50700(19) 0.198(4) Uani 0.5946(14) d PDU 1
H96A H 0.1878 0.2449 0.5081 0.238 Uiso 0.5946(14) calc PR 1
C97A C 0.11791(9) 0.25018(12) 0.5340(2) 0.182(4) Uani 0.5946(14) d PDU 1
H97A H 0.1367 0.2668 0.5543 0.218 Uiso 0.5946(14) calc PR 1
C98A C 0.0593(2) 0.2389(2) 0.5315(3) 0.176(4) Uani 0.5946(14) d PDU 1
H98A H 0.0406 0.2453 0.5537 0.211 Uiso 0.5946(14) calc PR 1
Na1B Na 0.0000 0.1975(3) 0.7500 0.101(3) Uani 0.4054(14) d SPDU 2
Se25 Se -0.13391(10) .23666(9) .71597(15) 0.0680(11) Uani 0.4054(14) d PDU 2
C25B C -0.21789(15) 0.22098(18) 0.6938(2) 0.083(3) Uani 0.4054(14) d PDU 2
C26B C -0.2333(3) 0.1928(2) 0.7097(4) 0.089(3) Uani 0.4054(14) d PDU 2
H26B H -0.2014 0.1816 0.7318 0.107 Uiso 0.4054(14) calc PR 2
C27B C -0.2924(4) 0.1797(3) 0.6958(4) 0.089(3) Uani 0.4054(14) d PDU 2
H27B H -0.3013 0.1601 0.7077 0.107 Uiso 0.4054(14) calc PR 2
C28B C -0.3380(6) 0.1965(3) 0.6637(4) 0.092(3) Uani 0.4054(14) d PDU 2
H28B H -0.3792 0.1882 0.6534 0.110 Uiso 0.4054(14) calc PR 2
C29B C -0.3258(6) 0.2245(4) 0.6466(5) 0.089(3) Uani 0.4054(14) d PDU 2
H29B H -0.3579 0.2356 0.6246 0.107 Uiso 0.4054(14) calc PR 2
C30B C -0.2645(5) 0.2369(4) 0.6621(4) 0.082(3) Uani 0.4054(14) d PDU 2
H30B H -0.2554 0.2565 0.6503 0.099 Uiso 0.4054(14) calc PR 2
Se16 Se 0.08917(6) 0.50583(7) 0.84114(10) 0.0387(8) Uani 0.4054(14) d PDU 2
C31A C 0.14780(9) 0.51064(15) 0.9012(3) 0.076(3) Uani 0.4054(14) d PDU 2
C32A C 0.19096(17) 0.5355(2) 0.9129(4) 0.080(3) Uani 0.4054(14) d PDU 2
H32A H 0.1905 0.5503 0.8897 0.096 Uiso 0.4054(14) calc PR 2
C33A C 0.2345(3) 0.5407(3) 0.9550(5) 0.087(3) Uani 0.4054(14) d PDU 2
H33A H 0.2623 0.5583 0.9601 0.104 Uiso 0.4054(14) calc PR 2
C34A C 0.2361(4) 0.5193(3) 0.9896(5) 0.085(3) Uani 0.4054(14) d PDU 2
H34A H 0.2651 0.5219 1.0190 0.102 Uiso 0.4054(14) calc PR 2
C35A C 0.1951(4) 0.4946(3) 0.9801(5) 0.079(3) Uani 0.4054(14) d PDU 2
H35A H 0.1958 0.4799 1.0035 0.095 Uiso 0.4054(14) calc PR 2
C36A C 0.1514(5) 0.4901(3) 0.9367(4) 0.076(3) Uani 0.4054(14) d PDU 2
H36A H 0.1237 0.4725 0.9317 0.091 Uiso 0.4054(14) calc PR 2
Se27 Se 0.01598(6) 0.23468(6) 0.66504(11) 0.0849(9) Uani 0.4054(14) d PDU 2
C37B C 0.03429(8) 0.2212(2) 0.6130(3) 0.092(2) Uani 0.4054(14) d PDU 2
C38B C 0.06220(16) 0.2412(3) 0.5903(4) 0.120(3) Uani 0.4054(14) d PDU 2
H38B H 0.0724 0.2622 0.6013 0.144 Uiso 0.4054(14) calc PR 2
C39B C 0.0762(3) 0.2317(4) 0.5518(5) 0.152(3) Uani 0.4054(14) d PDU 2
H39B H 0.0955 0.2454 0.5359 0.183 Uiso 0.4054(14) calc PR 2
C40B C 0.0595(3) 0.2002(4) 0.5380(6) 0.154(3) Uani 0.4054(14) d PDU 2
H40B H 0.0678 0.1923 0.5118 0.184 Uiso 0.4054(14) calc PR 2
C41B C 0.0321(3) 0.1809(4) 0.5607(4) 0.129(4) Uani 0.4054(14) d PDU 2
H41B H 0.0219 0.1599 0.5498 0.155 Uiso 0.4054(14) calc PR 2
C42B C 0.0180(4) 0.1903(3) 0.5992(4) 0.100(3) Uani 0.4054(14) d PDU 2
H42B H -0.0014 0.1764 0.6150 0.120 Uiso 0.4054(14) calc PR 2
Se18 Se 0.13137(7) 0.48803(6) 0.69912(8) 0.0490(6) Uani 0.4054(14) d PDU 2
C43A C 0.11150(9) 0.5328(2) 0.6973(2) 0.068(3) Uani 0.4054(14) d PDU 2
C44A C 0.07913(17) 0.5461(3) 0.7240(3) 0.083(3) Uani 0.4054(14) d PDU 2
H44A H 0.0664 0.5324 0.7438 0.099 Uiso 0.4054(14) calc PR 2
C45A C 0.0641(2) 0.5779(3) 0.7237(3) 0.090(4) Uani 0.4054(14) d PDU 2
H45A H 0.0417 0.5859 0.7427 0.108 Uiso 0.4054(14) calc PR 2
C46A C 0.0824(3) 0.5978(4) 0.6950(4) 0.090(4) Uani 0.4054(14) d PDU 2
H46A H 0.0726 0.6198 0.6942 0.108 Uiso 0.4054(14) calc PR 2
C47A C 0.1135(3) 0.5867(3) 0.6686(5) 0.084(4) Uani 0.4054(14) d PDU 2
H47A H 0.1260 0.6005 0.6489 0.101 Uiso 0.4054(14) calc PR 2
C48A C 0.1279(4) 0.5540(3) 0.6700(4) 0.076(3) Uani 0.4054(14) d PDU 2
H48A H 0.1503 0.5463 0.6508 0.092 Uiso 0.4054(14) calc PR 2
N9B N 0.12614(16) 0.14871(8) 0.76718(9) 0.107(4) Uani 0.4054(14) d PDU 2
C89B C 0.14824(16) 0.13326(9) 0.80632(8) 0.107(4) Uani 0.4054(14) d PDU 2
H89B H 0.1406 0.1419 0.8323 0.128 Uiso 0.4054(14) calc PR 2
C90B C 0.1817(2) 0.10524(10) 0.81105(9) 0.106(4) Uani 0.4054(14) d PDU 2
H90B H 0.1989 0.0954 0.8397 0.127 Uiso 0.4054(14) calc PR 2
C91B C 0.1888(3) 0.09259(9) 0.77362(12) 0.109(4) Uani 0.4054(14) d PDU 2
H91B H 0.2078 0.0723 0.7751 0.130 Uiso 0.4054(14) calc PR 2
C92B C 0.16955(19) 0.10801(10) 0.73376(10) 0.107(4) Uani 0.4054(14) d PDU 2
H92B H 0.1764 0.0992 0.7076 0.129 Uiso 0.4054(14) calc PR 2
C93B C 0.1396(5) 0.13697(16) 0.73144(14) 0.109(4) Uani 0.4054(14) d PDU 2
H93B H 0.1284 0.1487 0.7040 0.131 Uiso 0.4054(14) calc PR 2
N10B N 0.26022(11) 0.50137(11) 0.64719(12) 0.134(3) Uani 0.4054(14) d PDU 2
C94B C 0.28874(10) 0.52121(14) 0.62660(11) 0.135(3) Uani 0.4054(14) d PDU 2
H94B H 0.2677 0.5271 0.5962 0.162 Uiso 0.4054(14) calc PR 2
C95B C 0.34743(17) 0.53368(14) 0.64726(13) 0.139(4) Uani 0.4054(14) d PDU 2
H95B H 0.3683 0.5461 0.6308 0.167 Uiso 0.4054(14) calc PR 2
C96B C 0.37343(12) 0.52761(14) 0.69120(13) 0.141(4) Uani 0.4054(14) d PDU 2
H96B H 0.4114 0.5378 0.7073 0.169 Uiso 0.4054(14) calc PR 2
C97B C 0.34687(12) 0.50730(18) 0.71321(12) 0.139(3) Uani 0.4054(14) d PDU 2
H97B H 0.3681 0.5012 0.7435 0.167 Uiso 0.4054(14) calc PR 2
C98B C 0.2881(3) 0.4954(3) 0.69096(19) 0.132(3) Uani 0.4054(14) d PDU 2
H98B H 0.2673 0.4827 0.7071 0.158 Uiso 0.4054(14) calc PR 2
N11A N 0.69687(8) 0.27911(6) 0.8792(3) 0.160(3) Uani 0.5946(14) d PDU 1
C111 C 0.73663(8) 0.25611(6) 0.8990(3) 0.160(4) Uani 0.5946(14) d PDU 1
H111 H 0.7794 0.2586 0.9014 0.192 Uiso 0.5946(14) calc PR 1
C112 C 0.71872(8) 0.22877(11) 0.9164(3) 0.166(4) Uani 0.5946(14) d PDU 1
H112 H 0.7486 0.2139 0.9333 0.199 Uiso 0.5946(14) calc PR 1
C113 C 0.65772(10) 0.22418(8) 0.9083(3) 0.161(4) Uani 0.5946(14) d PDU 1
H113 H 0.6436 0.2048 0.9176 0.193 Uiso 0.5946(14) calc PR 1
C114 C 0.61570(9) 0.24637(7) 0.8873(3) 0.156(3) Uani 0.5946(14) d PDU 1
H114 H 0.5727 0.2436 0.8841 0.188 Uiso 0.5946(14) calc PR 1
C115 C 0.63610(11) 0.27322(17) 0.8703(5) 0.157(3) Uani 0.5946(14) d PDU 1
H115 H 0.6064 0.2877 0.8522 0.188 Uiso 0.5946(14) calc PR 1
N11B N 0.68815(12) 0.27316(8) 0.87551(9) 0.160(3) Uani 0.4054(14) d PDU 2
C211 C 0.71392(14) 0.29340(8) 0.90911(11) 0.162(4) Uani 0.4054(14) d PDU 2
H211 H 0.7430 0.3086 0.9050 0.195 Uiso 0.4054(14) calc PR 2
C212 C 0.70049(14) 0.29344(9) 0.94957(11) 0.165(4) Uani 0.4054(14) d PDU 2
H212 H 0.7156 0.3097 0.9715 0.198 Uiso 0.4054(14) calc PR 2
C213 C 0.6654(3) 0.26969(10) 0.95653(12) 0.162(4) Uani 0.4054(14) d PDU 2
H213 H 0.6594 0.2675 0.9853 0.195 Uiso 0.4054(14) calc PR 2
C214 C 0.63827(19) 0.24874(11) 0.92356(12) 0.160(4) Uani 0.4054(14) d PDU 2
H214 H 0.6135 0.2318 0.9289 0.192 Uiso 0.4054(14) calc PR 2
C215 C 0.6471(4) 0.25224(19) 0.88169(16) 0.158(3) Uani 0.4054(14) d PDU 2
H215 H 0.6235 0.2396 0.8570 0.190 Uiso 0.4054(14) calc PR 2
N12A N 0.58545(12) 0.59954(10) 0.55952(11) 0.233(4) Uani 0.5946(14) d PDU 1
C121 C 0.61249(11) 0.61342(13) 0.59934(9) 0.236(5) Uani 0.5946(14) d PDU 1
H121 H 0.5944 0.6104 0.6229 0.283 Uiso 0.5946(14) calc PR 1
C122 C 0.66560(14) 0.63193(14) 0.60809(10) 0.237(5) Uani 0.5946(14) d PDU 1
H122 H 0.6874 0.6390 0.6378 0.284 Uiso 0.5946(14) calc PR 1
C123 C 0.6848(2) 0.63948(13) 0.57292(12) 0.237(5) Uani 0.5946(14) d PDU 1
H123 H 0.7172 0.6547 0.5767 0.284 Uiso 0.5946(14) calc PR 1
C124 C 0.65907(13) 0.62598(15) 0.53210(10) 0.233(5) Uani 0.5946(14) d PDU 1
H124 H 0.6735 0.6313 0.5074 0.280 Uiso 0.5946(14) calc PR 1
C125 C 0.6112(4) 0.6043(2) 0.52678(18) 0.232(4) Uani 0.5946(14) d PDU 1
H125 H 0.5965 0.5925 0.4994 0.278 Uiso 0.5946(14) calc PR 1
N12B N 0.58888(11) 0.58938(5) 0.53277(18) 0.233(4) Uani 0.4054(14) d PDU 2
C221 C 0.59602(13) 0.56477(6) 0.50784(18) 0.232(5) Uani 0.4054(14) d PDU 2
H221 H 0.6271 0.5661 0.4931 0.278 Uiso 0.4054(14) calc PR 2
C222 C 0.56058(11) 0.53738(7) 0.50230(16) 0.230(5) Uani 0.4054(14) d PDU 2
H222 H 0.5644 0.5210 0.4823 0.276 Uiso 0.4054(14) calc PR 2
C223 C 0.52086(18) 0.53497(6) 0.5262(2) 0.229(5) Uani 0.4054(14) d PDU 2
H223 H 0.4989 0.5156 0.5256 0.275 Uiso 0.4054(14) calc PR 2
C224 C 0.51121(15) 0.55945(8) 0.55111(19) 0.233(5) Uani 0.4054(14) d PDU 2
H224 H 0.4789 0.5585 0.5648 0.279 Uiso 0.4054(14) calc PR 2
C225 C 0.5491(4) 0.58600(14) 0.5565(3) 0.233(4) Uani 0.4054(14) d PDU 2
H225 H 0.5467 0.6021 0.5774 0.279 Uiso 0.4054(14) calc PR 2
N13A N 0.56743(9) 0.45063(7) 0.6627(3) 0.203(3) Uani 0.5946(14) d PDU 1
C131 C 0.50549(9) 0.45250(7) 0.6515(3) 0.204(3) Uani 0.5946(14) d PDU 1
H131 H 0.4814 0.4350 0.6364 0.244 Uiso 0.5946(14) calc PR 1
C132 C 0.47454(9) 0.47869(8) 0.6609(3) 0.204(3) Uani 0.5946(14) d PDU 1
H132 H 0.4303 0.4798 0.6512 0.244 Uiso 0.5946(14) calc PR 1
C133 C 0.50950(9) 0.50237(13) 0.6840(4) 0.208(5) Uani 0.5946(14) d PDU 1
H133 H 0.4899 0.5214 0.6890 0.250 Uiso 0.5946(14) calc PR 1
C134 C 0.57200(11) 0.49984(11) 0.7005(4) 0.208(5) Uani 0.5946(14) d PDU 1
H134 H 0.5960 0.5158 0.7198 0.250 Uiso 0.5946(14) calc PR 1
C135 C 0.60077(12) 0.4736(2) 0.6889(6) 0.204(4) Uani 0.5946(14) d PDU 1
H135 H 0.6450 0.4719 0.6997 0.245 Uiso 0.5946(14) calc PR 1
N13B N 0.57842(10) 0.4547(3) 0.68231(13) 0.203(3) Uani 0.4054(14) d PDU 2
C231 C 0.58265(10) 0.4589(4) 0.64088(14) 0.203(4) Uani 0.4054(14) d PDU 2
H231 H 0.6230 0.4591 0.6372 0.244 Uiso 0.4054(14) calc PR 2
C232 C 0.53139(11) 0.4631(5) 0.60295(13) 0.203(4) Uani 0.4054(14) d PDU 2
H232 H 0.5355 0.4640 0.5735 0.243 Uiso 0.4054(14) calc PR 2
C233 C 0.47590(14) 0.4658(4) 0.60949(15) 0.204(4) Uani 0.4054(14) d PDU 2
H233 H 0.4403 0.4707 0.5845 0.245 Uiso 0.4054(14) calc PR 2
C234 C 0.46937(12) 0.4617(5) 0.65072(16) 0.204(4) Uani 0.4054(14) d PDU 2
H234 H 0.4291 0.4614 0.6544 0.244 Uiso 0.4054(14) calc PR 2
C235 C 0.52229(19) 0.4581(6) 0.68766(15) 0.203(3) Uani 0.4054(14) d PDU 2
H235 H 0.5186 0.4579 0.7173 0.244 Uiso 0.4054(14) calc PR 2
N14 N 0.4948(3) 0.24191(10) 0.7745(2) 0.291(5) Uani 0.50 d PDU .
C141 C 0.5030(4) 0.24937(8) 0.7351(3) 0.290(6) Uani 0.50 d PDU .
H141 H 0.4984 0.2710 0.7257 0.348 Uiso 0.50 calc PR .
C142 C 0.5178(6) 0.22724(10) 0.7072(3) 0.290(6) Uani 0.50 d PDU .
H142 H 0.5229 0.2332 0.6791 0.348 Uiso 0.50 calc PR .
C143 C 0.5248(5) 0.19717(10) 0.7215(3) 0.289(6) Uani 0.50 d PDU .
H143 H 0.5302 0.1810 0.7018 0.347 Uiso 0.50 calc PR .
C144 C 0.5243(6) 0.18933(11) 0.7634(3) 0.293(6) Uani 0.50 d PDU .
H144 H 0.5340 0.1683 0.7744 0.351 Uiso 0.50 calc PR .
C145 C 0.5094(11) 0.21242(18) 0.7900(4) 0.291(6) Uani 0.50 d PDU .
H145 H 0.5095 0.2072 0.8198 0.349 Uiso 0.50 calc PR .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Ce1 Se8 88.78(8) . 2_556
N1 Ce1 Se5 91.97(8) . .
Se8 Ce1 Se5 177.62(3) 2_556 .
N1 Ce1 Se2 142.71(7) . .
Se8 Ce1 Se2 84.40(2) 2_556 .
Se5 Ce1 Se2 96.35(2) . .
N1 Ce1 Se14 79.30(8) . 2_556
Se8 Ce1 Se14 84.22(3) 2_556 2_556
Se5 Ce1 Se14 93.70(3) . 2_556
Se2 Ce1 Se14 135.91(3) . 2_556
N1 Ce1 Se12 77.64(9) . .
Se8 Ce1 Se12 99.37(3) 2_556 .
Se5 Ce1 Se12 83.00(3) . .
Se2 Ce1 Se12 67.48(2) . .
Se14 Ce1 Se12 156.57(3) 2_556 .
N1 Ce1 Se4 143.64(7) . 2_556
Se8 Ce1 Se4 93.52(2) 2_556 2_556
Se5 Ce1 Se4 84.53(2) . 2_556
Se2 Ce1 Se4 73.50(2) . 2_556
Se14 Ce1 Se4 64.89(2) 2_556 2_556
Se12 Ce1 Se4 137.21(2) . 2_556
N2 Ce2 Se5 90.14(6) . .
N2 Ce2 Se6 92.59(6) . .
Se5 Ce2 Se6 176.96(3) . .
N2 Ce2 Se1 142.24(6) . .
Se5 Ce2 Se1 83.68(2) . .
Se6 Ce2 Se1 94.95(2) . .
N2 Ce2 Se12 79.35(7) . .
Se5 Ce2 Se12 84.19(3) . .
Se6 Ce2 Se12 94.99(3) . .
Se1 Ce2 Se12 136.41(3) . .
N2 Ce2 Se11 76.93(7) . .
Se5 Ce2 Se11 98.76(3) . .
Se6 Ce2 Se11 83.17(3) . .
Se1 Ce2 Se11 67.37(2) . .
Se12 Ce2 Se11 156.09(3) . .
N2 Ce2 Se2 144.98(6) . .
Se5 Ce2 Se2 93.40(2) . .
Se6 Ce2 Se2 83.60(2) . .
Se1 Ce2 Se2 72.73(2) . .
Se12 Ce2 Se2 66.41(2) . .
Se11 Ce2 Se2 136.46(3) . .
N3 Ce3 Se6 92.54(11) . .
N3 Ce3 Se7 89.15(11) . .
Se6 Ce3 Se7 178.17(3) . .
N3 Ce3 Se3 143.57(10) . .
Se6 Ce3 Se3 83.24(2) . .
Se7 Ce3 Se3 95.80(2) . .
N3 Ce3 Se11 78.54(12) . .
Se6 Ce3 Se11 83.79(3) . .
Se7 Ce3 Se11 95.88(3) . .
Se3 Ce3 Se11 136.26(2) . .
N3 Ce3 Se13 78.75(12) . .
Se6 Ce3 Se13 97.57(3) . .
Se7 Ce3 Se13 83.44(3) . .
Se3 Ce3 Se13 66.10(2) . .
Se11 Ce3 Se13 157.28(3) . .
N3 Ce3 Se1 143.03(10) . .
Se6 Ce3 Se1 93.21(2) . .
Se7 Ce3 Se1 85.02(2) . .
Se3 Ce3 Se1 73.40(2) . .
Se11 Ce3 Se1 65.86(2) . .
Se13 Ce3 Se1 136.31(3) . .
N4 Ce4 Se7 89.47(10) . .
N4 Ce4 Se8 92.04(10) . .
Se7 Ce4 Se8 178.26(3) . .
N4 Ce4 Se4 142.13(9) . .
Se7 Ce4 Se4 83.28(2) . .
Se8 Ce4 Se4 96.03(2) . .
N4 Ce4 Se13 80.29(12) . .
Se7 Ce4 Se13 84.20(3) . .
Se8 Ce4 Se13 95.21(3) . .
Se4 Ce4 Se13 135.27(3) . .
N4 Ce4 Se14 78.08(12) . .
Se7 Ce4 Se14 97.71(3) . .
Se8 Ce4 Se14 83.44(3) . .
Se4 Ce4 Se14 66.26(2) . .
Se13 Ce4 Se14 158.25(3) . .
N4 Ce4 Se3 144.63(10) . .
Se7 Ce4 Se3 93.52(2) . .
Se8 Ce4 Se3 84.75(2) . .
Se4 Ce4 Se3 73.11(2) . .
Se13 Ce4 Se3 65.02(2) . .
Se14 Ce4 Se3 136.02(2) . .
N5 Ce5 Se5 73.97(9) . .
N5 Ce5 Se4 122.87(7) . 2_556
Se5 Ce5 Se4 88.74(3) . 2_556
N5 Ce5 Se25 69.85(13) . 2_556
Se5 Ce5 Se25 135.10(5) . 2_556
Se4 Ce5 Se25 89.19(8) 2_556 2_556
N5 Ce5 Se27 85.05(6) . .
Se5 Ce5 Se27 122.71(7) . .
Se4 Ce5 Se27 144.33(6) 2_556 .
Se25 Ce5 Se27 79.82(9) 2_556 .
N5 Ce5 Se10 130.12(9) . .
Se5 Ce5 Se10 155.81(3) . .
Se4 Ce5 Se10 79.32(3) 2_556 .
Se25 Ce5 Se10 66.28(6) 2_556 .
Se27 Ce5 Se10 65.16(6) . .
N5 Ce5 Se17 87.46(8) . .
Se5 Ce5 Se17 99.42(4) . .
Se4 Ce5 Se17 149.63(3) 2_556 .
Se25 Ce5 Se17 104.54(8) 2_556 .
Se27 Ce5 Se17 25.60(7) . .
Se10 Ce5 Se17 81.69(3) . .
N5 Ce5 Se1 144.41(12) . .
Se5 Ce5 Se1 81.23(2) . .
Se4 Ce5 Se1 80.88(2) 2_556 .
Se25 Ce5 Se1 142.34(6) 2_556 .
Se27 Ce5 Se1 87.38(5) . .
Se10 Ce5 Se1 76.18(2) . .
Se17 Ce5 Se1 71.67(3) . .
N5 Ce5 Se15 71.17(12) . 2_556
Se5 Ce5 Se15 133.29(4) . 2_556
Se4 Ce5 Se15 84.97(5) 2_556 2_556
Se25 Ce5 Se15 4.48(10) 2_556 2_556
Se27 Ce5 Se15 84.16(7) . 2_556
Se10 Ce5 Se15 66.98(4) . 2_556
Se17 Ce5 Se15 108.98(5) . 2_556
Se1 Ce5 Se15 142.37(4) . 2_556
N6 Ce6 Se7 73.55(7) . .
N6 Ce6 Se1 123.64(6) . .
Se7 Ce6 Se1 88.83(2) . .
N6 Ce6 Se15 83.19(8) . .
Se7 Ce6 Se15 116.70(4) . .
Se1 Ce6 Se15 148.59(5) . .
N6 Ce6 Se10 130.90(8) . .
Se7 Ce6 Se10 155.34(3) . .
Se1 Ce6 Se10 79.40(2) . .
Se15 Ce6 Se10 69.89(4) . .
N6 Ce6 Se17 68.46(6) . .
Se7 Ce6 Se17 117.06(4) . .
Se1 Ce6 Se17 73.90(3) . .
Se15 Ce6 Se17 106.47(5) . .
Se10 Ce6 Se17 80.56(3) . .
N6 Ce6 Se25 88.07(10) . .
Se7 Ce6 Se25 121.05(5) . .
Se1 Ce6 Se25 142.99(6) . .
Se15 Ce6 Se25 5.60(9) . .
Se10 Ce6 Se25 64.43(5) . .
Se17 Ce6 Se25 105.93(7) . .
N6 Ce6 Se4 143.33(6) . .
Se7 Ce6 Se4 80.86(2) . .
Se1 Ce6 Se4 80.76(2) . .
Se15 Ce6 Se4 85.42(5) . .
Se10 Ce6 Se4 75.93(2) . .
Se17 Ce6 Se4 148.10(3) . .
Se25 Ce6 Se4 83.03(7) . .
N6 Ce6 Se27 74.52(8) . .
Se7 Ce6 Se27 138.99(6) . .
Se1 Ce6 Se27 87.93(4) . .
Se15 Ce6 Se27 83.99(7) . .
Se10 Ce6 Se27 62.77(6) . .
Se17 Ce6 Se27 24.55(6) . .
Se25 Ce6 Se27 82.60(8) . .
Se4 Ce6 Se27 138.54(6) . .
N7 Ce7 Se8 72.79(7) . 2_556
N7 Ce7 Se3 122.47(7) . 2_556
Se8 Ce7 Se3 88.42(2) 2_556 2_556
N7 Ce7 Se18 88.75(8) . .
Se8 Ce7 Se18 102.23(4) 2_556 .
Se3 Ce7 Se18 148.78(4) 2_556 .
N7 Ce7 Se9 130.78(7) . .
Se8 Ce7 Se9 156.40(3) 2_556 .
Se3 Ce7 Se9 79.10(2) 2_556 .
Se18 Ce7 Se9 79.91(3) . .
N7 Ce7 Se28 84.20(7) . .
Se8 Ce7 Se28 112.75(5) 2_556 .
Se3 Ce7 Se28 150.85(4) 2_556 .
Se18 Ce7 Se28 13.54(5) . .
Se9 Ce7 Se28 73.79(4) . .
N7 Ce7 Se26 70.95(9) . .
Se8 Ce7 Se26 132.10(5) 2_556 .
Se3 Ce7 Se26 85.55(7) 2_556 .
Se18 Ce7 Se26 107.16(8) . .
Se9 Ce7 Se26 67.28(4) . .
Se28 Ce7 Se26 93.61(8) . .
N7 Ce7 Se16 71.46(9) . .
Se8 Ce7 Se16 133.87(4) 2_556 .
Se3 Ce7 Se16 86.94(5) 2_556 .
Se18 Ce7 Se16 105.14(7) . .
Se9 Ce7 Se16 65.91(4) . .
Se28 Ce7 Se16 91.60(7) . .
Se26 Ce7 Se16 2.15(10) . .
N7 Ce7 Se2 143.62(9) . .
Se8 Ce7 Se2 82.08(2) 2_556 .
Se3 Ce7 Se2 81.67(2) 2_556 .
Se18 Ce7 Se2 71.08(5) . .
Se9 Ce7 Se2 76.39(2) . .
Se28 Ce7 Se2 81.74(3) . .
Se26 Ce7 Se2 143.14(4) . .
Se16 Ce7 Se2 142.04(4) . .
N8 Ce8 Se6 74.53(7) . .
N8 Ce8 Se2 125.91(5) . .
Se6 Ce8 Se2 87.69(2) . .
N8 Ce8 Se18 70.24(7) . .
Se6 Ce8 Se18 116.33(5) . .
Se2 Ce8 Se18 73.44(5) . .
N8 Ce8 Se26 84.01(8) . 2_556
Se6 Ce8 Se26 119.97(7) . 2_556
Se2 Ce8 Se26 145.47(8) . 2_556
Se18 Ce8 Se26 107.07(7) . 2_556
N8 Ce8 Se9 130.05(7) . .
Se6 Ce8 Se9 155.31(3) . .
Se2 Ce8 Se9 78.83(2) . .
Se18 Ce8 Se9 79.68(5) . .
Se26 Ce8 Se9 67.64(7) 2_556 .
N8 Ce8 Se16 83.45(8) . 2_556
Se6 Ce8 Se16 121.85(5) . 2_556
Se2 Ce8 Se16 144.87(6) . 2_556
Se18 Ce8 Se16 104.77(6) . 2_556
Se26 Ce8 Se16 2.32(8) 2_556 2_556
Se9 Ce8 Se16 66.57(6) . 2_556
N8 Ce8 Se3 142.02(6) . .
Se6 Ce8 Se3 81.26(2) . .
Se2 Ce8 Se3 80.97(2) . .
Se18 Ce8 Se3 147.72(5) . .
Se26 Ce8 Se3 83.29(5) 2_556 .
Se9 Ce8 Se3 76.29(2) . .
Se16 Ce8 Se3 85.07(5) 2_556 .
N8 Ce8 Se28 70.50(7) . .
Se6 Ce8 Se28 127.18(5) . .
Se2 Ce8 Se28 82.25(3) . .
Se18 Ce8 Se28 12.89(5) . .
Se26 Ce8 Se28 94.44(6) 2_556 .
Se9 Ce8 Se28 71.71(5) . .
Se16 Ce8 Se28 92.13(6) 2_556 .
Se3 Ce8 Se28 146.12(4) . .
Se4 Ce9 Se4 123.48(3) . 2_556
Se4 Ce9 Se2 139.955(18) . .
Se4 Ce9 Se2 71.210(18) 2_556 .
Se4 Ce9 Se2 71.213(18) . 2_556
Se4 Ce9 Se2 139.958(18) 2_556 2_556
Se2 Ce9 Se2 124.15(3) . 2_556
Se4 Ce9 Se3 140.779(19) . 2_556
Se4 Ce9 Se3 70.690(19) 2_556 2_556
Se2 Ce9 Se3 77.635(19) . 2_556
Se2 Ce9 Se3 76.992(19) 2_556 2_556
Se4 Ce9 Se3 70.688(19) . .
Se4 Ce9 Se3 140.775(19) 2_556 .
Se2 Ce9 Se3 76.992(19) . .
Se2 Ce9 Se3 77.637(19) 2_556 .
Se3 Ce9 Se3 124.07(3) 2_556 .
Se4 Ce9 Se1 77.24(2) . 2_556
Se4 Ce9 Se1 76.96(2) 2_556 2_556
Se2 Ce9 Se1 140.948(17) . 2_556
Se2 Ce9 Se1 70.440(19) 2_556 2_556
Se3 Ce9 Se1 70.814(18) 2_556 2_556
Se3 Ce9 Se1 140.439(18) . 2_556
Se4 Ce9 Se1 76.96(2) . .
Se4 Ce9 Se1 77.23(2) 2_556 .
Se2 Ce9 Se1 70.439(19) . .
Se2 Ce9 Se1 140.949(17) 2_556 .
Se3 Ce9 Se1 140.438(18) 2_556 .
Se3 Ce9 Se1 70.813(18) . .
Se1 Ce9 Se1 123.72(3) 2_556 .
Ce6 Se1 Ce2 150.32(3) . .
Ce6 Se1 Ce3 90.37(2) . .
Ce2 Se1 Ce3 78.19(2) . .
Ce6 Se1 Ce5 87.25(2) . .
Ce2 Se1 Ce5 93.67(2) . .
Ce3 Se1 Ce5 158.75(3) . .
Ce6 Se1 Ce9 99.35(2) . .
Ce2 Se1 Ce9 110.10(2) . .
Ce3 Se1 Ce9 106.49(2) . .
Ce5 Se1 Ce9 94.73(2) . .
Ce8 Se2 Ce1 151.53(3) . .
Ce8 Se2 Ce7 87.63(2) . .
Ce1 Se2 Ce7 93.29(2) . .
Ce8 Se2 Ce2 91.35(2) . .
Ce1 Se2 Ce2 77.52(2) . .
Ce7 Se2 Ce2 158.34(3) . .
Ce8 Se2 Ce9 98.87(2) . .
Ce1 Se2 Ce9 109.38(2) . .
Ce7 Se2 Ce9 94.83(2) . .
Ce2 Se2 Ce9 106.69(2) . .
Ce7 Se3 Ce3 152.23(3) 2_556 .
Ce7 Se3 Ce8 87.71(2) 2_556 .
Ce3 Se3 Ce8 93.89(2) . .
Ce7 Se3 Ce4 90.66(2) 2_556 .
Ce3 Se3 Ce4 77.811(19) . .
Ce8 Se3 Ce4 158.40(3) . .
Ce7 Se3 Ce9 98.21(2) 2_556 .
Ce3 Se3 Ce9 109.22(2) . .
Ce8 Se3 Ce9 95.24(2) . .
Ce4 Se3 Ce9 106.31(2) . .
Ce5 Se4 Ce4 150.47(3) 2_556 .
Ce5 Se4 Ce6 87.37(2) 2_556 .
Ce4 Se4 Ce6 94.03(2) . .
Ce5 Se4 Ce1 90.51(2) 2_556 2_556
Ce4 Se4 Ce1 77.74(2) . 2_556
Ce6 Se4 Ce1 158.91(3) . 2_556
Ce5 Se4 Ce9 99.42(2) 2_556 .
Ce4 Se4 Ce9 109.80(3) . .
Ce6 Se4 Ce9 95.19(2) . .
Ce1 Se4 Ce9 105.85(2) 2_556 .
Ce5 Se5 Ce2 101.40(3) . .
Ce5 Se5 Ce1 95.99(3) . .
Ce2 Se5 Ce1 82.93(3) . .
Ce3 Se6 Ce8 101.59(3) . .
Ce3 Se6 Ce2 83.47(3) . .
Ce8 Se6 Ce2 97.07(2) . .
Ce4 Se7 Ce6 101.81(3) . .
Ce4 Se7 Ce3 83.48(2) . .
Ce6 Se7 Ce3 95.41(2) . .
Ce1 Se8 Ce7 100.21(2) 2_556 2_556
Ce1 Se8 Ce4 83.35(2) 2_556 .
Ce7 Se8 Ce4 95.98(3) 2_556 .
Ce7 Se9 Ce7 161.20(5) . 2_556
Ce7 Se9 Ce8 88.495(14) . 2_556
Ce7 Se9 Ce8 88.546(14) 2_556 2_556
Ce7 Se9 Ce8 88.542(14) . .
Ce7 Se9 Ce8 88.491(14) 2_556 .
Ce8 Se9 Ce8 161.79(5) 2_556 .
Ce7 Se9 Na1A 99.40(2) . .
Ce7 Se9 Na1A 99.40(2) 2_556 .
Ce8 Se9 Na1A 99.11(2) 2_556 .
Ce8 Se9 Na1A 99.11(2) . .
Ce5 Se10 Ce5 161.42(5) 2_556 .
Ce5 Se10 Ce6 88.504(15) 2_556 2_556
Ce5 Se10 Ce6 88.495(15) . 2_556
Ce5 Se10 Ce6 88.496(15) 2_556 .
Ce5 Se10 Ce6 88.505(15) . .
Ce6 Se10 Ce6 161.34(5) 2_556 .
Ce5 Se10 Na1B 99.29(2) 2_556 .
Ce5 Se10 Na1B 99.29(2) . .
Ce6 Se10 Na1B 99.33(2) 2_556 .
Ce6 Se10 Na1B 99.33(2) . .
C1 Se11 Ce2 112.9(3) . .
C1 Se11 Ce3 114.0(3) . .
Ce2 Se11 Ce3 78.23(2) . .
C6 C1 C2 118.1(8) . .
C6 C1 Se11 122.1(6) . .
C2 C1 Se11 119.8(7) . .
C3 C2 C1 121.0(10) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C4 C3 C2 119.1(10) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C5 C4 C3 121.6(10) . .
C5 C4 H4 119.2 . .
C3 C4 H4 119.2 . .
C4 C5 C6 119.0(10) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
C1 C6 C5 121.2(9) . .
C1 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C7 Se12 Ce2 111.2(3) . .
C7 Se12 Ce1 112.0(3) . .
Ce2 Se12 Ce1 77.54(2) . .
C12 C7 C8 119.6(9) . .
C12 C7 Se12 122.4(7) . .
C8 C7 Se12 118.0(8) . .
C7 C8 C9 120.8(10) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C10 C9 C8 116.7(10) . .
C10 C9 H9 121.6 . .
C8 C9 H9 121.6 . .
C11 C10 C9 123.4(11) . .
C11 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
C10 C11 C12 118.9(11) . .
C10 C11 H11 120.6 . .
C12 C11 H11 120.6 . .
C7 C12 C11 120.6(10) . .
C7 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C13 Se13 Ce4 113.0(4) . .
C13 Se13 Ce3 116.0(3) . .
Ce4 Se13 Ce3 77.99(2) . .
C18 C13 C14 118.8(8) . .
C18 C13 Se13 122.3(7) . .
C14 C13 Se13 118.9(7) . .
C15 C14 C13 122.5(10) . .
C15 C14 H14 118.7 . .
C13 C14 H14 118.7 . .
C14 C15 C16 115.5(10) . .
C14 C15 H15 122.2 . .
C16 C15 H15 122.2 . .
C17 C16 C15 122.2(12) . .
C17 C16 H16 118.9 . .
C15 C16 H16 118.9 . .
C16 C17 C18 118.2(11) . .
C16 C17 H17 120.9 . .
C18 C17 H17 120.9 . .
C13 C18 C17 119.9(10) . .
C13 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C19 Se14 Ce1 114.5(3) . 2_556
C19 Se14 Ce4 112.5(3) . .
Ce1 Se14 Ce4 78.01(2) 2_556 .
C24 C19 C20 118.9(7) . .
C24 C19 Se14 123.0(6) . .
C20 C19 Se14 117.6(6) . .
C21 C20 C19 122.0(9) . .
C21 C20 H20 119.0 . .
C19 C20 H20 119.0 . .
C20 C21 C22 116.6(9) . .
C20 C21 H21 121.7 . .
C22 C21 H21 121.7 . .
C23 C22 C21 123.5(9) . .
C23 C22 H22 118.2 . .
C21 C22 H22 118.2 . .
C22 C23 C24 118.4(9) . .
C22 C23 H23 120.8 . .
C24 C23 H23 120.8 . .
C19 C24 C23 120.4(9) . .
C19 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
C49 N1 C53 117.68(14) . .
C49 N1 Ce1 119.02(10) . .
C53 N1 Ce1 122.62(14) . .
N1 C49 C50 123.44(12) . .
N1 C49 H49 118.3 . .
C50 C49 H49 118.3 . .
C51 C50 C49 117.17(13) . .
C51 C50 H50 121.4 . .
C49 C50 H50 121.4 . .
C50 C51 C52 121.30(15) . .
C50 C51 H51 119.3 . .
C52 C51 H51 119.3 . .
C51 C52 C53 118.93(15) . .
C51 C52 H52 120.5 . .
C53 C52 H52 120.5 . .
N1 C53 C52 121.08(17) . .
N1 C53 H53 119.5 . .
C52 C53 H53 119.5 . .
C54 N2 C58 117.66(14) . .
C54 N2 Ce2 121.08(12) . .
C58 N2 Ce2 121.26(14) . .
N2 C54 C55 123.42(12) . .
N2 C54 H54 118.3 . .
C55 C54 H54 118.3 . .
C56 C55 C54 117.23(13) . .
C56 C55 H55 121.4 . .
C54 C55 H55 121.4 . .
C55 C56 C57 121.44(14) . .
C55 C56 H56 119.3 . .
C57 C56 H56 119.3 . .
C56 C57 C58 119.00(16) . .
C56 C57 H57 120.5 . .
C58 C57 H57 120.5 . .
N2 C58 C57 121.13(17) . .
N2 C58 H58 119.4 . .
C57 C58 H58 119.4 . .
C59 N3 C63 117.56(14) . .
C59 N3 Ce3 121.00(11) . .
C63 N3 Ce3 121.38(14) . .
N3 C59 C60 123.37(12) . .
N3 C59 H59 118.3 . .
C60 C59 H59 118.3 . .
C61 C60 C59 117.22(13) . .
C61 C60 H60 121.4 . .
C59 C60 H60 121.4 . .
C60 C61 C62 121.34(14) . .
C60 C61 H61 119.3 . .
C62 C61 H61 119.3 . .
C61 C62 C63 118.89(16) . .
C61 C62 H62 120.6 . .
C63 C62 H62 120.6 . .
N3 C63 C62 120.99(18) . .
N3 C63 H63 119.5 . .
C62 C63 H63 119.5 . .
C64 N4 C68 117.66(14) . .
C64 N4 Ce4 120.30(11) . .
C68 N4 Ce4 122.04(14) . .
N4 C64 C65 123.46(12) . .
N4 C64 H64 118.3 . .
C65 C64 H64 118.3 . .
C66 C65 C64 117.14(13) . .
C66 C65 H65 121.4 . .
C64 C65 H65 121.4 . .
C65 C66 C67 121.24(14) . .
C65 C66 H66 119.4 . .
C67 C66 H66 119.4 . .
C66 C67 C68 118.89(17) . .
C66 C67 H67 120.6 . .
C68 C67 H67 120.6 . .
N4 C68 C67 121.06(17) . .
N4 C68 H68 119.5 . .
C67 C68 H68 119.5 . .
C69 N5 C73 117.61(14) . .
C69 N5 Ce5 116.05(12) . .
C73 N5 Ce5 126.32(14) . .
N5 C69 C70 123.43(12) . .
N5 C69 H69 118.3 . .
C70 C69 H69 118.3 . .
C71 C70 C69 117.21(13) . .
C71 C70 H70 121.4 . .
C69 C70 H70 121.4 . .
C70 C71 C72 121.32(14) . .
C70 C71 H71 119.3 . .
C72 C71 H71 119.3 . .
C71 C72 C73 118.97(17) . .
C71 C72 H72 120.5 . .
C73 C72 H72 120.5 . .
N5 C73 C72 121.09(17) . .
N5 C73 H73 119.5 . .
C72 C73 H73 119.5 . .
C74 N6 C78 117.62(14) . .
C74 N6 Ce6 112.97(16) . .
C78 N6 Ce6 128.83(17) . .
N6 C74 C75 123.45(13) . .
N6 C74 H74 118.3 . .
C75 C74 H74 118.3 . .
C76 C75 C74 117.22(13) . .
C76 C75 H75 121.4 . .
C74 C75 H75 121.4 . .
C75 C76 C77 121.35(14) . .
C75 C76 H76 119.3 . .
C77 C76 H76 119.3 . .
C76 C77 C78 119.02(16) . .
C76 C77 H77 120.5 . .
C78 C77 H77 120.5 . .
N6 C78 C77 121.16(17) . .
N6 C78 H78 119.4 . .
C77 C78 H78 119.4 . .
C79 N7 C83 117.61(14) . .
C79 N7 Ce7 116.00(14) . .
C83 N7 Ce7 126.25(17) . .
N7 C79 C80 123.44(13) . .
N7 C79 H79 118.3 . .
C80 C79 H79 118.3 . .
C81 C80 C79 117.20(13) . .
C81 C80 H80 121.4 . .
C79 C80 H80 121.4 . .
C80 C81 C82 121.37(14) . .
C80 C81 H81 119.3 . .
C82 C81 H81 119.3 . .
C81 C82 C83 119.08(16) . .
C81 C82 H82 120.5 . .
C83 C82 H82 120.5 . .
N7 C83 C82 121.15(17) . .
N7 C83 H83 119.4 . .
C82 C83 H83 119.4 . .
C84 N8 C88 117.64(14) . .
C84 N8 Ce8 113.08(14) . .
C88 N8 Ce8 128.72(15) . .
N8 C84 C85 123.44(12) . .
N8 C84 H84 118.3 . .
C85 C84 H84 118.3 . .
C86 C85 C84 117.21(13) . .
C86 C85 H85 121.4 . .
C84 C85 H85 121.4 . .
C85 C86 C87 121.35(14) . .
C85 C86 H86 119.3 . .
C87 C86 H86 119.3 . .
C86 C87 C88 119.03(16) . .
C86 C87 H87 120.5 . .
C88 C87 H87 120.5 . .
N8 C88 C87 121.18(17) . .
N8 C88 H88 119.4 . .
C87 C88 H88 119.4 . .
Se9 Na1A Se26 63.06(18) . 2_556
Se9 Na1A Se26 63.06(18) . .
Se26 Na1A Se26 126.1(4) 2_556 .
Se9 Na1A N9A 130.68(16) . 2_556
Se26 Na1A N9A 158.3(2) 2_556 2_556
Se26 Na1A N9A 70.23(8) . 2_556
Se9 Na1A N9A 130.68(16) . .
Se26 Na1A N9A 70.23(8) 2_556 .
Se26 Na1A N9A 158.3(2) . .
N9A Na1A N9A 98.6(3) 2_556 .
C25A Se15 Ce6 112.1(2) . .
C25A Se15 Ce5 113.93(11) . 2_556
Ce6 Se15 Ce5 85.98(5) . 2_556
C26A C25A C30A 117.3(6) . .
C26A C25A Se15 121.3(5) . .
C30A C25A Se15 121.4(6) . .
C25A C26A C27A 125.1(8) . .
C25A C26A H26A 117.4 . .
C27A C26A H26A 117.4 . .
C26A C27A C28A 115.6(10) . .
C26A C27A H27A 122.2 . .
C28A C27A H27A 122.2 . .
C29A C28A C27A 121.6(10) . .
C29A C28A H28A 119.2 . .
C27A C28A H28A 119.2 . .
C28A C29A C30A 120.4(11) . .
C28A C29A H29A 119.8 . .
C30A C29A H29A 119.8 . .
C25A C30A C29A 119.9(10) . .
C25A C30A H30A 120.1 . .
C29A C30A H30A 120.1 . .
C31B Se26 Ce8 123.7(3) . 2_556
C31B Se26 Ce7 117.26(9) . .
Ce8 Se26 Ce7 87.65(8) 2_556 .
C31B Se26 Na1A 132.3(3) . .
Ce8 Se26 Na1A 92.38(13) 2_556 .
Ce7 Se26 Na1A 91.70(16) . .
C36B C31B C32B 121.7(6) . .
C36B C31B Se26 119.6(6) . .
C32B C31B Se26 118.8(6) . .
C33B C32B C31B 120.6(9) . .
C33B C32B H32B 119.7 . .
C31B C32B H32B 119.7 . .
C32B C33B C34B 116.9(10) . .
C32B C33B H33B 121.5 . .
C34B C33B H33B 121.5 . .
C35B C34B C33B 122.8(10) . .
C35B C34B H34B 118.6 . .
C33B C34B H34B 118.6 . .
C34B C35B C36B 120.4(12) . .
C34B C35B H35B 119.8 . .
C36B C35B H35B 119.8 . .
C31B C36B C35B 117.6(11) . .
C31B C36B H36B 121.2 . .
C35B C36B H36B 121.2 . .
C37A Se17 Ce5 115.3(2) . .
C37A Se17 Ce6 102.25(12) . .
Ce5 Se17 Ce6 86.92(4) . .
C42A C37A C38A 118.6(9) . .
C42A C37A Se17 122.1(6) . .
C38A C37A Se17 119.3(7) . .
C39A C38A C37A 121.7(10) . .
C39A C38A H38A 119.2 . .
C37A C38A H38A 119.2 . .
C38A C39A C40A 117.9(10) . .
C38A C39A H39A 121.0 . .
C40A C39A H39A 121.0 . .
C41A C40A C39A 121.9(11) . .
C41A C40A H40A 119.0 . .
C39A C40A H40A 119.0 . .
C40A C41A C42A 120.1(12) . .
C40A C41A H41A 119.9 . .
C42A C41A H41A 119.9 . .
C37A C42A C41A 119.7(10) . .
C37A C42A H42A 120.1 . .
C41A C42A H42A 120.1 . .
C43B Se28 Ce7 113.54(18) . .
C43B Se28 Ce8 122.49(12) . .
Ce7 Se28 Ce8 85.74(4) . .
C48B C43B C44B 118.5(9) . .
C48B C43B Se28 121.1(7) . .
C44B C43B Se28 120.4(6) . .
C43B C44B C45B 122.7(8) . .
C43B C44B H44B 118.6 . .
C45B C44B H44B 118.6 . .
C46B C45B C44B 117.4(11) . .
C46B C45B H45B 121.3 . .
C44B C45B H45B 121.3 . .
C47B C46B C45B 121.5(13) . .
C47B C46B H46B 119.2 . .
C45B C46B H46B 119.2 . .
C46B C47B C48B 120.2(12) . .
C46B C47B H47B 119.9 . .
C48B C47B H47B 119.9 . .
C43B C48B C47B 119.5(11) . .
C43B C48B H48B 120.2 . .
C47B C48B H48B 120.2 . .
C89A N9A C93A 117.48(14) . .
C89A N9A Na1A 120.27(14) . .
C93A N9A Na1A 120.51(19) . .
N9A C89A C90A 123.25(13) . .
N9A C89A H89A 118.4 . .
C90A C89A H89A 118.4 . .
C91A C90A C89A 117.06(13) . .
C91A C90A H90A 121.5 . .
C89A C90A H90A 121.5 . .
C90A C91A C92A 121.22(14) . .
C90A C91A H91A 119.4 . .
C92A C91A H91A 119.4 . .
C91A C92A C93A 118.90(16) . .
C91A C92A H92A 120.5 . .
C93A C92A H92A 120.5 . .
N9A C93A C92A 120.99(18) . .
N9A C93A H93A 119.5 . .
C92A C93A H93A 119.5 . .
C94A N10A C98A 117.38(14) . .
N10A C94A C95A 123.14(13) . .
N10A C94A H94A 118.4 . .
C95A C94A H94A 118.4 . .
C96A C95A C94A 116.97(13) . .
C96A C95A H95A 121.5 . .
C94A C95A H95A 121.5 . .
C95A C96A C97A 121.12(15) . .
C95A C96A H96A 119.4 . .
C97A C96A H96A 119.4 . .
C96A C97A C98A 118.77(16) . .
C96A C97A H97A 120.6 . .
C98A C97A H97A 120.6 . .
N10A C98A C97A 120.85(19) . .
N10A C98A H98A 119.6 . .
C97A C98A H98A 119.6 . .
Se27 Na1B Se27 121.2(4) 2_556 .
Se27 Na1B Se10 60.61(18) 2_556 .
Se27 Na1B Se10 60.61(18) . .
Se27 Na1B Se25 79.50(18) 2_556 2_556
Se27 Na1B Se25 72.19(17) . 2_556
Se10 Na1B Se25 60.18(18) . 2_556
Se27 Na1B Se25 72.19(17) 2_556 .
Se27 Na1B Se25 79.50(18) . .
Se10 Na1B Se25 60.18(18) . .
Se25 Na1B Se25 120.4(4) 2_556 .
Se27 Na1B N9B 96.98(7) 2_556 2_556
Se27 Na1B N9B 117.97(7) . 2_556
Se10 Na1B N9B 126.98(16) . 2_556
Se25 Na1B N9B 169.2(2) 2_556 2_556
Se25 Na1B N9B 67.42(9) . 2_556
Se27 Na1B N9B 117.97(7) 2_556 .
Se27 Na1B N9B 96.98(7) . .
Se10 Na1B N9B 126.98(16) . .
Se25 Na1B N9B 67.42(9) 2_556 .
Se25 Na1B N9B 169.2(2) . .
N9B Na1B N9B 106.0(3) 2_556 .
C25B Se25 Ce5 117.85(16) . 2_556
C25B Se25 Ce6 118.0(3) . .
Ce5 Se25 Ce6 87.45(9) 2_556 .
C25B Se25 Na1B 130.1(3) . .
Ce5 Se25 Na1B 98.10(15) 2_556 .
Ce6 Se25 Na1B 95.58(15) . .
C26B C25B C30B 117.3(7) . .
C26B C25B Se25 120.0(5) . .
C30B C25B Se25 122.7(8) . .
C25B C26B C27B 124.1(9) . .
C25B C26B H26B 118.0 . .
C27B C26B H26B 118.0 . .
C26B C27B C28B 116.7(12) . .
C26B C27B H27B 121.6 . .
C28B C27B H27B 121.6 . .
C29B C28B C27B 122.1(12) . .
C29B C28B H28B 118.9 . .
C27B C28B H28B 118.9 . .
C28B C29B C30B 118.9(13) . .
C28B C29B H29B 120.5 . .
C30B C29B H29B 120.5 . .
C25B C30B C29B 120.9(12) . .
C25B C30B H30B 119.5 . .
C29B C30B H30B 119.5 . .
C31A Se16 Ce8 108.9(2) . 2_556
C31A Se16 Ce7 110.05(12) . .
Ce8 Se16 Ce7 86.36(8) 2_556 .
C36A C31A C32A 113.4(8) . .
C36A C31A Se16 123.9(6) . .
C32A C31A Se16 122.7(7) . .
C33A C32A C31A 126.4(11) . .
C33A C32A H32A 116.8 . .
C31A C32A H32A 116.8 . .
C32A C33A C34A 117.8(10) . .
C32A C33A H33A 121.1 . .
C34A C33A H33A 121.1 . .
C35A C34A C33A 118.3(11) . .
C35A C34A H34A 120.8 . .
C33A C34A H34A 120.8 . .
C34A C35A C36A 122.2(13) . .
C34A C35A H35A 118.9 . .
C36A C35A H35A 118.9 . .
C31A C36A C35A 121.9(12) . .
C31A C36A H36A 119.0 . .
C35A C36A H36A 119.0 . .
C37B Se27 Ce5 109.7(2) . .
C37B Se27 Ce6 119.85(17) . .
Ce5 Se27 Ce6 86.20(6) . .
C37B Se27 Na1B 132.7(3) . .
Ce5 Se27 Na1B 100.68(16) . .
Ce6 Se27 Na1B 96.98(15) . .
C38B C37B C42B 122.4(11) . .
C38B C37B Se27 121.3(8) . .
C42B C37B Se27 116.3(7) . .
C37B C38B C39B 122.2(11) . .
C37B C38B H38B 118.9 . .
C39B C38B H38B 118.9 . .
C38B C39B C40B 115.0(12) . .
C38B C39B H39B 122.5 . .
C40B C39B H39B 122.5 . .
C41B C40B C39B 122.1(15) . .
C41B C40B H40B 118.9 . .
C39B C40B H40B 118.9 . .
C40B C41B C42B 123.2(14) . .
C40B C41B H41B 118.4 . .
C42B C41B H41B 118.4 . .
C37B C42B C41B 115.1(13) . .
C37B C42B H42B 122.5 . .
C41B C42B H42B 122.5 . .
C43A Se18 Ce7 114.3(2) . .
C43A Se18 Ce8 104.34(9) . .
Ce7 Se18 Ce8 89.28(6) . .
C48A C43A C44A 114.2(10) . .
C48A C43A Se18 123.4(7) . .
C44A C43A Se18 122.4(8) . .
C43A C44A C45A 124.1(10) . .
C43A C44A H44A 117.9 . .
C45A C44A H44A 117.9 . .
C46A C45A C44A 118.1(9) . .
C46A C45A H45A 121.0 . .
C44A C45A H45A 121.0 . .
C47A C46A C45A 120.9(13) . .
C47A C46A H46A 119.6 . .
C45A C46A H46A 119.6 . .
C46A C47A C48A 119.3(13) . .
C46A C47A H47A 120.4 . .
C48A C47A H47A 120.4 . .
C43A C48A C47A 123.5(13) . .
C43A C48A H48A 118.3 . .
C47A C48A H48A 118.3 . .
C89B N9B C93B 117.57(14) . .
C89B N9B Na1B 119.57(17) . .
C93B N9B Na1B 119.1(3) . .
N9B C89B C90B 123.36(13) . .
N9B C89B H89B 118.3 . .
C90B C89B H89B 118.3 . .
C91B C90B C89B 117.18(13) . .
C91B C90B H90B 121.4 . .
C89B C90B H90B 121.4 . .
C90B C91B C92B 121.32(14) . .
C90B C91B H91B 119.3 . .
C92B C91B H91B 119.3 . .
C91B C92B C93B 118.97(16) . .
C91B C92B H92B 120.5 . .
C93B C92B H92B 120.5 . .
N9B C93B C92B 121.08(18) . .
N9B C93B H93B 119.5 . .
C92B C93B H93B 119.5 . .
C94B N10B C98B 117.59(15) . .
N10B C94B C95B 123.35(13) . .
N10B C94B H94B 118.3 . .
C95B C94B H94B 118.3 . .
C96B C95B C94B 117.13(13) . .
C96B C95B H95B 121.4 . .
C94B C95B H95B 121.4 . .
C95B C96B C97B 121.27(15) . .
C95B C96B H96B 119.4 . .
C97B C96B H96B 119.4 . .
C96B C97B C98B 118.93(16) . .
C96B C97B H97B 120.5 . .
C98B C97B H97B 120.5 . .
N10B C98B C97B 121.09(18) . .
N10B C98B H98B 119.5 . .
C97B C98B H98B 119.5 . .
C111 N11A C115 117.43(15) . .
N11A C111 C112 123.25(13) . .
N11A C111 H111 118.4 . .
C112 C111 H111 118.4 . .
C113 C112 C111 117.15(14) . .
C113 C112 H112 121.4 . .
C111 C112 H112 121.4 . .
C112 C113 C114 121.35(14) . .
C112 C113 H113 119.3 . .
C114 C113 H113 119.3 . .
C113 C114 C115 118.94(16) . .
C113 C114 H114 120.5 . .
C115 C114 H114 120.5 . .
N11A C115 C114 120.96(19) . .
N11A C115 H115 119.5 . .
C114 C115 H115 119.5 . .
C211 N11B C215 117.48(15) . .
N11B C211 C212 123.28(13) . .
N11B C211 H211 118.4 . .
C212 C211 H211 118.4 . .
C213 C212 C211 117.11(14) . .
C213 C212 H212 121.4 . .
C211 C212 H212 121.4 . .
C212 C213 C214 121.26(14) . .
C212 C213 H213 119.4 . .
C214 C213 H213 119.4 . .
C213 C214 C215 118.87(17) . .
C213 C214 H214 120.6 . .
C215 C214 H214 120.6 . .
N11B C215 C214 120.96(18) . .
N11B C215 H215 119.5 . .
C214 C215 H215 119.5 . .
C121 N12A C125 117.48(15) . .
N12A C121 C122 123.21(13) . .
N12A C121 H121 118.4 . .
C122 C121 H121 118.4 . .
C123 C122 C121 117.05(13) . .
C123 C122 H122 121.5 . .
C121 C122 H122 121.5 . .
C122 C123 C124 121.19(15) . .
C122 C123 H123 119.4 . .
C124 C123 H123 119.4 . .
C123 C124 C125 118.87(16) . .
C123 C124 H124 120.6 . .
C125 C124 H124 120.6 . .
N12A C125 C124 121.00(18) . .
N12A C125 H125 119.5 . .
C124 C125 H125 119.5 . .
C221 N12B C225 117.54(14) . .
N12B C221 C222 123.37(12) . .
N12B C221 H221 118.3 . .
C222 C221 H221 118.3 . .
C223 C222 C221 117.16(13) . .
C223 C222 H222 121.4 . .
C221 C222 H222 121.4 . .
C222 C223 C224 121.27(14) . .
C222 C223 H223 119.4 . .
C224 C223 H223 119.4 . .
C223 C224 C225 118.87(16) . .
C223 C224 H224 120.6 . .
C225 C224 H224 120.6 . .
N12B C225 C224 120.98(19) . .
N12B C225 H225 119.5 . .
C224 C225 H225 119.5 . .
C131 N13A C135 117.53(15) . .
N13A C131 C132 123.30(13) . .
N13A C131 H131 118.4 . .
C132 C131 H131 118.4 . .
C133 C132 C131 117.14(13) . .
C133 C132 H132 121.4 . .
C131 C132 H132 121.4 . .
C132 C133 C134 121.31(15) . .
C132 C133 H133 119.3 . .
C134 C133 H133 119.3 . .
C133 C134 C135 118.96(17) . .
C133 C134 H134 120.5 . .
C135 C134 H134 120.5 . .
N13A C135 C134 121.05(17) . .
N13A C135 H135 119.5 . .
C134 C135 H135 119.5 . .
C231 N13B C235 117.51(16) . .
N13B C231 C232 123.33(14) . .
N13B C231 H231 118.3 . .
C232 C231 H231 118.3 . .
C233 C232 C231 117.16(14) . .
C233 C232 H232 121.4 . .
C231 C232 H232 121.4 . .
C232 C233 C234 121.31(17) . .
C232 C233 H233 119.3 . .
C234 C233 H233 119.3 . .
C233 C234 C235 118.92(18) . .
C233 C234 H234 120.5 . .
C235 C234 H234 120.5 . .
N13B C235 C234 121.0(2) . .
N13B C235 H235 119.5 . .
C234 C235 H235 119.5 . .
C141 N14 C145 117.48(16) . .
N14 C141 C142 123.26(14) . .
N14 C141 H141 118.4 . .
C142 C141 H141 118.4 . .
C143 C142 C141 117.11(14) . .
C143 C142 H142 121.4 . .
C141 C142 H142 121.4 . .
C142 C143 C144 121.28(16) . .
C142 C143 H143 119.4 . .
C144 C143 H143 119.4 . .
C143 C144 C145 118.91(17) . .
C143 C144 H144 120.5 . .
C145 C144 H144 120.5 . .
N14 C145 C144 120.99(19) . .
N14 C145 H145 119.5 . .
C144 C145 H145 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 N1 2.588(2) .
Ce1 Se8 2.9040(9) 2_556
Ce1 Se5 2.9241(10) .
Ce1 Se2 3.0132(8) .
Ce1 Se14 3.0670(9) 2_556
Ce1 Se12 3.1170(10) .
Ce1 Se4 3.1557(8) 2_556
Ce2 N2 2.578(3) .
Ce2 Se5 2.9156(9) .
Ce2 Se6 2.9351(9) .
Ce2 Se1 3.0157(9) .
Ce2 Se12 3.0575(10) .
Ce2 Se11 3.0748(9) .
Ce2 Se2 3.1601(8) .
Ce3 N3 2.5991(17) .
Ce3 Se6 2.8951(10) .
Ce3 Se7 2.9208(10) .
Ce3 Se3 3.0279(8) .
Ce3 Se11 3.0772(9) .
Ce3 Se13 3.0983(9) .
Ce3 Se1 3.1370(8) .
Ce4 N4 2.597(2) .
Ce4 Se7 2.9072(9) .
Ce4 Se8 2.9250(9) .
Ce4 Se4 3.0180(8) .
Ce4 Se13 3.0678(11) .
Ce4 Se14 3.0909(11) .
Ce4 Se3 3.1483(8) .
Ce5 N5 2.667(2) .
Ce5 Se5 2.9090(10) .
Ce5 Se4 2.9435(9) 2_556
Ce5 Se25 2.977(4) 2_556
Ce5 Se27 2.989(2) .
Ce5 Se10 3.0144(5) .
Ce5 Se17 3.0342(12) .
Ce5 Se1 3.1626(8) .
Ce5 Se15 3.204(3) 2_556
Ce6 N6 2.679(2) .
Ce6 Se7 2.9117(9) .
Ce6 Se1 2.9418(9) .
Ce6 Se15 2.971(2) .
Ce6 Se10 3.0253(5) .
Ce6 Se17 3.0930(12) .
Ce6 Se25 3.118(4) .
Ce6 Se4 3.1540(8) .
Ce6 Se27 3.1764(19) .
Ce7 N7 2.656(2) .
Ce7 Se8 2.9195(9) 2_556
Ce7 Se3 2.9555(8) 2_556
Ce7 Se18 3.000(3) .
Ce7 Se9 3.0154(5) .
Ce7 Se28 3.0312(18) .
Ce7 Se26 3.064(3) .
Ce7 Se16 3.113(3) .
Ce7 Se2 3.1306(8) .
Ce8 N8 2.695(2) .
Ce8 Se6 2.9104(9) .
Ce8 Se2 2.9594(8) .
Ce8 Se18 3.0031(18) .
Ce8 Se26 3.025(2) 2_556
Ce8 Se9 3.0274(5) .
Ce8 Se16 3.049(2) 2_556
Ce8 Se3 3.1276(8) .
Ce8 Se28 3.1674(17) .
Ce9 Se4 3.1712(7) .
Ce9 Se4 3.1712(7) 2_556
Ce9 Se2 3.1719(8) .
Ce9 Se2 3.1719(8) 2_556
Ce9 Se3 3.1802(7) 2_556
Ce9 Se3 3.1803(7) .
Ce9 Se1 3.1806(8) 2_556
Ce9 Se1 3.1807(8) .
Se3 Ce7 2.9553(8) 2_556
Se4 Ce5 2.9436(9) 2_556
Se4 Ce1 3.1557(8) 2_556
Se8 Ce1 2.9040(9) 2_556
Se8 Ce7 2.9195(9) 2_556
Se9 Ce7 3.0154(5) 2_556
Se9 Ce8 3.0273(5) 2_556
Se9 Na1A 3.047(12) .
Se10 Ce5 3.0144(5) 2_556
Se10 Ce6 3.0253(5) 2_556
Se10 Na1B 3.221(11) .
Se11 C1 1.930(8) .
C1 C6 1.381(10) .
C1 C2 1.398(10) .
C2 C3 1.387(11) .
C2 H2 0.9500 .
C3 C4 1.384(12) .
C3 H3 0.9500 .
C4 C5 1.355(11) .
C4 H4 0.9500 .
C5 C6 1.408(10) .
C5 H5 0.9500 .
C6 H6 0.9500 .
Se12 C7 1.931(8) .
C7 C12 1.357(11) .
C7 C8 1.377(10) .
C8 C9 1.418(11) .
C8 H8 0.9500 .
C9 C10 1.383(12) .
C9 H9 0.9500 .
C10 C11 1.332(11) .
C10 H10 0.9500 .
C11 C12 1.412(11) .
C11 H11 0.9500 .
C12 H12 0.9500 .
Se13 C13 1.919(8) .
C13 C18 1.366(11) .
C13 C14 1.378(10) .
C14 C15 1.378(10) .
C14 H14 0.9500 .
C15 C16 1.387(12) .
C15 H15 0.9500 .
C16 C17 1.347(12) .
C16 H16 0.9500 .
C17 C18 1.396(11) .
C17 H17 0.9500 .
C18 H18 0.9500 .
Se14 C19 1.930(7) .
Se14 Ce1 3.0670(9) 2_556
C19 C24 1.356(10) .
C19 C20 1.401(10) .
C20 C21 1.376(9) .
C20 H20 0.9500 .
C21 C22 1.383(11) .
C21 H21 0.9500 .
C22 C23 1.349(11) .
C22 H22 0.9500 .
C23 C24 1.411(10) .
C23 H23 0.9500 .
C24 H24 0.9500 .
N1 C49 1.3322(13) .
N1 C53 1.334(2) .
C49 C50 1.3820(16) .
C49 H49 0.9500 .
C50 C51 1.3332(16) .
C50 H50 0.9500 .
C51 C52 1.3458(17) .
C51 H51 0.9500 .
C52 C53 1.384(2) .
C52 H52 0.9500 .
C53 H53 0.9500 .
N2 C54 1.3321(13) .
N2 C58 1.334(2) .
C54 C55 1.3820(16) .
C54 H54 0.9500 .
C55 C56 1.3329(16) .
C55 H55 0.9500 .
C56 C57 1.3454(17) .
C56 H56 0.9500 .
C57 C58 1.384(2) .
C57 H57 0.9500 .
C58 H58 0.9500 .
N3 C59 1.3325(13) .
N3 C63 1.334(2) .
C59 C60 1.3820(16) .
C59 H59 0.9500 .
C60 C61 1.3331(16) .
C60 H60 0.9500 .
C61 C62 1.3459(17) .
C61 H61 0.9500 .
C62 C63 1.384(2) .
C62 H62 0.9500 .
C63 H63 0.9500 .
N4 C64 1.3322(13) .
N4 C68 1.334(2) .
C64 C65 1.3821(16) .
C64 H64 0.9500 .
C65 C66 1.3333(16) .
C65 H65 0.9500 .
C66 C67 1.3458(17) .
C66 H66 0.9500 .
C67 C68 1.384(2) .
C67 H67 0.9500 .
C68 H68 0.9500 .
N5 C69 1.3323(13) .
N5 C73 1.334(2) .
C69 C70 1.3820(16) .
C69 H69 0.9500 .
C70 C71 1.3332(16) .
C70 H70 0.9500 .
C71 C72 1.3457(17) .
C71 H71 0.9500 .
C72 C73 1.384(2) .
C72 H72 0.9500 .
C73 H73 0.9500 .
N6 C74 1.3323(13) .
N6 C78 1.334(2) .
C74 C75 1.3819(16) .
C74 H74 0.9500 .
C75 C76 1.3330(16) .
C75 H75 0.9500 .
C76 C77 1.3455(17) .
C76 H76 0.9500 .
C77 C78 1.384(2) .
C77 H77 0.9500 .
C78 H78 0.9500 .
N7 C79 1.3323(13) .
N7 C83 1.334(2) .
C79 C80 1.3821(16) .
C79 H79 0.9500 .
C80 C81 1.3331(16) .
C80 H80 0.9500 .
C81 C82 1.3455(17) .
C81 H81 0.9500 .
C82 C83 1.383(2) .
C82 H82 0.9500 .
C83 H83 0.9500 .
N8 C84 1.3323(13) .
N8 C88 1.334(2) .
C84 C85 1.3819(16) .
C84 H84 0.9500 .
C85 C86 1.3331(16) .
C85 H85 0.9500 .
C86 C87 1.3455(17) .
C86 H86 0.9500 .
C87 C88 1.383(2) .
C87 H87 0.9500 .
C88 H88 0.9500 .
Na1A Se26 3.372(6) 2_556
Na1A Se26 3.372(6) .
Na1A N9A 3.373(8) 2_556
Na1A N9A 3.373(8) .
Se15 C25A 1.926(4) .
Se15 Ce5 3.204(3) 2_556
C25A C26A 1.367(9) .
C25A C30A 1.375(11) .
C26A C27A 1.376(9) .
C26A H26A 0.9500 .
C27A C28A 1.400(12) .
C27A H27A 0.9500 .
C28A C29A 1.347(12) .
C28A H28A 0.9500 .
C29A C30A 1.404(11) .
C29A H29A 0.9500 .
C30A H30A 0.9500 .
Se26 C31B 1.899(4) .
Se26 Ce8 3.025(2) 2_556
C31B C36B 1.364(11) .
C31B C32B 1.395(9) .
C32B C33B 1.375(8) .
C32B H32B 0.9500 .
C33B C34B 1.399(13) .
C33B H33B 0.9500 .
C34B C35B 1.343(12) .
C34B H34B 0.9500 .
C35B C36B 1.408(11) .
C35B H35B 0.9500 .
C36B H36B 0.9500 .
Se17 C37A 1.875(8) .
C37A C42A 1.382(11) .
C37A C38A 1.395(9) .
C38A C39A 1.382(11) .
C38A H38A 0.9500 .
C39A C40A 1.398(12) .
C39A H39A 0.9500 .
C40A C41A 1.335(11) .
C40A H40A 0.9500 .
C41A C42A 1.414(12) .
C41A H41A 0.9500 .
C42A H42A 0.9500 .
Se28 C43B 1.907(9) .
C43B C48B 1.375(11) .
C43B C44B 1.387(9) .
C44B C45B 1.388(12) .
C44B H44B 0.9500 .
C45B C46B 1.388(12) .
C45B H45B 0.9500 .
C46B C47B 1.354(12) .
C46B H46B 0.9500 .
C47B C48B 1.417(13) .
C47B H47B 0.9500 .
C48B H48B 0.9500 .
N9A C89A 1.3328(13) .
N9A C93A 1.334(2) .
C89A C90A 1.3824(16) .
C89A H89A 0.9500 .
C90A C91A 1.3334(16) .
C90A H90A 0.9500 .
C91A C92A 1.3459(17) .
C91A H91A 0.9500 .
C92A C93A 1.384(2) .
C92A H92A 0.9500 .
C93A H93A 0.9500 .
N10A C94A 1.3330(13) .
N10A C98A 1.335(2) .
C94A C95A 1.3827(16) .
C94A H94A 0.9500 .
C95A C96A 1.3337(16) .
C95A H95A 0.9500 .
C96A C97A 1.3463(17) .
C96A H96A 0.9500 .
C97A C98A 1.384(2) .
C97A H97A 0.9500 .
C98A H98A 0.9500 .
Na1B Se27 3.185(6) 2_556
Na1B Se27 3.185(6) .
Na1B Se25 3.310(6) 2_556
Na1B Se25 3.310(6) .
Na1B N9B 3.412(7) 2_556
Na1B N9B 3.412(7) .
Se25 C25B 1.919(4) .
Se25 Ce5 2.977(4) 2_556
C25B C26B 1.370(10) .
C25B C30B 1.371(12) .
C26B C27B 1.381(10) .
C26B H26B 0.9500 .
C27B C28B 1.383(13) .
C27B H27B 0.9500 .
C28B C29B 1.353(13) .
C28B H28B 0.9500 .
C29B C30B 1.415(12) .
C29B H29B 0.9500 .
C30B H30B 0.9500 .
Se16 C31A 1.935(6) .
Se16 Ce8 3.049(2) 2_556
C31A C36A 1.381(12) .
C31A C32A 1.397(8) .
C32A C33A 1.390(10) .
C32A H32A 0.9500 .
C33A C34A 1.392(14) .
C33A H33A 0.9500 .
C34A C35A 1.361(12) .
C34A H34A 0.9500 .
C35A C36A 1.416(12) .
C35A H35A 0.9500 .
C36A H36A 0.9500 .
Se27 C37B 1.876(9) .
C37B C38B 1.369(9) .
C37B C42B 1.384(12) .
C38B C39B 1.389(13) .
C38B H38B 0.9500 .
C39B C40B 1.405(14) .
C39B H39B 0.9500 .
C40B C41B 1.345(13) .
C40B H40B 0.9500 .
C41B C42B 1.389(13) .
C41B H41B 0.9500 .
C42B H42B 0.9500 .
Se18 C43A 1.933(9) .
C43A C48A 1.359(12) .
C43A C44A 1.380(9) .
C44A C45A 1.383(12) .
C44A H44A 0.9500 .
C45A C46A 1.375(13) .
C45A H45A 0.9500 .
C46A C47A 1.319(13) .
C46A H46A 0.9500 .
C47A C48A 1.411(13) .
C47A H47A 0.9500 .
C48A H48A 0.9500 .
N9B C89B 1.3324(13) .
N9B C93B 1.334(2) .
C89B C90B 1.3821(16) .
C89B H89B 0.9500 .
C90B C91B 1.3332(16) .
C90B H90B 0.9500 .
C91B C92B 1.3456(17) .
C91B H91B 0.9500 .
C92B C93B 1.384(2) .
C92B H92B 0.9500 .
C93B H93B 0.9500 .
N10B C94B 1.3324(13) .
N10B C98B 1.334(2) .
C94B C95B 1.3822(16) .
C94B H94B 0.9500 .
C95B C96B 1.3333(16) .
C95B H95B 0.9500 .
C96B C97B 1.3458(18) .
C96B H96B 0.9500 .
C97B C98B 1.384(2) .
C97B H97B 0.9500 .
C98B H98B 0.9500 .
N11A C111 1.3327(13) .
N11A C115 1.334(2) .
C111 C112 1.3823(16) .
C111 H111 0.9500 .
C112 C113 1.3331(16) .
C112 H112 0.9500 .
C113 C114 1.3457(17) .
C113 H113 0.9500 .
C114 C115 1.384(2) .
C114 H114 0.9500 .
C115 H115 0.9500 .
N11B C211 1.3327(13) .
N11B C215 1.334(2) .
C211 C212 1.3823(16) .
C211 H211 0.9500 .
C212 C213 1.3333(16) .
C212 H212 0.9500 .
C213 C214 1.3459(17) .
C213 H213 0.9500 .
C214 C215 1.384(2) .
C214 H214 0.9500 .
C215 H215 0.9500 .
N12A C121 1.3327(13) .
N12A C125 1.334(2) .
C121 C122 1.3825(16) .
C121 H121 0.9500 .
C122 C123 1.3335(16) .
C122 H122 0.9500 .
C123 C124 1.3460(17) .
C123 H123 0.9500 .
C124 C125 1.384(2) .
C124 H124 0.9500 .
C125 H125 0.9500 .
N12B C221 1.3325(13) .
N12B C225 1.334(2) .
C221 C222 1.3821(16) .
C221 H221 0.9500 .
C222 C223 1.3332(16) .
C222 H222 0.9500 .
C223 C224 1.3459(17) .
C223 H223 0.9500 .
C224 C225 1.384(2) .
C224 H224 0.9500 .
C225 H225 0.9500 .
N13A C131 1.3326(13) .
N13A C135 1.334(2) .
C131 C132 1.3823(16) .
C131 H131 0.9500 .
C132 C133 1.3332(16) .
C132 H132 0.9500 .
C133 C134 1.3457(17) .
C133 H133 0.9500 .
C134 C135 1.384(2) .
C134 H134 0.9500 .
C135 H135 0.9500 .
N13B C231 1.3326(14) .
N13B C235 1.334(2) .
C231 C232 1.3822(16) .
C231 H231 0.9500 .
C232 C233 1.3332(16) .
C232 H232 0.9500 .
C233 C234 1.3458(18) .
C233 H233 0.9500 .
C234 C235 1.384(2) .
C234 H234 0.9500 .
C235 H235 0.9500 .
N14 C141 1.3327(14) .
N14 C145 1.334(2) .
C141 C142 1.3824(16) .
C141 H141 0.9500 .
C142 C143 1.3333(16) .
C142 H142 0.9500 .
C143 C144 1.3458(17) .
C143 H143 0.9500 .
C144 C145 1.384(2) .
C144 H144 0.9500 .
C145 H145 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N6 Ce6 Se1 Ce2 -1.52(11) . .
Se7 Ce6 Se1 Ce2 -70.80(6) . .
Se15 Ce6 Se1 Ce2 143.21(9) . .
Se10 Ce6 Se1 Ce2 130.98(6) . .
Se17 Ce6 Se1 Ce2 47.85(6) . .
Se25 Ce6 Se1 Ce2 143.11(11) . .
Se4 Ce6 Se1 Ce2 -151.73(6) . .
Se27 Ce6 Se1 Ce2 68.31(8) . .
N6 Ce6 Se1 Ce3 64.77(9) . .
Se7 Ce6 Se1 Ce3 -4.51(2) . .
Se15 Ce6 Se1 Ce3 -150.49(9) . .
Se10 Ce6 Se1 Ce3 -162.73(2) . .
Se17 Ce6 Se1 Ce3 114.14(3) . .
Se25 Ce6 Se1 Ce3 -150.60(11) . .
Se4 Ce6 Se1 Ce3 -85.44(2) . .
Se27 Ce6 Se1 Ce3 134.60(6) . .
N6 Ce6 Se1 Ce5 -94.11(9) . .
Se7 Ce6 Se1 Ce5 -163.39(2) . .
Se15 Ce6 Se1 Ce5 50.63(9) . .
Se10 Ce6 Se1 Ce5 38.40(2) . .
Se17 Ce6 Se1 Ce5 -44.73(3) . .
Se25 Ce6 Se1 Ce5 50.53(11) . .
Se4 Ce6 Se1 Ce5 115.69(2) . .
Se27 Ce6 Se1 Ce5 -24.28(6) . .
N6 Ce6 Se1 Ce9 171.55(8) . .
Se7 Ce6 Se1 Ce9 102.27(2) . .
Se15 Ce6 Se1 Ce9 -43.71(9) . .
Se10 Ce6 Se1 Ce9 -55.94(2) . .
Se17 Ce6 Se1 Ce9 -139.08(3) . .
Se25 Ce6 Se1 Ce9 -43.81(11) . .
Se4 Ce6 Se1 Ce9 21.34(2) . .
Se27 Ce6 Se1 Ce9 -118.62(6) . .
N2 Ce2 Se1 Ce6 -8.19(13) . .
Se5 Ce2 Se1 Ce6 -90.20(6) . .
Se6 Ce2 Se1 Ce6 92.53(6) . .
Se12 Ce2 Se1 Ce6 -164.89(5) . .
Se11 Ce2 Se1 Ce6 12.05(6) . .
Se2 Ce2 Se1 Ce6 174.25(6) . .
N2 Ce2 Se1 Ce3 -77.47(11) . .
Se5 Ce2 Se1 Ce3 -159.48(2) . .
Se6 Ce2 Se1 Ce3 23.24(2) . .
Se12 Ce2 Se1 Ce3 125.82(4) . .
Se11 Ce2 Se1 Ce3 -57.24(2) . .
Se2 Ce2 Se1 Ce3 104.96(2) . .
N2 Ce2 Se1 Ce5 82.70(11) . .
Se5 Ce2 Se1 Ce5 0.69(2) . .
Se6 Ce2 Se1 Ce5 -176.59(2) . .
Se12 Ce2 Se1 Ce5 -74.01(4) . .
Se11 Ce2 Se1 Ce5 102.94(3) . .
Se2 Ce2 Se1 Ce5 -94.87(2) . .
N2 Ce2 Se1 Ce9 179.09(11) . .
Se5 Ce2 Se1 Ce9 97.08(3) . .
Se6 Ce2 Se1 Ce9 -80.19(3) . .
Se12 Ce2 Se1 Ce9 22.39(5) . .
Se11 Ce2 Se1 Ce9 -160.67(3) . .
Se2 Ce2 Se1 Ce9 1.53(2) . .
N3 Ce3 Se1 Ce6 -77.4(2) . .
Se6 Ce3 Se1 Ce6 -175.94(2) . .
Se7 Ce3 Se1 Ce6 4.51(2) . .
Se3 Ce3 Se1 Ce6 102.09(2) . .
Se11 Ce3 Se1 Ce6 -94.21(3) . .
Se13 Ce3 Se1 Ce6 79.61(4) . .
N3 Ce3 Se1 Ce2 75.0(2) . .
Se6 Ce3 Se1 Ce2 -23.53(2) . .
Se7 Ce3 Se1 Ce2 156.93(2) . .
Se3 Ce3 Se1 Ce2 -105.50(2) . .
Se11 Ce3 Se1 Ce2 58.20(2) . .
Se13 Ce3 Se1 Ce2 -127.98(4) . .
N3 Ce3 Se1 Ce5 5.9(2) . .
Se6 Ce3 Se1 Ce5 -92.60(8) . .
Se7 Ce3 Se1 Ce5 87.85(8) . .
Se3 Ce3 Se1 Ce5 -174.57(8) . .
Se11 Ce3 Se1 Ce5 -10.87(8) . .
Se13 Ce3 Se1 Ce5 162.95(7) . .
N3 Ce3 Se1 Ce9 -177.3(2) . .
Se6 Ce3 Se1 Ce9 84.19(3) . .
Se7 Ce3 Se1 Ce9 -95.36(3) . .
Se3 Ce3 Se1 Ce9 2.22(2) . .
Se11 Ce3 Se1 Ce9 165.92(3) . .
Se13 Ce3 Se1 Ce9 -20.26(5) . .
N5 Ce5 Se1 Ce6 103.66(8) . .
Se5 Ce5 Se1 Ce6 149.60(3) . .
Se4 Ce5 Se1 Ce6 -120.28(2) 2_556 .
Se25 Ce5 Se1 Ce6 -43.65(13) 2_556 .
Se27 Ce5 Se1 Ce6 25.93(6) . .
Se10 Ce5 Se1 Ce6 -39.12(2) . .
Se17 Ce5 Se1 Ce6 46.56(3) . .
Se15 Ce5 Se1 Ce6 -50.99(7) 2_556 .
N5 Ce5 Se1 Ce2 -46.62(8) . .
Se5 Ce5 Se1 Ce2 -0.69(2) . .
Se4 Ce5 Se1 Ce2 89.43(2) 2_556 .
Se25 Ce5 Se1 Ce2 166.06(12) 2_556 .
Se27 Ce5 Se1 Ce2 -124.36(6) . .
Se10 Ce5 Se1 Ce2 170.59(3) . .
Se17 Ce5 Se1 Ce2 -103.73(3) . .
Se15 Ce5 Se1 Ce2 158.72(7) 2_556 .
N5 Ce5 Se1 Ce3 19.74(13) . .
Se5 Ce5 Se1 Ce3 65.67(8) . .
Se4 Ce5 Se1 Ce3 155.80(8) 2_556 .
Se25 Ce5 Se1 Ce3 -127.57(14) 2_556 .
Se27 Ce5 Se1 Ce3 -58.00(10) . .
Se10 Ce5 Se1 Ce3 -123.05(8) . .
Se17 Ce5 Se1 Ce3 -37.36(8) . .
Se15 Ce5 Se1 Ce3 -134.91(9) 2_556 .
N5 Ce5 Se1 Ce9 -157.17(8) . .
Se5 Ce5 Se1 Ce9 -111.24(3) . .
Se4 Ce5 Se1 Ce9 -21.11(2) 2_556 .
Se25 Ce5 Se1 Ce9 55.51(12) 2_556 .
Se27 Ce5 Se1 Ce9 125.09(6) . .
Se10 Ce5 Se1 Ce9 60.04(2) . .
Se17 Ce5 Se1 Ce9 145.73(3) . .
Se15 Ce5 Se1 Ce9 48.18(7) 2_556 .
Se4 Ce9 Se1 Ce6 -21.51(2) . .
Se4 Ce9 Se1 Ce6 107.77(2) 2_556 .
Se2 Ce9 Se1 Ce6 -177.90(3) . .
Se2 Ce9 Se1 Ce6 -57.40(4) 2_556 .
Se3 Ce9 Se1 Ce6 144.00(3) 2_556 .
Se3 Ce9 Se1 Ce6 -95.32(2) . .
Se1 Ce9 Se1 Ce6 43.193(15) 2_556 .
Se4 Ce9 Se1 Ce2 154.84(3) . .
Se4 Ce9 Se1 Ce2 -75.88(3) 2_556 .
Se2 Ce9 Se1 Ce2 -1.54(2) . .
Se2 Ce9 Se1 Ce2 118.96(4) 2_556 .
Se3 Ce9 Se1 Ce2 -39.65(5) 2_556 .
Se3 Ce9 Se1 Ce2 81.03(3) . .
Se1 Ce9 Se1 Ce2 -140.45(3) 2_556 .
Se4 Ce9 Se1 Ce3 71.67(3) . .
Se4 Ce9 Se1 Ce3 -159.05(3) 2_556 .
Se2 Ce9 Se1 Ce3 -84.71(2) . .
Se2 Ce9 Se1 Ce3 35.78(5) 2_556 .
Se3 Ce9 Se1 Ce3 -122.82(3) 2_556 .
Se3 Ce9 Se1 Ce3 -2.14(2) . .
Se1 Ce9 Se1 Ce3 136.37(2) 2_556 .
Se4 Ce9 Se1 Ce5 -109.50(2) . .
Se4 Ce9 Se1 Ce5 19.78(2) 2_556 .
Se2 Ce9 Se1 Ce5 94.12(2) . .
Se2 Ce9 Se1 Ce5 -145.38(3) 2_556 .
Se3 Ce9 Se1 Ce5 56.01(4) 2_556 .
Se3 Ce9 Se1 Ce5 176.69(3) . .
Se1 Ce9 Se1 Ce5 -44.792(14) 2_556 .
N8 Ce8 Se2 Ce1 0.80(11) . .
Se6 Ce8 Se2 Ce1 69.77(6) . .
Se18 Ce8 Se2 Ce1 -48.60(7) . .
Se26 Ce8 Se2 Ce1 -144.80(9) 2_556 .
Se9 Ce8 Se2 Ce1 -131.02(6) . .
Se16 Ce8 Se2 Ce1 -140.87(8) 2_556 .
Se3 Ce8 Se2 Ce1 151.29(6) . .
Se28 Ce8 Se2 Ce1 -58.24(7) . .
N8 Ce8 Se2 Ce7 93.34(8) . .
Se6 Ce8 Se2 Ce7 162.32(2) . .
Se18 Ce8 Se2 Ce7 43.95(5) . .
Se26 Ce8 Se2 Ce7 -52.26(9) 2_556 .
Se9 Ce8 Se2 Ce7 -38.48(2) . .
Se16 Ce8 Se2 Ce7 -48.32(8) 2_556 .
Se3 Ce8 Se2 Ce7 -116.17(2) . .
Se28 Ce8 Se2 Ce7 34.30(5) . .
N8 Ce8 Se2 Ce2 -65.01(8) . .
Se6 Ce8 Se2 Ce2 3.96(2) . .
Se18 Ce8 Se2 Ce2 -114.41(5) . .
Se26 Ce8 Se2 Ce2 149.39(9) 2_556 .
Se9 Ce8 Se2 Ce2 163.16(2) . .
Se16 Ce8 Se2 Ce2 153.32(8) 2_556 .
Se3 Ce8 Se2 Ce2 85.48(2) . .
Se28 Ce8 Se2 Ce2 -124.05(5) . .
N8 Ce8 Se2 Ce9 -172.14(8) . .
Se6 Ce8 Se2 Ce9 -103.16(2) . .
Se18 Ce8 Se2 Ce9 138.47(5) . .
Se26 Ce8 Se2 Ce9 42.26(9) 2_556 .
Se9 Ce8 Se2 Ce9 56.04(2) . .
Se16 Ce8 Se2 Ce9 46.20(8) 2_556 .
Se3 Ce8 Se2 Ce9 -21.65(2) . .
Se28 Ce8 Se2 Ce9 128.82(5) . .
N1 Ce1 Se2 Ce8 9.67(17) . .
Se8 Ce1 Se2 Ce8 90.22(6) 2_556 .
Se5 Ce1 Se2 Ce8 -92.06(6) . .
Se14 Ce1 Se2 Ce8 165.93(5) 2_556 .
Se12 Ce1 Se2 Ce8 -12.36(6) . .
Se4 Ce1 Se2 Ce8 -174.42(6) 2_556 .
N1 Ce1 Se2 Ce7 -81.44(16) . .
Se8 Ce1 Se2 Ce7 -0.89(2) 2_556 .
Se5 Ce1 Se2 Ce7 176.84(2) . .
Se14 Ce1 Se2 Ce7 74.82(4) 2_556 .
Se12 Ce1 Se2 Ce7 -103.47(3) . .
Se4 Ce1 Se2 Ce7 94.47(2) 2_556 .
N1 Ce1 Se2 Ce2 78.74(16) . .
Se8 Ce1 Se2 Ce2 159.29(2) 2_556 .
Se5 Ce1 Se2 Ce2 -22.99(2) . .
Se14 Ce1 Se2 Ce2 -125.00(4) 2_556 .
Se12 Ce1 Se2 Ce2 56.70(2) . .
Se4 Ce1 Se2 Ce2 -105.35(2) 2_556 .
N1 Ce1 Se2 Ce9 -177.73(15) . .
Se8 Ce1 Se2 Ce9 -97.18(3) 2_556 .
Se5 Ce1 Se2 Ce9 80.54(3) . .
Se14 Ce1 Se2 Ce9 -21.47(5) 2_556 .
Se12 Ce1 Se2 Ce9 160.24(3) . .
Se4 Ce1 Se2 Ce9 -1.82(2) 2_556 .
N7 Ce7 Se2 Ce8 -104.45(10) . .
Se8 Ce7 Se2 Ce8 -150.63(2) 2_556 .
Se3 Ce7 Se2 Ce8 119.82(2) 2_556 .
Se18 Ce7 Se2 Ce8 -44.74(4) . .
Se9 Ce7 Se2 Ce8 39.09(2) . .
Se28 Ce7 Se2 Ce8 -36.13(5) . .
Se26 Ce7 Se2 Ce8 48.85(12) . .
Se16 Ce7 Se2 Ce8 45.81(9) . .
N7 Ce7 Se2 Ce1 47.06(10) . .
Se8 Ce7 Se2 Ce1 0.89(2) 2_556 .
Se3 Ce7 Se2 Ce1 -88.67(2) 2_556 .
Se18 Ce7 Se2 Ce1 106.78(4) . .
Se9 Ce7 Se2 Ce1 -169.39(3) . .
Se28 Ce7 Se2 Ce1 115.39(5) . .
Se26 Ce7 Se2 Ce1 -159.63(12) . .
Se16 Ce7 Se2 Ce1 -162.67(9) . .
N7 Ce7 Se2 Ce2 -16.75(13) . .
Se8 Ce7 Se2 Ce2 -62.92(7) 2_556 .
Se3 Ce7 Se2 Ce2 -152.48(7) 2_556 .
Se18 Ce7 Se2 Ce2 42.97(8) . .
Se9 Ce7 Se2 Ce2 126.80(7) . .
Se28 Ce7 Se2 Ce2 51.58(8) . .
Se26 Ce7 Se2 Ce2 136.56(13) . .
Se16 Ce7 Se2 Ce2 133.52(11) . .
N7 Ce7 Se2 Ce9 156.84(10) . .
Se8 Ce7 Se2 Ce9 110.67(2) 2_556 .
Se3 Ce7 Se2 Ce9 21.11(2) 2_556 .
Se18 Ce7 Se2 Ce9 -143.44(4) . .
Se9 Ce7 Se2 Ce9 -59.61(2) . .
Se28 Ce7 Se2 Ce9 -134.84(5) . .
Se26 Ce7 Se2 Ce9 -49.86(12) . .
Se16 Ce7 Se2 Ce9 -52.90(9) . .
N2 Ce2 Se2 Ce8 81.41(12) . .
Se5 Ce2 Se2 Ce8 176.51(2) . .
Se6 Ce2 Se2 Ce8 -3.95(2) . .
Se1 Ce2 Se2 Ce8 -101.18(2) . .
Se12 Ce2 Se2 Ce8 94.36(3) . .
Se11 Ce2 Se2 Ce8 -76.99(4) . .
N2 Ce2 Se2 Ce1 -72.14(12) . .
Se5 Ce2 Se2 Ce1 22.96(2) . .
Se6 Ce2 Se2 Ce1 -157.51(2) . .
Se1 Ce2 Se2 Ce1 105.26(2) . .
Se12 Ce2 Se2 Ce1 -59.20(2) . .
Se11 Ce2 Se2 Ce1 129.45(4) . .
N2 Ce2 Se2 Ce7 -5.58(15) . .
Se5 Ce2 Se2 Ce7 89.52(7) . .
Se6 Ce2 Se2 Ce7 -90.94(7) . .
Se1 Ce2 Se2 Ce7 171.83(7) . .
Se12 Ce2 Se2 Ce7 7.37(7) . .
Se11 Ce2 Se2 Ce7 -163.98(6) . .
N2 Ce2 Se2 Ce9 -178.91(11) . .
Se5 Ce2 Se2 Ce9 -83.81(3) . .
Se6 Ce2 Se2 Ce9 95.73(3) . .
Se1 Ce2 Se2 Ce9 -1.50(2) . .
Se12 Ce2 Se2 Ce9 -165.96(3) . .
Se11 Ce2 Se2 Ce9 22.69(5) . .
Se4 Ce9 Se2 Ce8 58.21(4) . .
Se4 Ce9 Se2 Ce8 178.27(3) 2_556 .
Se2 Ce9 Se2 Ce8 -43.453(15) 2_556 .
Se3 Ce9 Se2 Ce8 -108.17(2) 2_556 .
Se3 Ce9 Se2 Ce8 21.57(2) . .
Se1 Ce9 Se2 Ce8 -144.63(3) 2_556 .
Se1 Ce9 Se2 Ce8 95.56(2) . .
Se4 Ce9 Se2 Ce1 -118.23(3) . .
Se4 Ce9 Se2 Ce1 1.83(2) 2_556 .
Se2 Ce9 Se2 Ce1 140.11(2) 2_556 .
Se3 Ce9 Se2 Ce1 75.39(3) 2_556 .
Se3 Ce9 Se2 Ce1 -154.87(3) . .
Se1 Ce9 Se2 Ce1 38.93(5) 2_556 .
Se1 Ce9 Se2 Ce1 -80.88(2) . .
Se4 Ce9 Se2 Ce7 146.56(3) . .
Se4 Ce9 Se2 Ce7 -93.38(2) 2_556 .
Se2 Ce9 Se2 Ce7 44.898(13) 2_556 .
Se3 Ce9 Se2 Ce7 -19.82(2) 2_556 .
Se3 Ce9 Se2 Ce7 109.92(2) . .
Se1 Ce9 Se2 Ce7 -56.28(4) 2_556 .
Se1 Ce9 Se2 Ce7 -176.09(2) . .
Se4 Ce9 Se2 Ce2 -35.91(4) . .
Se4 Ce9 Se2 Ce2 84.16(2) 2_556 .
Se2 Ce9 Se2 Ce2 -137.57(2) 2_556 .
Se3 Ce9 Se2 Ce2 157.71(2) 2_556 .
Se3 Ce9 Se2 Ce2 -72.54(2) . .
Se1 Ce9 Se2 Ce2 121.25(4) 2_556 .
Se1 Ce9 Se2 Ce2 1.44(2) . .
N3 Ce3 Se3 Ce7 6.7(2) . 2_556
Se6 Ce3 Se3 Ce7 91.77(6) . 2_556
Se7 Ce3 Se3 Ce7 -89.80(7) . 2_556
Se11 Ce3 Se3 Ce7 165.42(5) . 2_556
Se13 Ce3 Se3 Ce7 -9.63(6) . 2_556
Se1 Ce3 Se3 Ce7 -172.84(7) . 2_556
N3 Ce3 Se3 Ce8 -85.8(2) . .
Se6 Ce3 Se3 Ce8 -0.72(2) . .
Se7 Ce3 Se3 Ce8 177.72(2) . .
Se11 Ce3 Se3 Ce8 72.94(4) . .
Se13 Ce3 Se3 Ce8 -102.11(3) . .
Se1 Ce3 Se3 Ce8 94.68(2) . .
N3 Ce3 Se3 Ce4 74.0(2) . .
Se6 Ce3 Se3 Ce4 159.12(2) . .
Se7 Ce3 Se3 Ce4 -22.45(2) . .
Se11 Ce3 Se3 Ce4 -127.23(4) . .
Se13 Ce3 Se3 Ce4 57.72(3) . .
Se1 Ce3 Se3 Ce4 -105.48(2) . .
N3 Ce3 Se3 Ce9 177.2(2) . .
Se6 Ce3 Se3 Ce9 -97.65(3) . .
Se7 Ce3 Se3 Ce9 80.78(3) . .
Se11 Ce3 Se3 Ce9 -23.99(5) . .
Se13 Ce3 Se3 Ce9 160.96(3) . .
Se1 Ce3 Se3 Ce9 -2.25(2) . .
N8 Ce8 Se3 Ce7 -100.96(10) . 2_556
Se6 Ce8 Se3 Ce7 -151.52(2) . 2_556
Se2 Ce8 Se3 Ce7 119.45(2) . 2_556
Se18 Ce8 Se3 Ce7 81.82(9) . 2_556
Se26 Ce8 Se3 Ce7 -29.72(7) 2_556 2_556
Se9 Ce8 Se3 Ce7 38.84(2) . 2_556
Se16 Ce8 Se3 Ce7 -28.22(6) 2_556 2_556
Se28 Ce8 Se3 Ce7 58.25(7) . 2_556
N8 Ce8 Se3 Ce3 51.28(10) . .
Se6 Ce8 Se3 Ce3 0.72(2) . .
Se2 Ce8 Se3 Ce3 -88.32(2) . .
Se18 Ce8 Se3 Ce3 -125.95(9) . .
Se26 Ce8 Se3 Ce3 122.52(7) 2_556 .
Se9 Ce8 Se3 Ce3 -168.92(2) . .
Se16 Ce8 Se3 Ce3 124.02(6) 2_556 .
Se28 Ce8 Se3 Ce3 -149.51(7) . .
N8 Ce8 Se3 Ce4 -14.96(13) . .
Se6 Ce8 Se3 Ce4 -65.52(7) . .
Se2 Ce8 Se3 Ce4 -154.56(7) . .
Se18 Ce8 Se3 Ce4 167.81(10) . .
Se26 Ce8 Se3 Ce4 56.28(10) 2_556 .
Se9 Ce8 Se3 Ce4 124.83(8) . .
Se16 Ce8 Se3 Ce4 57.78(9) 2_556 .
Se28 Ce8 Se3 Ce4 144.24(9) . .
N8 Ce8 Se3 Ce9 161.00(10) . .
Se6 Ce8 Se3 Ce9 110.44(2) . .
Se2 Ce8 Se3 Ce9 21.41(2) . .
Se18 Ce8 Se3 Ce9 -16.22(9) . .
Se26 Ce8 Se3 Ce9 -127.75(7) 2_556 .
Se9 Ce8 Se3 Ce9 -59.20(2) . .
Se16 Ce8 Se3 Ce9 -126.26(6) 2_556 .
Se28 Ce8 Se3 Ce9 -39.79(8) . .
N4 Ce4 Se3 Ce7 83.0(2) . 2_556
Se7 Ce4 Se3 Ce7 177.02(2) . 2_556
Se8 Ce4 Se3 Ce7 -3.16(2) . 2_556
Se4 Ce4 Se3 Ce7 -101.10(2) . 2_556
Se13 Ce4 Se3 Ce7 95.08(3) . 2_556
Se14 Ce4 Se3 Ce7 -78.08(4) . 2_556
N4 Ce4 Se3 Ce3 -71.6(2) . .
Se7 Ce4 Se3 Ce3 22.48(2) . .
Se8 Ce4 Se3 Ce3 -157.70(2) . .
Se4 Ce4 Se3 Ce3 104.37(2) . .
Se13 Ce4 Se3 Ce3 -59.45(2) . .
Se14 Ce4 Se3 Ce3 127.39(3) . .
N4 Ce4 Se3 Ce8 -2.5(2) . .
Se7 Ce4 Se3 Ce8 91.58(7) . .
Se8 Ce4 Se3 Ce8 -88.60(7) . .
Se4 Ce4 Se3 Ce8 173.47(8) . .
Se13 Ce4 Se3 Ce8 9.64(7) . .
Se14 Ce4 Se3 Ce8 -163.51(6) . .
N4 Ce4 Se3 Ce9 -178.29(19) . .
Se7 Ce4 Se3 Ce9 -84.23(3) . .
Se8 Ce4 Se3 Ce9 95.59(3) . .
Se4 Ce4 Se3 Ce9 -2.35(2) . .
Se13 Ce4 Se3 Ce9 -166.17(3) . .
Se14 Ce4 Se3 Ce9 20.67(4) . .
Se4 Ce9 Se3 Ce7 95.38(2) . 2_556
Se4 Ce9 Se3 Ce7 -144.94(3) 2_556 2_556
Se2 Ce9 Se3 Ce7 -108.63(2) . 2_556
Se2 Ce9 Se3 Ce7 21.19(2) 2_556 2_556
Se3 Ce9 Se3 Ce7 -43.564(15) 2_556 2_556
Se1 Ce9 Se3 Ce7 57.73(4) 2_556 2_556
Se1 Ce9 Se3 Ce7 177.84(3) . 2_556
Se4 Ce9 Se3 Ce3 -80.21(3) . .
Se4 Ce9 Se3 Ce3 39.47(5) 2_556 .
Se2 Ce9 Se3 Ce3 75.79(3) . .
Se2 Ce9 Se3 Ce3 -154.39(3) 2_556 .
Se3 Ce9 Se3 Ce3 140.85(3) 2_556 .
Se1 Ce9 Se3 Ce3 -117.85(4) 2_556 .
Se1 Ce9 Se3 Ce3 2.25(2) . .
Se4 Ce9 Se3 Ce8 -176.19(2) . .
Se4 Ce9 Se3 Ce8 -56.51(4) 2_556 .
Se2 Ce9 Se3 Ce8 -20.19(2) . .
Se2 Ce9 Se3 Ce8 109.63(2) 2_556 .
Se3 Ce9 Se3 Ce8 44.871(13) 2_556 .
Se1 Ce9 Se3 Ce8 146.16(3) 2_556 .
Se1 Ce9 Se3 Ce8 -93.73(2) . .
Se4 Ce9 Se3 Ce4 2.27(2) . .
Se4 Ce9 Se3 Ce4 121.95(4) 2_556 .
Se2 Ce9 Se3 Ce4 158.26(3) . .
Se2 Ce9 Se3 Ce4 -71.92(2) 2_556 .
Se3 Ce9 Se3 Ce4 -136.67(2) 2_556 .
Se1 Ce9 Se3 Ce4 -35.38(5) 2_556 .
Se1 Ce9 Se3 Ce4 84.73(2) . .
N4 Ce4 Se4 Ce5 -10.2(2) . 2_556
Se7 Ce4 Se4 Ce5 -90.61(6) . 2_556
Se8 Ce4 Se4 Ce5 90.99(6) . 2_556
Se13 Ce4 Se4 Ce5 -165.34(5) . 2_556
Se14 Ce4 Se4 Ce5 10.89(6) . 2_556
Se3 Ce4 Se4 Ce5 173.63(6) . 2_556
N4 Ce4 Se4 Ce6 81.6(2) . .
Se7 Ce4 Se4 Ce6 1.17(2) . .
Se8 Ce4 Se4 Ce6 -177.23(2) . .
Se13 Ce4 Se4 Ce6 -73.56(4) . .
Se14 Ce4 Se4 Ce6 102.67(3) . .
Se3 Ce4 Se4 Ce6 -94.59(2) . .
N4 Ce4 Se4 Ce1 -78.8(2) . 2_556
Se7 Ce4 Se4 Ce1 -159.20(2) . 2_556
Se8 Ce4 Se4 Ce1 22.41(2) . 2_556
Se13 Ce4 Se4 Ce1 126.07(3) . 2_556
Se14 Ce4 Se4 Ce1 -57.70(2) . 2_556
Se3 Ce4 Se4 Ce1 105.05(2) . 2_556
N4 Ce4 Se4 Ce9 178.6(2) . .
Se7 Ce4 Se4 Ce9 98.16(3) . .
Se8 Ce4 Se4 Ce9 -80.24(3) . .
Se13 Ce4 Se4 Ce9 23.43(5) . .
Se14 Ce4 Se4 Ce9 -160.34(3) . .
Se3 Ce4 Se4 Ce9 2.40(2) . .
N6 Ce6 Se4 Ce5 103.41(12) . 2_556
Se7 Ce6 Se4 Ce5 149.27(2) . 2_556
Se1 Ce6 Se4 Ce5 -120.43(2) . 2_556
Se15 Ce6 Se4 Ce5 31.27(4) . 2_556
Se10 Ce6 Se4 Ce5 -39.13(2) . 2_556
Se17 Ce6 Se4 Ce5 -82.89(7) . 2_556
Se25 Ce6 Se4 Ce5 26.18(5) . 2_556
Se27 Ce6 Se4 Ce5 -44.28(8) . 2_556
N6 Ce6 Se4 Ce4 -47.04(12) . .
Se7 Ce6 Se4 Ce4 -1.18(2) . .
Se1 Ce6 Se4 Ce4 89.12(2) . .
Se15 Ce6 Se4 Ce4 -119.18(4) . .
Se10 Ce6 Se4 Ce4 170.42(3) . .
Se17 Ce6 Se4 Ce4 126.66(7) . .
Se25 Ce6 Se4 Ce4 -124.27(5) . .
Se27 Ce6 Se4 Ce4 165.27(8) . .
N6 Ce6 Se4 Ce1 18.81(15) . 2_556
Se7 Ce6 Se4 Ce1 64.67(8) . 2_556
Se1 Ce6 Se4 Ce1 154.97(8) . 2_556
Se15 Ce6 Se4 Ce1 -53.33(9) . 2_556
Se10 Ce6 Se4 Ce1 -123.73(8) . 2_556
Se17 Ce6 Se4 Ce1 -167.49(8) . 2_556
Se25 Ce6 Se4 Ce1 -58.42(9) . 2_556
Se27 Ce6 Se4 Ce1 -128.88(10) . 2_556
N6 Ce6 Se4 Ce9 -157.37(11) . .
Se7 Ce6 Se4 Ce9 -111.50(2) . .
Se1 Ce6 Se4 Ce9 -21.20(2) . .
Se15 Ce6 Se4 Ce9 130.49(4) . .
Se10 Ce6 Se4 Ce9 60.09(2) . .
Se17 Ce6 Se4 Ce9 16.33(7) . .
Se25 Ce6 Se4 Ce9 125.41(5) . .
Se27 Ce6 Se4 Ce9 54.94(8) . .
Se4 Ce9 Se4 Ce5 43.159(16) 2_556 2_556
Se2 Ce9 Se4 Ce5 143.93(3) . 2_556
Se2 Ce9 Se4 Ce5 -94.96(2) 2_556 2_556
Se3 Ce9 Se4 Ce5 -57.41(4) 2_556 2_556
Se3 Ce9 Se4 Ce5 -178.04(3) . 2_556
Se1 Ce9 Se4 Ce5 -21.55(2) 2_556 2_556
Se1 Ce9 Se4 Ce5 108.00(2) . 2_556
Se4 Ce9 Se4 Ce4 -141.21(3) 2_556 .
Se2 Ce9 Se4 Ce4 -40.44(5) . .
Se2 Ce9 Se4 Ce4 80.67(3) 2_556 .
Se3 Ce9 Se4 Ce4 118.22(4) 2_556 .
Se3 Ce9 Se4 Ce4 -2.41(2) . .
Se1 Ce9 Se4 Ce4 154.08(3) 2_556 .
Se1 Ce9 Se4 Ce4 -76.37(3) . .
Se4 Ce9 Se4 Ce6 -45.028(14) 2_556 .
Se2 Ce9 Se4 Ce6 55.74(4) . .
Se2 Ce9 Se4 Ce6 176.85(3) 2_556 .
Se3 Ce9 Se4 Ce6 -145.59(3) 2_556 .
Se3 Ce9 Se4 Ce6 93.77(2) . .
Se1 Ce9 Se4 Ce6 -109.74(2) 2_556 .
Se1 Ce9 Se4 Ce6 19.81(2) . .
Se4 Ce9 Se4 Ce1 136.40(3) 2_556 2_556
Se2 Ce9 Se4 Ce1 -122.83(4) . 2_556
Se2 Ce9 Se4 Ce1 -1.72(2) 2_556 2_556
Se3 Ce9 Se4 Ce1 35.83(5) 2_556 2_556
Se3 Ce9 Se4 Ce1 -84.80(2) . 2_556
Se1 Ce9 Se4 Ce1 71.69(3) 2_556 2_556
Se1 Ce9 Se4 Ce1 -158.76(3) . 2_556
N5 Ce5 Se5 Ce2 154.94(9) . .
Se4 Ce5 Se5 Ce2 -80.23(3) 2_556 .
Se25 Ce5 Se5 Ce2 -167.83(12) 2_556 .
Se27 Ce5 Se5 Ce2 81.87(5) . .
Se10 Ce5 Se5 Ce2 -20.32(8) . .
Se17 Ce5 Se5 Ce2 70.36(4) . .
Se1 Ce5 Se5 Ce2 0.73(3) . .
Se15 Ce5 Se5 Ce2 -162.11(6) 2_556 .
N5 Ce5 Se5 Ce1 -121.09(9) . .
Se4 Ce5 Se5 Ce1 3.73(2) 2_556 .
Se25 Ce5 Se5 Ce1 -83.86(12) 2_556 .
Se27 Ce5 Se5 Ce1 165.84(5) . .
Se10 Ce5 Se5 Ce1 63.65(7) . .
Se17 Ce5 Se5 Ce1 154.33(3) . .
Se1 Ce5 Se5 Ce1 84.70(2) . .
Se15 Ce5 Se5 Ce1 -78.15(7) 2_556 .
N2 Ce2 Se5 Ce5 -143.43(6) . .
Se6 Ce2 Se5 Ce5 62.7(6) . .
Se1 Ce2 Se5 Ce5 -0.76(3) . .
Se12 Ce2 Se5 Ce5 137.29(3) . .
Se11 Ce2 Se5 Ce5 -66.64(3) . .
Se2 Ce2 Se5 Ce5 71.43(3) . .
N2 Ce2 Se5 Ce1 121.84(6) . .
Se6 Ce2 Se5 Ce1 -32.0(6) . .
Se1 Ce2 Se5 Ce1 -95.49(2) . .
Se12 Ce2 Se5 Ce1 42.56(2) . .
Se11 Ce2 Se5 Ce1 -161.36(3) . .
Se2 Ce2 Se5 Ce1 -23.29(2) . .
N1 Ce1 Se5 Ce5 140.23(8) . .
Se8 Ce1 Se5 Ce5 32.0(6) 2_556 .
Se2 Ce1 Se5 Ce5 -76.18(3) . .
Se14 Ce1 Se5 Ce5 60.83(3) 2_556 .
Se12 Ce1 Se5 Ce5 -142.48(3) . .
Se4 Ce1 Se5 Ce5 -3.50(2) 2_556 .
N1 Ce1 Se5 Ce2 -118.97(8) . .
Se8 Ce1 Se5 Ce2 132.8(6) 2_556 .
Se2 Ce1 Se5 Ce2 24.62(2) . .
Se14 Ce1 Se5 Ce2 161.62(3) 2_556 .
Se12 Ce1 Se5 Ce2 -41.68(2) . .
Se4 Ce1 Se5 Ce2 97.30(2) 2_556 .
N3 Ce3 Se6 Ce8 144.47(11) . .
Se7 Ce3 Se6 Ce8 -57.8(9) . .
Se3 Ce3 Se6 Ce8 0.78(2) . .
Se11 Ce3 Se6 Ce8 -137.35(3) . .
Se13 Ce3 Se6 Ce8 65.49(3) . .
Se1 Ce3 Se6 Ce8 -72.07(3) . .
N3 Ce3 Se6 Ce2 -119.62(11) . .
Se7 Ce3 Se6 Ce2 38.1(9) . .
Se3 Ce3 Se6 Ce2 96.69(2) . .
Se11 Ce3 Se6 Ce2 -41.45(2) . .
Se13 Ce3 Se6 Ce2 161.40(2) . .
Se1 Ce3 Se6 Ce2 23.83(2) . .
N8 Ce8 Se6 Ce3 -151.22(5) . .
Se2 Ce8 Se6 Ce3 80.45(3) . .
Se18 Ce8 Se6 Ce3 150.68(6) . .
Se26 Ce8 Se6 Ce3 -77.75(7) 2_556 .
Se9 Ce8 Se6 Ce3 23.96(7) . .
Se16 Ce8 Se6 Ce3 -79.35(7) 2_556 .
Se3 Ce8 Se6 Ce3 -0.76(2) . .
Se28 Ce8 Se6 Ce3 158.91(4) . .
N8 Ce8 Se6 Ce2 124.04(5) . .
Se2 Ce8 Se6 Ce2 -4.30(3) . .
Se18 Ce8 Se6 Ce2 65.94(6) . .
Se26 Ce8 Se6 Ce2 -162.50(7) 2_556 .
Se9 Ce8 Se6 Ce2 -60.79(6) . .
Se16 Ce8 Se6 Ce2 -164.10(6) 2_556 .
Se3 Ce8 Se6 Ce2 -85.51(2) . .
Se28 Ce8 Se6 Ce2 74.16(5) . .
N2 Ce2 Se6 Ce3 118.05(6) . .
Se5 Ce2 Se6 Ce3 -88.1(6) . .
Se1 Ce2 Se6 Ce3 -24.91(2) . .
Se12 Ce2 Se6 Ce3 -162.42(2) . .
Se11 Ce2 Se6 Ce3 41.55(2) . .
Se2 Ce2 Se6 Ce3 -96.88(2) . .
N2 Ce2 Se6 Ce8 -141.02(6) . .
Se5 Ce2 Se6 Ce8 12.8(6) . .
Se1 Ce2 Se6 Ce8 76.01(3) . .
Se12 Ce2 Se6 Ce8 -61.49(3) . .
Se11 Ce2 Se6 Ce8 142.48(3) . .
Se2 Ce2 Se6 Ce8 4.05(2) . .
N4 Ce4 Se7 Ce6 -144.04(11) . .
Se8 Ce4 Se7 Ce6 65.4(10) . .
Se4 Ce4 Se7 Ce6 -1.29(3) . .
Se13 Ce4 Se7 Ce6 135.67(3) . .
Se14 Ce4 Se7 Ce6 -66.14(3) . .
Se3 Ce4 Se7 Ce6 71.23(3) . .
N4 Ce4 Se7 Ce3 121.77(11) . .
Se8 Ce4 Se7 Ce3 -28.8(10) . .
Se4 Ce4 Se7 Ce3 -95.48(2) . .
Se13 Ce4 Se7 Ce3 41.48(2) . .
Se14 Ce4 Se7 Ce3 -160.33(2) . .
Se3 Ce4 Se7 Ce3 -22.96(2) . .
N6 Ce6 Se7 Ce4 154.70(6) . .
Se1 Ce6 Se7 Ce4 -79.58(3) . .
Se15 Ce6 Se7 Ce4 81.37(6) . .
Se10 Ce6 Se7 Ce4 -18.62(7) . .
Se17 Ce6 Se7 Ce4 -150.80(3) . .
Se25 Ce6 Se7 Ce4 77.34(9) . .
Se4 Ce6 Se7 Ce4 1.24(2) . .
Se27 Ce6 Se7 Ce4 -165.08(6) . .
N6 Ce6 Se7 Ce3 -120.85(6) . .
Se1 Ce6 Se7 Ce3 4.87(2) . .
Se15 Ce6 Se7 Ce3 165.82(6) . .
Se10 Ce6 Se7 Ce3 65.83(7) . .
Se17 Ce6 Se7 Ce3 -66.35(4) . .
Se25 Ce6 Se7 Ce3 161.79(9) . .
Se4 Ce6 Se7 Ce3 85.70(2) . .
Se27 Ce6 Se7 Ce3 -80.63(7) . .
N3 Ce3 Se7 Ce4 -119.83(11) . .
Se6 Ce3 Se7 Ce4 82.4(9) . .
Se3 Ce3 Se7 Ce4 24.01(2) . .
Se11 Ce3 Se7 Ce4 161.78(2) . .
Se13 Ce3 Se7 Ce4 -41.06(2) . .
Se1 Ce3 Se7 Ce4 96.73(2) . .
N3 Ce3 Se7 Ce6 138.87(11) . .
Se6 Ce3 Se7 Ce6 -18.9(9) . .
Se3 Ce3 Se7 Ce6 -77.30(2) . .
Se11 Ce3 Se7 Ce6 60.48(3) . .
Se13 Ce3 Se7 Ce6 -142.36(3) . .
Se1 Ce3 Se7 Ce6 -4.58(2) . .
N4 Ce4 Se8 Ce1 118.89(11) . 2_556
Se7 Ce4 Se8 Ce1 -90.5(10) . 2_556
Se4 Ce4 Se8 Ce1 -24.05(2) . 2_556
Se13 Ce4 Se8 Ce1 -160.68(2) . 2_556
Se14 Ce4 Se8 Ce1 41.14(2) . 2_556
Se3 Ce4 Se8 Ce1 -96.41(2) . 2_556
N4 Ce4 Se8 Ce7 -141.48(11) . 2_556
Se7 Ce4 Se8 Ce7 9.1(10) . 2_556
Se4 Ce4 Se8 Ce7 75.58(3) . 2_556
Se13 Ce4 Se8 Ce7 -61.05(3) . 2_556
Se14 Ce4 Se8 Ce7 140.77(3) . 2_556
Se3 Ce4 Se8 Ce7 3.22(2) . 2_556
N7 Ce7 Se9 Ce7 -164.77(10) . 2_556
Se8 Ce7 Se9 Ce7 18.28(6) 2_556 2_556
Se3 Ce7 Se9 Ce7 -40.997(16) 2_556 2_556
Se18 Ce7 Se9 Ce7 115.76(5) . 2_556
Se28 Ce7 Se9 Ce7 128.17(4) . 2_556
Se26 Ce7 Se9 Ce7 -130.71(7) . 2_556
Se16 Ce7 Se9 Ce7 -132.51(6) . 2_556
Se2 Ce7 Se9 Ce7 42.966(15) . 2_556
N7 Ce7 Se9 Ce8 -83.74(11) . 2_556
Se8 Ce7 Se9 Ce8 99.30(5) 2_556 2_556
Se3 Ce7 Se9 Ce8 40.03(3) 2_556 2_556
Se18 Ce7 Se9 Ce8 -163.21(6) . 2_556
Se28 Ce7 Se9 Ce8 -150.80(5) . 2_556
Se26 Ce7 Se9 Ce8 -49.68(7) . 2_556
Se16 Ce7 Se9 Ce8 -51.48(6) . 2_556
Se2 Ce7 Se9 Ce8 123.99(3) . 2_556
N7 Ce7 Se9 Ce8 114.23(10) . .
Se8 Ce7 Se9 Ce8 -62.72(7) 2_556 .
Se3 Ce7 Se9 Ce8 -121.99(3) 2_556 .
Se18 Ce7 Se9 Ce8 34.76(5) . .
Se28 Ce7 Se9 Ce8 47.17(4) . .
Se26 Ce7 Se9 Ce8 148.30(8) . .
Se16 Ce7 Se9 Ce8 146.49(7) . .
Se2 Ce7 Se9 Ce8 -38.03(2) . .
N7 Ce7 Se9 Na1A 15.24(10) . .
Se8 Ce7 Se9 Na1A -161.71(6) 2_556 .
Se3 Ce7 Se9 Na1A 139.016(16) 2_556 .
Se18 Ce7 Se9 Na1A -64.23(5) . .
Se28 Ce7 Se9 Na1A -51.82(4) . .
Se26 Ce7 Se9 Na1A 49.31(7) . .
Se16 Ce7 Se9 Na1A 47.50(6) . .
Se2 Ce7 Se9 Na1A -137.021(14) . .
N8 Ce8 Se9 Ce7 -87.74(6) . .
Se6 Ce8 Se9 Ce7 98.35(5) . .
Se2 Ce8 Se9 Ce7 40.22(3) . .
Se18 Ce8 Se9 Ce7 -34.76(5) . .
Se26 Ce8 Se9 Ce7 -148.18(6) 2_556 .
Se16 Ce8 Se9 Ce7 -145.94(6) 2_556 .
Se3 Ce8 Se9 Ce7 123.53(3) . .
Se28 Ce8 Se9 Ce7 -45.22(4) . .
N8 Ce8 Se9 Ce7 110.83(6) . 2_556
Se6 Ce8 Se9 Ce7 -63.08(6) . 2_556
Se2 Ce8 Se9 Ce7 -121.21(3) . 2_556
Se18 Ce8 Se9 Ce7 163.81(5) . 2_556
Se26 Ce8 Se9 Ce7 50.39(5) 2_556 2_556
Se16 Ce8 Se9 Ce7 52.63(5) 2_556 2_556
Se3 Ce8 Se9 Ce7 -37.90(2) . 2_556
Se28 Ce8 Se9 Ce7 153.35(4) . 2_556
N8 Ce8 Se9 Ce8 -168.45(6) . 2_556
Se6 Ce8 Se9 Ce8 17.64(5) . 2_556
Se2 Ce8 Se9 Ce8 -40.494(15) . 2_556
Se18 Ce8 Se9 Ce8 -115.47(5) . 2_556
Se26 Ce8 Se9 Ce8 131.11(5) 2_556 2_556
Se16 Ce8 Se9 Ce8 133.35(5) 2_556 2_556
Se3 Ce8 Se9 Ce8 42.816(14) . 2_556
Se28 Ce8 Se9 Ce8 -125.93(3) . 2_556
N8 Ce8 Se9 Na1A 11.55(6) . .
Se6 Ce8 Se9 Na1A -162.37(5) . .
Se2 Ce8 Se9 Na1A 139.504(15) . .
Se18 Ce8 Se9 Na1A 64.53(5) . .
Se26 Ce8 Se9 Na1A -48.89(5) 2_556 .
Se16 Ce8 Se9 Na1A -46.65(5) 2_556 .
Se3 Ce8 Se9 Na1A -137.187(14) . .
Se28 Ce8 Se9 Na1A 54.06(3) . .
N5 Ce5 Se10 Ce5 164.43(12) . 2_556
Se5 Ce5 Se10 Ce5 -21.53(6) . 2_556
Se4 Ce5 Se10 Ce5 40.145(15) 2_556 2_556
Se25 Ce5 Se10 Ce5 134.00(8) 2_556 2_556
Se27 Ce5 Se10 Ce5 -136.53(6) . 2_556
Se17 Ce5 Se10 Ce5 -116.04(3) . 2_556
Se1 Ce5 Se10 Ce5 -42.979(15) . 2_556
Se15 Ce5 Se10 Ce5 129.18(5) 2_556 2_556
N5 Ce5 Se10 Ce6 83.64(12) . 2_556
Se5 Ce5 Se10 Ce6 -102.32(6) . 2_556
Se4 Ce5 Se10 Ce6 -40.64(3) 2_556 2_556
Se25 Ce5 Se10 Ce6 53.21(8) 2_556 2_556
Se27 Ce5 Se10 Ce6 142.68(6) . 2_556
Se17 Ce5 Se10 Ce6 163.17(4) . 2_556
Se1 Ce5 Se10 Ce6 -123.77(3) . 2_556
Se15 Ce5 Se10 Ce6 48.39(5) 2_556 2_556
N5 Ce5 Se10 Ce6 -114.78(12) . .
Se5 Ce5 Se10 Ce6 59.26(7) . .
Se4 Ce5 Se10 Ce6 120.94(3) 2_556 .
Se25 Ce5 Se10 Ce6 -145.21(9) 2_556 .
Se27 Ce5 Se10 Ce6 -55.74(6) . .
Se17 Ce5 Se10 Ce6 -35.25(4) . .
Se1 Ce5 Se10 Ce6 37.81(2) . .
Se15 Ce5 Se10 Ce6 -150.03(5) 2_556 .
N5 Ce5 Se10 Na1B -15.57(12) . .
Se5 Ce5 Se10 Na1B 158.47(6) . .
Se4 Ce5 Se10 Na1B -139.854(15) 2_556 .
Se25 Ce5 Se10 Na1B -46.00(8) 2_556 .
Se27 Ce5 Se10 Na1B 43.47(6) . .
Se17 Ce5 Se10 Na1B 63.96(3) . .
Se1 Ce5 Se10 Na1B 137.021(15) . .
Se15 Ce5 Se10 Na1B -50.82(5) 2_556 .
N6 Ce6 Se10 Ce5 -113.26(8) . 2_556
Se7 Ce6 Se10 Ce5 58.25(7) . 2_556
Se1 Ce6 Se10 Ce5 121.03(3) . 2_556
Se15 Ce6 Se10 Ce5 -52.22(5) . 2_556
Se17 Ce6 Se10 Ce5 -163.74(4) . 2_556
Se25 Ce6 Se10 Ce5 -50.91(8) . 2_556
Se4 Ce6 Se10 Ce5 38.01(2) . 2_556
Se27 Ce6 Se10 Ce5 -145.82(6) . 2_556
N6 Ce6 Se10 Ce5 85.08(8) . .
Se7 Ce6 Se10 Ce5 -103.41(6) . .
Se1 Ce6 Se10 Ce5 -40.63(3) . .
Se15 Ce6 Se10 Ce5 146.13(6) . .
Se17 Ce6 Se10 Ce5 34.61(4) . .
Se25 Ce6 Se10 Ce5 147.44(8) . .
Se4 Ce6 Se10 Ce5 -123.64(3) . .
Se27 Ce6 Se10 Ce5 52.52(5) . .
N6 Ce6 Se10 Ce6 165.91(8) . 2_556
Se7 Ce6 Se10 Ce6 -22.58(6) . 2_556
Se1 Ce6 Se10 Ce6 40.203(16) . 2_556
Se15 Ce6 Se10 Ce6 -133.04(5) . 2_556
Se17 Ce6 Se10 Ce6 115.43(3) . 2_556
Se25 Ce6 Se10 Ce6 -131.74(8) . 2_556
Se4 Ce6 Se10 Ce6 -42.815(15) . 2_556
Se27 Ce6 Se10 Ce6 133.35(5) . 2_556
N6 Ce6 Se10 Na1B -14.09(8) . .
Se7 Ce6 Se10 Na1B 157.42(6) . .
Se1 Ce6 Se10 Na1B -139.797(16) . .
Se15 Ce6 Se10 Na1B 46.96(5) . .
Se17 Ce6 Se10 Na1B -64.57(3) . .
Se25 Ce6 Se10 Na1B 48.26(8) . .
Se4 Ce6 Se10 Na1B 137.185(15) . .
Se27 Ce6 Se10 Na1B -46.65(5) . .
N2 Ce2 Se11 C1 -22.3(3) . .
Se5 Ce2 Se11 C1 -110.4(3) . .
Se6 Ce2 Se11 C1 72.0(3) . .
Se1 Ce2 Se11 C1 170.3(3) . .
Se12 Ce2 Se11 C1 -14.9(3) . .
Se2 Ce2 Se11 C1 145.2(3) . .
N2 Ce2 Se11 Ce3 -133.56(6) . .
Se5 Ce2 Se11 Ce3 138.34(3) . .
Se6 Ce2 Se11 Ce3 -39.29(2) . .
Se1 Ce2 Se11 Ce3 59.00(2) . .
Se12 Ce2 Se11 Ce3 -126.21(7) . .
Se2 Ce2 Se11 Ce3 33.91(4) . .
N3 Ce3 Se11 C1 23.7(3) . .
Se6 Ce3 Se11 C1 -70.2(3) . .
Se7 Ce3 Se11 C1 111.6(3) . .
Se3 Ce3 Se11 C1 -143.6(3) . .
Se13 Ce3 Se11 C1 24.6(3) . .
Se1 Ce3 Se11 C1 -166.5(3) . .
N3 Ce3 Se11 Ce2 133.76(10) . .
Se6 Ce3 Se11 Ce2 39.88(2) . .
Se7 Ce3 Se11 Ce2 -138.31(2) . .
Se3 Ce3 Se11 Ce2 -33.56(5) . .
Se13 Ce3 Se11 Ce2 134.65(7) . .
Se1 Ce3 Se11 Ce2 -56.46(2) . .
Ce2 Se11 C1 C6 -48.7(9) . .
Ce3 Se11 C1 C6 38.2(9) . .
Ce2 Se11 C1 C2 130.3(8) . .
Ce3 Se11 C1 C2 -142.8(8) . .
C6 C1 C2 C3 1.1(16) . .
Se11 C1 C2 C3 -178.0(9) . .
C1 C2 C3 C4 -1.2(18) . .
C2 C3 C4 C5 1(2) . .
C3 C4 C5 C6 -0.2(19) . .
C2 C1 C6 C5 -0.4(16) . .
Se11 C1 C6 C5 178.6(8) . .
C4 C5 C6 C1 0.0(17) . .
N2 Ce2 Se12 C7 -22.3(3) . .
Se5 Ce2 Se12 C7 68.9(3) . .
Se6 Ce2 Se12 C7 -114.0(3) . .
Se1 Ce2 Se12 C7 143.4(3) . .
Se11 Ce2 Se12 C7 -29.6(3) . .
Se2 Ce2 Se12 C7 165.2(3) . .
N2 Ce2 Se12 Ce1 -131.39(6) . .
Se5 Ce2 Se12 Ce1 -40.16(2) . .
Se6 Ce2 Se12 Ce1 136.91(2) . .
Se1 Ce2 Se12 Ce1 34.34(4) . .
Se11 Ce2 Se12 Ce1 -138.68(7) . .
Se2 Ce2 Se12 Ce1 56.13(2) . .
N1 Ce1 Se12 C7 25.6(3) . .
Se8 Ce1 Se12 C7 112.3(3) 2_556 .
Se5 Ce1 Se12 C7 -67.9(3) . .
Se2 Ce1 Se12 C7 -167.8(3) . .
Se14 Ce1 Se12 C7 15.2(3) 2_556 .
Se4 Ce1 Se12 C7 -142.0(3) 2_556 .
N1 Ce1 Se12 Ce2 133.71(7) . .
Se8 Ce1 Se12 Ce2 -139.64(2) 2_556 .
Se5 Ce1 Se12 Ce2 40.13(2) . .
Se2 Ce1 Se12 Ce2 -59.75(2) . .
Se14 Ce1 Se12 Ce2 123.24(7) 2_556 .
Se4 Ce1 Se12 Ce2 -33.97(5) 2_556 .
Ce2 Se12 C7 C12 -43.5(9) . .
Ce1 Se12 C7 C12 41.2(9) . .
Ce2 Se12 C7 C8 136.3(7) . .
Ce1 Se12 C7 C8 -139.1(7) . .
C12 C7 C8 C9 -3.4(16) . .
Se12 C7 C8 C9 176.9(8) . .
C7 C8 C9 C10 3.1(17) . .
C8 C9 C10 C11 -2(2) . .
C9 C10 C11 C12 1(2) . .
C8 C7 C12 C11 2.5(15) . .
Se12 C7 C12 C11 -177.8(8) . .
C10 C11 C12 C7 -1.4(17) . .
N4 Ce4 Se13 C13 -16.5(4) . .
Se7 Ce4 Se13 C13 74.0(4) . .
Se8 Ce4 Se13 C13 -107.6(4) . .
Se4 Ce4 Se13 C13 148.4(4) . .
Se14 Ce4 Se13 C13 -22.3(4) . .
Se3 Ce4 Se13 C13 170.6(4) . .
N4 Ce4 Se13 Ce3 -129.82(10) . .
Se7 Ce4 Se13 Ce3 -39.37(2) . .
Se8 Ce4 Se13 Ce3 138.99(2) . .
Se4 Ce4 Se13 Ce3 35.00(4) . .
Se14 Ce4 Se13 Ce3 -135.65(7) . .
Se3 Ce4 Se13 Ce3 57.26(2) . .
N3 Ce3 Se13 C13 19.8(5) . .
Se6 Ce3 Se13 C13 110.9(5) . .
Se7 Ce3 Se13 C13 -70.7(5) . .
Se3 Ce3 Se13 C13 -170.0(5) . .
Se11 Ce3 Se13 C13 18.9(5) . .
Se1 Ce3 Se13 C13 -146.4(5) . .
N3 Ce3 Se13 Ce4 129.65(10) . .
Se6 Ce3 Se13 Ce4 -139.25(2) . .
Se7 Ce3 Se13 Ce4 39.22(2) . .
Se3 Ce3 Se13 Ce4 -60.12(2) . .
Se11 Ce3 Se13 Ce4 128.77(8) . .
Se1 Ce3 Se13 Ce4 -36.50(4) . .
Ce4 Se13 C13 C18 -52.4(14) . .
Ce3 Se13 C13 C18 35.0(14) . .
Ce4 Se13 C13 C14 130.0(12) . .
Ce3 Se13 C13 C14 -142.6(11) . .
C18 C13 C14 C15 4(2) . .
Se13 C13 C14 C15 -178.2(12) . .
C13 C14 C15 C16 6(3) . .
C14 C15 C16 C17 -18(3) . .
C15 C16 C17 C18 20(3) . .
C14 C13 C18 C17 -2(2) . .
Se13 C13 C18 C17 180.0(13) . .
C16 C17 C18 C13 -9(3) . .
N4 Ce4 Se14 C19 -21.0(3) . .
Se7 Ce4 Se14 C19 -108.8(3) . .
Se8 Ce4 Se14 C19 72.5(3) . .
Se4 Ce4 Se14 C19 172.1(3) . .
Se13 Ce4 Se14 C19 -15.1(3) . .
Se3 Ce4 Se14 C19 147.9(3) . .
N4 Ce4 Se14 Ce1 -132.73(9) . 2_556
Se7 Ce4 Se14 Ce1 139.45(2) . 2_556
Se8 Ce4 Se14 Ce1 -39.24(2) . 2_556
Se4 Ce4 Se14 Ce1 60.32(2) . 2_556
Se13 Ce4 Se14 Ce1 -126.86(7) . 2_556
Se3 Ce4 Se14 Ce1 36.19(4) . 2_556
Ce1 Se14 C19 C24 48.5(9) 2_556 .
Ce4 Se14 C19 C24 -38.1(9) . .
Ce1 Se14 C19 C20 -139.6(7) 2_556 .
Ce4 Se14 C19 C20 133.8(7) . .
C24 C19 C20 C21 -3.4(17) . .
Se14 C19 C20 C21 -175.7(9) . .
C19 C20 C21 C22 4.8(18) . .
C20 C21 C22 C23 -4(2) . .
C21 C22 C23 C24 2(2) . .
C20 C19 C24 C23 0.9(16) . .
Se14 C19 C24 C23 172.7(8) . .
C22 C23 C24 C19 0.0(18) . .
Se8 Ce1 N1 C49 -47.4(3) 2_556 .
Se5 Ce1 N1 C49 134.9(3) . .
Se2 Ce1 N1 C49 31.7(4) . .
Se14 Ce1 N1 C49 -131.8(3) 2_556 .
Se12 Ce1 N1 C49 52.5(3) . .
Se4 Ce1 N1 C49 -141.7(3) 2_556 .
Se8 Ce1 N1 C53 142.3(5) 2_556 .
Se5 Ce1 N1 C53 -35.5(5) . .
Se2 Ce1 N1 C53 -138.7(5) . .
Se14 Ce1 N1 C53 57.9(5) 2_556 .
Se12 Ce1 N1 C53 -117.9(5) . .
Se4 Ce1 N1 C53 48.0(6) 2_556 .
C53 N1 C49 C50 -0.5(7) . .
Ce1 N1 C49 C50 -171.3(4) . .
N1 C49 C50 C51 2.3(7) . .
C49 C50 C51 C52 -6.0(7) . .
C50 C51 C52 C53 7.7(8) . .
C49 N1 C53 C52 2.2(10) . .
Ce1 N1 C53 C52 172.7(5) . .
C51 C52 C53 N1 -5.8(10) . .
Se5 Ce2 N2 C54 -142.9(3) . .
Se6 Ce2 N2 C54 35.8(3) . .
Se1 Ce2 N2 C54 137.3(2) . .
Se12 Ce2 N2 C54 -58.8(3) . .
Se11 Ce2 N2 C54 118.2(3) . .
Se2 Ce2 N2 C54 -46.8(3) . .
Se5 Ce2 N2 C58 37.8(5) . .
Se6 Ce2 N2 C58 -143.5(5) . .
Se1 Ce2 N2 C58 -42.0(5) . .
Se12 Ce2 N2 C58 121.9(5) . .
Se11 Ce2 N2 C58 -61.1(5) . .
Se2 Ce2 N2 C58 134.0(5) . .
C58 N2 C54 C55 1.3(7) . .
Ce2 N2 C54 C55 -178.0(3) . .
N2 C54 C55 C56 1.1(6) . .
C54 C55 C56 C57 -1.1(7) . .
C55 C56 C57 C58 -1.3(8) . .
C54 N2 C58 C57 -3.8(9) . .
Ce2 N2 C58 C57 175.5(5) . .
C56 C57 C58 N2 3.9(10) . .
Se6 Ce3 N3 C59 137.0(6) . .
Se7 Ce3 N3 C59 -42.3(6) . .
Se3 Ce3 N3 C59 -141.0(5) . .
Se11 Ce3 N3 C59 53.8(6) . .
Se13 Ce3 N3 C59 -125.8(6) . .
Se1 Ce3 N3 C59 38.2(7) . .
Se6 Ce3 N3 C63 -40.2(7) . .
Se7 Ce3 N3 C63 140.5(7) . .
Se3 Ce3 N3 C63 41.9(8) . .
Se11 Ce3 N3 C63 -123.3(7) . .
Se13 Ce3 N3 C63 57.0(6) . .
Se1 Ce3 N3 C63 -139.0(6) . .
C63 N3 C59 C60 0.2(12) . .
Ce3 N3 C59 C60 -177.1(6) . .
N3 C59 C60 C61 4.7(13) . .
C59 C60 C61 C62 -2.7(14) . .
C60 C61 C62 C63 -3.9(16) . .
C59 N3 C63 C62 -7.0(13) . .
Ce3 N3 C63 C62 170.2(7) . .
C61 C62 C63 N3 9.0(15) . .
Se7 Ce4 N4 C64 42.5(5) . .
Se8 Ce4 N4 C64 -138.4(5) . .
Se4 Ce4 N4 C64 -35.8(6) . .
Se13 Ce4 N4 C64 126.7(5) . .
Se14 Ce4 N4 C64 -55.5(5) . .
Se3 Ce4 N4 C64 137.8(4) . .
Se7 Ce4 N4 C68 -138.4(7) . .
Se8 Ce4 N4 C68 40.7(7) . .
Se4 Ce4 N4 C68 143.2(6) . .
Se13 Ce4 N4 C68 -54.2(7) . .
Se14 Ce4 N4 C68 123.6(7) . .
Se3 Ce4 N4 C68 -43.1(8) . .
C68 N4 C64 C65 -0.3(11) . .
Ce4 N4 C64 C65 178.8(5) . .
N4 C64 C65 C66 -1.8(11) . .
C64 C65 C66 C67 6.6(12) . .
C65 C66 C67 C68 -9.2(12) . .
C64 N4 C68 C67 -2.4(13) . .
Ce4 N4 C68 C67 178.5(6) . .
C66 C67 C68 N4 7.0(13) . .
Se5 Ce5 N5 C69 61.9(4) . .
Se4 Ce5 N5 C69 -15.8(4) 2_556 .
Se25 Ce5 N5 C69 -91.0(4) 2_556 .
Se27 Ce5 N5 C69 -172.0(4) . .
Se10 Ce5 N5 C69 -120.6(3) . .
Se17 Ce5 N5 C69 162.5(4) . .
Se1 Ce5 N5 C69 109.5(4) . .
Se15 Ce5 N5 C69 -86.5(4) 2_556 .
Se5 Ce5 N5 C73 -116.2(7) . .
Se4 Ce5 N5 C73 166.1(6) 2_556 .
Se25 Ce5 N5 C73 90.9(6) 2_556 .
Se27 Ce5 N5 C73 9.9(6) . .
Se10 Ce5 N5 C73 61.3(7) . .
Se17 Ce5 N5 C73 -15.7(6) . .
Se1 Ce5 N5 C73 -68.6(7) . .
Se15 Ce5 N5 C73 95.4(6) 2_556 .
C73 N5 C69 C70 -3.1(9) . .
Ce5 N5 C69 C70 178.6(4) . .
N5 C69 C70 C71 3.3(8) . .
C69 C70 C71 C72 1.5(10) . .
C70 C71 C72 C73 -6.1(12) . .
C69 N5 C73 C72 -1.7(12) . .
Ce5 N5 C73 C72 176.4(6) . .
C71 C72 C73 N5 6.2(13) . .
Se7 Ce6 N6 C74 62.5(3) . .
Se1 Ce6 N6 C74 -14.6(3) . .
Se15 Ce6 N6 C74 -177.0(3) . .
Se10 Ce6 N6 C74 -121.2(3) . .
Se17 Ce6 N6 C74 -66.3(3) . .
Se25 Ce6 N6 C74 -174.2(3) . .
Se4 Ce6 N6 C74 110.2(3) . .
Se27 Ce6 N6 C74 -91.4(3) . .
Se7 Ce6 N6 C78 -108.5(5) . .
Se1 Ce6 N6 C78 174.4(5) . .
Se15 Ce6 N6 C78 12.0(5) . .
Se10 Ce6 N6 C78 67.8(5) . .
Se17 Ce6 N6 C78 122.7(5) . .
Se25 Ce6 N6 C78 14.8(5) . .
Se4 Ce6 N6 C78 -60.8(5) . .
Se27 Ce6 N6 C78 97.6(5) . .
C78 N6 C74 C75 2.6(7) . .
Ce6 N6 C74 C75 -169.5(3) . .
N6 C74 C75 C76 -0.1(6) . .
C74 C75 C76 C77 -3.7(7) . .
C75 C76 C77 C78 4.8(9) . .
C74 N6 C78 C77 -1.3(9) . .
Ce6 N6 C78 C77 169.3(5) . .
C76 C77 C78 N6 -2.3(10) . .
Se8 Ce7 N7 C79 -59.6(3) 2_556 .
Se3 Ce7 N7 C79 17.1(3) 2_556 .
Se18 Ce7 N7 C79 -162.8(3) . .
Se9 Ce7 N7 C79 121.7(3) . .
Se28 Ce7 N7 C79 -175.6(3) . .
Se26 Ce7 N7 C79 88.6(3) . .
Se16 Ce7 N7 C79 90.8(3) . .
Se2 Ce7 N7 C79 -108.0(3) . .
Se8 Ce7 N7 C83 116.0(5) 2_556 .
Se3 Ce7 N7 C83 -167.4(5) 2_556 .
Se18 Ce7 N7 C83 12.8(5) . .
Se9 Ce7 N7 C83 -62.7(6) . .
Se28 Ce7 N7 C83 0.0(5) . .
Se26 Ce7 N7 C83 -95.9(5) . .
Se16 Ce7 N7 C83 -93.7(5) . .
Se2 Ce7 N7 C83 67.6(5) . .
C83 N7 C79 C80 2.9(7) . .
Ce7 N7 C79 C80 178.8(3) . .
N7 C79 C80 C81 -4.5(7) . .
C79 C80 C81 C82 2.6(8) . .
C80 C81 C82 C83 0.8(9) . .
C79 N7 C83 C82 0.8(10) . .
Ce7 N7 C83 C82 -174.7(5) . .
C81 C82 C83 N7 -2.6(11) . .
Se6 Ce8 N8 C84 -54.9(2) . .
Se2 Ce8 N8 C84 20.6(2) . .
Se18 Ce8 N8 C84 71.2(2) . .
Se26 Ce8 N8 C84 -178.2(2) 2_556 .
Se9 Ce8 N8 C84 127.78(19) . .
Se16 Ce8 N8 C84 179.5(2) 2_556 .
Se3 Ce8 N8 C84 -107.2(2) . .
Se28 Ce8 N8 C84 84.9(2) . .
Se6 Ce8 N8 C88 116.3(4) . .
Se2 Ce8 N8 C88 -168.3(4) . .
Se18 Ce8 N8 C88 -117.7(4) . .
Se26 Ce8 N8 C88 -7.1(4) 2_556 .
Se9 Ce8 N8 C88 -61.1(4) . .
Se16 Ce8 N8 C88 -9.4(4) 2_556 .
Se3 Ce8 N8 C88 63.9(4) . .
Se28 Ce8 N8 C88 -104.0(4) . .
C88 N8 C84 C85 0.8(5) . .
Ce8 N8 C84 C85 173.0(3) . .
N8 C84 C85 C86 -3.0(5) . .
C84 C85 C86 C87 4.6(6) . .
C85 C86 C87 C88 -4.2(6) . .
C84 N8 C88 C87 -0.2(7) . .
Ce8 N8 C88 C87 -171.1(3) . .
C86 C87 C88 N8 1.9(8) . .
Ce7 Se9 Na1A Se26 134.53(5) . 2_556
Ce7 Se9 Na1A Se26 -45.46(5) 2_556 2_556
Ce8 Se9 Na1A Se26 -135.49(5) 2_556 2_556
Ce8 Se9 Na1A Se26 44.51(5) . 2_556
Ce7 Se9 Na1A Se26 -45.47(5) . .
Ce7 Se9 Na1A Se26 134.54(5) 2_556 .
Ce8 Se9 Na1A Se26 44.51(5) 2_556 .
Ce8 Se9 Na1A Se26 -135.49(5) . .
Ce7 Se9 Na1A N9A -25.07(9) . 2_556
Ce7 Se9 Na1A N9A 154.94(9) 2_556 2_556
Ce8 Se9 Na1A N9A 64.91(9) 2_556 2_556
Ce8 Se9 Na1A N9A -115.09(9) . 2_556
Ce7 Se9 Na1A N9A 154.93(9) . .
Ce7 Se9 Na1A N9A -25.06(9) 2_556 .
Ce8 Se9 Na1A N9A -115.09(9) 2_556 .
Ce8 Se9 Na1A N9A 64.91(9) . .
N6 Ce6 Se15 C25A -59.37(13) . .
Se7 Ce6 Se15 C25A 8.34(14) . .
Se1 Ce6 Se15 C25A 149.58(11) . .
Se10 Ce6 Se15 C25A 162.39(13) . .
Se17 Ce6 Se15 C25A -124.48(12) . .
Se4 Ce6 Se15 C25A 85.71(12) . .
Se27 Ce6 Se15 C25A -134.44(13) . .
N6 Ce6 Se15 Ce5 -173.60(7) . 2_556
Se7 Ce6 Se15 Ce5 -105.89(4) . 2_556
Se1 Ce6 Se15 Ce5 35.35(10) . 2_556
Se10 Ce6 Se15 Ce5 48.16(3) . 2_556
Se17 Ce6 Se15 Ce5 121.29(4) . 2_556
Se4 Ce6 Se15 Ce5 -28.52(3) . 2_556
Se27 Ce6 Se15 Ce5 111.33(6) . 2_556
Ce6 Se15 C25A C26A 172.2(3) . .
Ce5 Se15 C25A C26A -92.2(3) 2_556 .
Ce6 Se15 C25A C30A -7.8(3) . .
Ce5 Se15 C25A C30A 87.8(3) 2_556 .
C30A C25A C26A C27A 0.00(6) . .
Se15 C25A C26A C27A 180.00(5) . .
C25A C26A C27A C28A 0.00(9) . .
C26A C27A C28A C29A 0.00(13) . .
C27A C28A C29A C30A 0.00(14) . .
C26A C25A C30A C29A 0.00(9) . .
Se15 C25A C30A C29A 180.00(6) . .
C28A C29A C30A C25A 0.00(13) . .
N7 Ce7 Se26 C31B -29.7(3) . .
Se8 Ce7 Se26 C31B 13.1(3) 2_556 .
Se3 Ce7 Se26 C31B 96.9(3) 2_556 .
Se18 Ce7 Se26 C31B -112.2(3) . .
Se9 Ce7 Se26 C31B 176.9(3) . .
Se28 Ce7 Se26 C31B -112.3(3) . .
Se2 Ce7 Se26 C31B 166.6(3) . .
N7 Ce7 Se26 Ce8 -156.89(10) . 2_556
Se8 Ce7 Se26 Ce8 -114.09(4) 2_556 2_556
Se3 Ce7 Se26 Ce8 -30.27(6) 2_556 2_556
Se18 Ce7 Se26 Ce8 120.63(7) . 2_556
Se9 Ce7 Se26 Ce8 49.77(4) . 2_556
Se28 Ce7 Se26 Ce8 120.52(7) . 2_556
Se2 Ce7 Se26 Ce8 39.48(15) . 2_556
N7 Ce7 Se26 Na1A 110.80(15) . .
Se8 Ce7 Se26 Na1A 153.60(12) 2_556 .
Se3 Ce7 Se26 Na1A -122.58(13) 2_556 .
Se18 Ce7 Se26 Na1A 28.31(13) . .
Se9 Ce7 Se26 Na1A -42.54(12) . .
Se28 Ce7 Se26 Na1A 28.21(13) . .
Se2 Ce7 Se26 Na1A -52.83(18) . .
Se9 Na1A Se26 C31B 174.1(2) . .
Se26 Na1A Se26 C31B 174.1(2) 2_556 .
N9A Na1A Se26 C31B 10.4(2) 2_556 .
N9A Na1A Se26 C31B -51.5(7) . .
Se9 Na1A Se26 Ce8 -43.90(5) . 2_556
Se26 Na1A Se26 Ce8 -43.90(5) 2_556 2_556
N9A Na1A Se26 Ce8 152.42(11) 2_556 2_556
N9A Na1A Se26 Ce8 90.5(7) . 2_556
Se9 Na1A Se26 Ce7 43.82(4) . .
Se26 Na1A Se26 Ce7 43.82(4) 2_556 .
N9A Na1A Se26 Ce7 -119.87(9) 2_556 .
N9A Na1A Se26 Ce7 178.3(7) . .
Ce8 Se26 C31B C36B 19.2(3) 2_556 .
Ce7 Se26 C31B C36B -87.6(3) . .
Na1A Se26 C31B C36B 151.5(3) . .
Ce8 Se26 C31B C32B -160.8(3) 2_556 .
Ce7 Se26 C31B C32B 92.4(3) . .
Na1A Se26 C31B C32B -28.5(3) . .
C36B C31B C32B C33B 0.00(6) . .
Se26 C31B C32B C33B 180.00(4) . .
C31B C32B C33B C34B 0.01(9) . .
C32B C33B C34B C35B -0.01(12) . .
C33B C34B C35B C36B 0.00(14) . .
C32B C31B C36B C35B -0.01(9) . .
Se26 C31B C36B C35B 179.99(6) . .
C34B C35B C36B C31B 0.01(12) . .
N5 Ce5 Se17 C37A 63.49(17) . .
Se5 Ce5 Se17 C37A 136.78(14) . .
Se4 Ce5 Se17 C37A -119.39(15) 2_556 .
Se25 Ce5 Se17 C37A -4.93(16) 2_556 .
Se10 Ce5 Se17 C37A -67.68(14) . .
Se1 Ce5 Se17 C37A -145.79(14) . .
Se15 Ce5 Se17 C37A -5.59(15) 2_556 .
N5 Ce5 Se17 Ce6 165.59(10) . .
Se5 Ce5 Se17 Ce6 -121.12(3) . .
Se4 Ce5 Se17 Ce6 -17.30(9) 2_556 .
Se25 Ce5 Se17 Ce6 97.17(7) 2_556 .
Se10 Ce5 Se17 Ce6 34.41(3) . .
Se1 Ce5 Se17 Ce6 -43.70(3) . .
Se15 Ce5 Se17 Ce6 96.50(5) 2_556 .
N6 Ce6 Se17 C37A -60.3(2) . .
Se7 Ce6 Se17 C37A -117.4(2) . .
Se1 Ce6 Se17 C37A 162.5(2) . .
Se15 Ce6 Se17 C37A 15.2(2) . .
Se10 Ce6 Se17 C37A 80.9(2) . .
Se25 Ce6 Se17 C37A 21.1(2) . .
Se4 Ce6 Se17 C37A 123.7(2) . .
N6 Ce6 Se17 Ce5 -175.58(8) . .
Se7 Ce6 Se17 Ce5 127.34(3) . .
Se1 Ce6 Se17 Ce5 47.21(3) . .
Se15 Ce6 Se17 Ce5 -100.03(6) . .
Se10 Ce6 Se17 Ce5 -34.39(3) . .
Se25 Ce6 Se17 Ce5 -94.23(7) . .
Se4 Ce6 Se17 Ce5 8.46(9) . .
Ce5 Se17 C37A C42A 24.62(15) . .
Ce6 Se17 C37A C42A -67.78(16) . .
Ce5 Se17 C37A C38A -155.38(14) . .
Ce6 Se17 C37A C38A 112.22(15) . .
C42A C37A C38A C39A 0.00(6) . .
Se17 C37A C38A C39A 180.00(4) . .
C37A C38A C39A C40A -0.01(9) . .
C38A C39A C40A C41A 0.01(13) . .
C39A C40A C41A C42A -0.02(14) . .
C38A C37A C42A C41A -0.01(9) . .
Se17 C37A C42A C41A 180.00(6) . .
C40A C41A C42A C37A 0.01(13) . .
N7 Ce7 Se28 C43B 56.15(13) . .
Se8 Ce7 Se28 C43B -12.44(11) 2_556 .
Se3 Ce7 Se28 C43B -146.09(11) 2_556 .
Se9 Ce7 Se28 C43B -168.35(11) . .
Se26 Ce7 Se28 C43B 126.57(11) . .
Se16 Ce7 Se28 C43B 127.33(11) . .
Se2 Ce7 Se28 C43B -90.21(11) . .
N7 Ce7 Se28 Ce8 179.86(9) . .
Se8 Ce7 Se28 Ce8 111.27(4) 2_556 .
Se3 Ce7 Se28 Ce8 -22.39(12) 2_556 .
Se9 Ce7 Se28 Ce8 -44.65(4) . .
Se26 Ce7 Se28 Ce8 -109.72(5) . .
Se16 Ce7 Se28 Ce8 -108.97(5) . .
Se2 Ce7 Se28 Ce8 33.50(4) . .
N8 Ce8 Se28 C43B -52.9(2) . .
Se6 Ce8 Se28 C43B -1.5(2) . .
Se2 Ce8 Se28 C43B 79.6(2) . .
Se26 Ce8 Se28 C43B -135.0(2) 2_556 .
Se9 Ce8 Se28 C43B 160.4(2) . .
Se16 Ce8 Se28 C43B -135.2(2) 2_556 .
Se3 Ce8 Se28 C43B 140.48(19) . .
N8 Ce8 Se28 Ce7 -168.21(8) . .
Se6 Ce8 Se28 Ce7 -116.80(5) . .
Se2 Ce8 Se28 Ce7 -35.67(4) . .
Se26 Ce8 Se28 Ce7 109.75(8) 2_556 .
Se9 Ce8 Se28 Ce7 45.06(4) . .
Se16 Ce8 Se28 Ce7 109.51(7) 2_556 .
Se3 Ce8 Se28 Ce7 25.18(10) . .
Ce7 Se28 C43B C48B 179.3(3) . .
Ce8 Se28 C43B C48B 78.9(3) . .
Ce7 Se28 C43B C44B -0.7(3) . .
Ce8 Se28 C43B C44B -101.1(3) . .
C48B C43B C44B C45B 0.00(6) . .
Se28 C43B C44B C45B 180.00(4) . .
C43B C44B C45B C46B 0.00(9) . .
C44B C45B C46B C47B -0.01(13) . .
C45B C46B C47B C48B 0.01(14) . .
C44B C43B C48B C47B -0.01(9) . .
Se28 C43B C48B C47B 180.00(6) . .
C46B C47B C48B C43B 0.00(13) . .
Se9 Na1A N9A C89A -103.6(2) . .
Se26 Na1A N9A C89A -84.3(3) 2_556 .
Se26 Na1A N9A C89A 133.5(6) . .
N9A Na1A N9A C89A 76.4(2) 2_556 .
Se9 Na1A N9A C93A 91.8(6) . .
Se26 Na1A N9A C93A 111.1(6) 2_556 .
Se26 Na1A N9A C93A -31.1(9) . .
N9A Na1A N9A C93A -88.2(6) 2_556 .
C93A N9A C89A C90A 2.9(7) . .
Na1A N9A C89A C90A -162.1(3) . .
N9A C89A C90A C91A -9.9(5) . .
C89A C90A C91A C92A 7.2(6) . .
C90A C91A C92A C93A 1.8(8) . .
C89A N9A C93A C92A 6.7(11) . .
Na1A N9A C93A C92A 171.7(6) . .
C91A C92A C93A N9A -9.2(12) . .
C98A N10A C94A C95A -0.8(8) . .
N10A C94A C95A C96A -10.2(7) . .
C94A C95A C96A C97A 10.9(7) . .
C95A C96A C97A C98A -1.0(8) . .
C94A N10A C98A C97A 11.2(11) . .
C96A C97A C98A N10A -10.6(12) . .
Ce5 Se10 Na1B Se27 -42.26(3) 2_556 2_556
Ce5 Se10 Na1B Se27 137.74(3) . 2_556
Ce6 Se10 Na1B Se27 47.75(3) 2_556 2_556
Ce6 Se10 Na1B Se27 -132.25(3) . 2_556
Ce5 Se10 Na1B Se27 137.74(3) 2_556 .
Ce5 Se10 Na1B Se27 -42.26(3) . .
Ce6 Se10 Na1B Se27 -132.25(3) 2_556 .
Ce6 Se10 Na1B Se27 47.75(3) . .
Ce5 Se10 Na1B Se25 -136.95(9) 2_556 2_556
Ce5 Se10 Na1B Se25 43.05(9) . 2_556
Ce6 Se10 Na1B Se25 -46.94(9) 2_556 2_556
Ce6 Se10 Na1B Se25 133.06(9) . 2_556
Ce5 Se10 Na1B Se25 43.05(9) 2_556 .
Ce5 Se10 Na1B Se25 -136.95(9) . .
Ce6 Se10 Na1B Se25 133.06(9) 2_556 .
Ce6 Se10 Na1B Se25 -46.94(9) . .
Ce5 Se10 Na1B N9B 33.29(6) 2_556 2_556
Ce5 Se10 Na1B N9B -146.71(6) . 2_556
Ce6 Se10 Na1B N9B 123.29(6) 2_556 2_556
Ce6 Se10 Na1B N9B -56.71(6) . 2_556
Ce5 Se10 Na1B N9B -146.71(6) 2_556 .
Ce5 Se10 Na1B N9B 33.29(6) . .
Ce6 Se10 Na1B N9B -56.71(6) 2_556 .
Ce6 Se10 Na1B N9B 123.29(6) . .
N6 Ce6 Se25 C25B -49.8(2) . .
Se7 Ce6 Se25 C25B 19.6(2) . .
Se1 Ce6 Se25 C25B 159.01(16) . .
Se10 Ce6 Se25 C25B 172.2(2) . .
Se17 Ce6 Se25 C25B -116.76(19) . .
Se4 Ce6 Se25 C25B 94.54(19) . .
Se27 Ce6 Se25 C25B -124.5(2) . .
N6 Ce6 Se25 Ce5 -170.22(8) . 2_556
Se7 Ce6 Se25 Ce5 -100.76(6) . 2_556
Se1 Ce6 Se25 Ce5 38.61(12) . 2_556
Se10 Ce6 Se25 Ce5 51.84(4) . 2_556
Se17 Ce6 Se25 Ce5 122.84(5) . 2_556
Se4 Ce6 Se25 Ce5 -25.86(4) . 2_556
Se27 Ce6 Se25 Ce5 115.14(6) . 2_556
N6 Ce6 Se25 Na1B 91.89(16) . .
Se7 Ce6 Se25 Na1B 161.34(13) . .
Se1 Ce6 Se25 Na1B -59.29(19) . .
Se10 Ce6 Se25 Na1B -46.05(13) . .
Se17 Ce6 Se25 Na1B 24.95(15) . .
Se4 Ce6 Se25 Na1B -123.76(14) . .
Se27 Ce6 Se25 Na1B 17.25(15) . .
Se27 Na1B Se25 C25B -115.2(3) 2_556 .
Se27 Na1B Se25 C25B 117.0(3) . .
Se10 Na1B Se25 C25B 179.0(3) . .
Se25 Na1B Se25 C25B 179.0(3) 2_556 .
N9B Na1B Se25 C25B -9.4(3) 2_556 .
N9B Na1B Se25 C25B 45.1(14) . .
Se27 Na1B Se25 Ce5 22.24(16) 2_556 2_556
Se27 Na1B Se25 Ce5 -105.57(15) . 2_556
Se10 Na1B Se25 Ce5 -43.55(6) . 2_556
Se25 Na1B Se25 Ce5 -43.55(6) 2_556 2_556
N9B Na1B Se25 Ce5 128.01(13) 2_556 2_556
N9B Na1B Se25 Ce5 -177.5(13) . 2_556
Se27 Na1B Se25 Ce6 110.46(14) 2_556 .
Se27 Na1B Se25 Ce6 -17.36(16) . .
Se10 Na1B Se25 Ce6 44.67(5) . .
Se25 Na1B Se25 Ce6 44.67(5) 2_556 .
N9B Na1B Se25 Ce6 -143.77(12) 2_556 .
N9B Na1B Se25 Ce6 -89.3(13) . .
Ce5 Se25 C25B C26B -98.3(5) 2_556 .
Ce6 Se25 C25B C26B 158.8(5) . .
Na1B Se25 C25B C26B 32.5(5) . .
Ce5 Se25 C25B C30B 81.7(5) 2_556 .
Ce6 Se25 C25B C30B -21.2(5) . .
Na1B Se25 C25B C30B -147.5(5) . .
C30B C25B C26B C27B 0.00(6) . .
Se25 C25B C26B C27B 180.00(4) . .
C25B C26B C27B C28B 0.00(9) . .
C26B C27B C28B C29B 0.01(13) . .
C27B C28B C29B C30B -0.01(14) . .
C26B C25B C30B C29B 0.00(9) . .
Se25 C25B C30B C29B 180.00(6) . .
C28B C29B C30B C25B 0.01(13) . .
N7 Ce7 Se16 C31A -45.4(3) . .
Se8 Ce7 Se16 C31A -4.4(3) 2_556 .
Se3 Ce7 Se16 C31A 80.4(3) 2_556 .
Se18 Ce7 Se16 C31A -128.8(3) . .
Se9 Ce7 Se16 C31A 159.9(3) . .
Se28 Ce7 Se16 C31A -128.7(3) . .
Se2 Ce7 Se16 C31A 152.7(2) . .
N7 Ce7 Se16 Ce8 -154.14(9) . 2_556
Se8 Ce7 Se16 Ce8 -113.18(4) 2_556 2_556
Se3 Ce7 Se16 Ce8 -28.33(4) 2_556 2_556
Se18 Ce7 Se16 Ce8 122.45(5) . 2_556
Se9 Ce7 Se16 Ce8 51.09(3) . 2_556
Se28 Ce7 Se16 Ce8 122.53(6) . 2_556
Se2 Ce7 Se16 Ce8 43.94(11) . 2_556
Ce8 Se16 C31A C36A 12.0(3) 2_556 .
Ce7 Se16 C31A C36A -81.1(4) . .
Ce8 Se16 C31A C32A -168.0(3) 2_556 .
Ce7 Se16 C31A C32A 98.9(3) . .
C36A C31A C32A C33A 0.00(6) . .
Se16 C31A C32A C33A 180.00(5) . .
C31A C32A C33A C34A 0.00(10) . .
C32A C33A C34A C35A 0.00(12) . .
C33A C34A C35A C36A 0.00(13) . .
C32A C31A C36A C35A 0.00(9) . .
Se16 C31A C36A C35A 180.00(6) . .
C34A C35A C36A C31A -0.01(13) . .
N5 Ce5 Se27 C37B -48.7(2) . .
Se5 Ce5 Se27 C37B 18.7(2) . .
Se4 Ce5 Se27 C37B 166.86(18) 2_556 .
Se25 Ce5 Se27 C37B -119.1(2) 2_556 .
Se10 Ce5 Se27 C37B 172.5(2) . .
Se1 Ce5 Se27 C37B 96.49(19) . .
Se15 Ce5 Se27 C37B -120.23(19) 2_556 .
N5 Ce5 Se27 Ce6 -169.10(13) . .
Se5 Ce5 Se27 Ce6 -101.75(6) . .
Se4 Ce5 Se27 Ce6 46.45(13) 2_556 .
Se25 Ce5 Se27 Ce6 120.52(10) 2_556 .
Se10 Ce5 Se27 Ce6 52.06(4) . .
Se1 Ce5 Se27 Ce6 -23.91(6) . .
Se15 Ce5 Se27 Ce6 119.37(7) 2_556 .
N5 Ce5 Se27 Na1B 94.50(17) . .
Se5 Ce5 Se27 Na1B 161.85(13) . .
Se4 Ce5 Se27 Na1B -49.94(16) 2_556 .
Se25 Ce5 Se27 Na1B 24.12(15) 2_556 .
Se10 Ce5 Se27 Na1B -44.34(13) . .
Se1 Ce5 Se27 Na1B -120.31(13) . .
Se15 Ce5 Se27 Na1B 22.97(13) 2_556 .
N6 Ce6 Se27 C37B 41.1(3) . .
Se7 Ce6 Se27 C37B 1.1(3) . .
Se1 Ce6 Se27 C37B -84.7(2) . .
Se15 Ce6 Se27 C37B 125.7(3) . .
Se10 Ce6 Se27 C37B -163.8(3) . .
Se25 Ce6 Se27 C37B 131.2(3) . .
Se4 Ce6 Se27 C37B -158.2(2) . .
N6 Ce6 Se27 Ce5 151.65(10) . .
Se7 Ce6 Se27 Ce5 111.65(6) . .
Se1 Ce6 Se27 Ce5 25.82(6) . .
Se15 Ce6 Se27 Ce5 -123.78(8) . .
Se10 Ce6 Se27 Ce5 -53.32(5) . .
Se25 Ce6 Se27 Ce5 -118.32(9) . .
Se4 Ce6 Se27 Ce5 -47.70(12) . .
N6 Ce6 Se27 Na1B -108.04(15) . .
Se7 Ce6 Se27 Na1B -148.04(14) . .
Se1 Ce6 Se27 Na1B 126.13(13) . .
Se15 Ce6 Se27 Na1B -23.47(14) . .
Se10 Ce6 Se27 Na1B 46.99(13) . .
Se25 Ce6 Se27 Na1B -18.01(15) . .
Se4 Ce6 Se27 Na1B 52.61(15) . .
Se27 Na1B Se27 C37B 172.75(14) 2_556 .
Se10 Na1B Se27 C37B 172.75(14) . .
Se25 Na1B Se27 C37B 107.5(2) 2_556 .
Se25 Na1B Se27 C37B -125.68(18) . .
N9B Na1B Se27 C37B -68.4(3) 2_556 .
N9B Na1B Se27 C37B 43.9(2) . .
Se27 Na1B Se27 Ce5 42.94(4) 2_556 .
Se10 Na1B Se27 Ce5 42.94(4) . .
Se25 Na1B Se27 Ce5 -22.33(15) 2_556 .
Se25 Na1B Se27 Ce5 104.51(13) . .
N9B Na1B Se27 Ce5 161.8(2) 2_556 .
N9B Na1B Se27 Ce5 -85.87(18) . .
Se27 Na1B Se27 Ce6 -44.50(4) 2_556 .
Se10 Na1B Se27 Ce6 -44.50(4) . .
Se25 Na1B Se27 Ce6 -109.76(13) 2_556 .
Se25 Na1B Se27 Ce6 17.07(16) . .
N9B Na1B Se27 Ce6 74.4(3) 2_556 .
N9B Na1B Se27 Ce6 -173.30(15) . .
Ce5 Se27 C37B C38B -27.4(3) . .
Ce6 Se27 C37B C38B 69.7(3) . .
Na1B Se27 C37B C38B -154.1(3) . .
Ce5 Se27 C37B C42B 152.6(3) . .
Ce6 Se27 C37B C42B -110.3(3) . .
Na1B Se27 C37B C42B 25.9(3) . .
C42B C37B C38B C39B -0.01(6) . .
Se27 C37B C38B C39B 180.00(4) . .
C37B C38B C39B C40B 0.01(9) . .
C38B C39B C40B C41B -0.01(13) . .
C39B C40B C41B C42B 0.01(15) . .
C38B C37B C42B C41B 0.01(9) . .
Se27 C37B C42B C41B -179.99(6) . .
C40B C41B C42B C37B -0.01(13) . .
N7 Ce7 Se18 C43A -61.51(12) . .
Se8 Ce7 Se18 C43A -133.60(10) 2_556 .
Se3 Ce7 Se18 C43A 118.75(12) 2_556 .
Se9 Ce7 Se18 C43A 70.36(10) . .
Se26 Ce7 Se18 C43A 8.10(11) . .
Se16 Ce7 Se18 C43A 8.89(11) . .
Se2 Ce7 Se18 C43A 149.31(11) . .
N7 Ce7 Se18 Ce8 -166.95(9) . .
Se8 Ce7 Se18 Ce8 120.96(4) 2_556 .
Se3 Ce7 Se18 Ce8 13.31(12) 2_556 .
Se9 Ce7 Se18 Ce8 -35.07(4) . .
Se26 Ce7 Se18 Ce8 -97.33(6) . .
Se16 Ce7 Se18 Ce8 -96.54(6) . .
Se2 Ce7 Se18 Ce8 43.87(4) . .
N8 Ce8 Se18 C43A 59.5(2) . .
Se6 Ce8 Se18 C43A 119.9(2) . .
Se2 Ce8 Se18 C43A -161.3(2) . .
Se26 Ce8 Se18 C43A -17.5(2) 2_556 .
Se9 Ce8 Se18 C43A -80.0(2) . .
Se16 Ce8 Se18 C43A -17.8(2) 2_556 .
Se3 Ce8 Se18 C43A -122.3(2) . .
N8 Ce8 Se18 Ce7 174.45(9) . .
Se6 Ce8 Se18 Ce7 -125.16(4) . .
Se2 Ce8 Se18 Ce7 -46.35(4) . .
Se26 Ce8 Se18 Ce7 97.53(9) 2_556 .
Se9 Ce8 Se18 Ce7 34.95(4) . .
Se16 Ce8 Se18 Ce7 97.17(8) 2_556 .
Se3 Ce8 Se18 Ce7 -7.36(12) . .
Ce7 Se18 C43A C48A 154.7(3) . .
Ce8 Se18 C43A C48A -109.5(3) . .
Ce7 Se18 C43A C44A -25.3(3) . .
Ce8 Se18 C43A C44A 70.5(3) . .
C48A C43A C44A C45A -0.01(6) . .
Se18 C43A C44A C45A 179.99(5) . .
C43A C44A C45A C46A 0.02(10) . .
C44A C45A C46A C47A -0.02(13) . .
C45A C46A C47A C48A 0.01(14) . .
C44A C43A C48A C47A 0.00(10) . .
Se18 C43A C48A C47A 180.00(6) . .
C46A C47A C48A C43A 0.00(13) . .
Se27 Na1B N9B C89B 33.2(4) 2_556 .
Se27 Na1B N9B C89B 164.2(3) . .
Se10 Na1B N9B C89B 106.0(3) . .
Se25 Na1B N9B C89B 96.8(3) 2_556 .
Se25 Na1B N9B C89B -125.5(13) . .
N9B Na1B N9B C89B -74.0(3) 2_556 .
Se27 Na1B N9B C93B -169.2(6) 2_556 .
Se27 Na1B N9B C93B -38.2(6) . .
Se10 Na1B N9B C93B -96.4(6) . .
Se25 Na1B N9B C93B -105.5(6) 2_556 .
Se25 Na1B N9B C93B 32.1(15) . .
N9B Na1B N9B C93B 83.6(6) 2_556 .
C93B N9B C89B C90B -2.9(8) . .
Na1B N9B C89B C90B 155.1(4) . .
N9B C89B C90B C91B -3.7(8) . .
C89B C90B C91B C92B 6.4(10) . .
C90B C91B C92B C93B -2.7(11) . .
C89B N9B C93B C92B 6.8(12) . .
Na1B N9B C93B C92B -151.3(7) . .
C91B C92B C93B N9B -4.3(13) . .
C98B N10B C94B C95B 5.4(11) . .
N10B C94B C95B C96B -6.4(9) . .
C94B C95B C96B C97B 7.3(9) . .
C95B C96B C97B C98B -7.4(11) . .
C94B N10B C98B C97B -5.2(16) . .
C96B C97B C98B N10B 6.2(17) . .
C115 N11A C111 C112 -9.4(11) . .
N11A C111 C112 C113 7.2(11) . .
C111 C112 C113 C114 -5.1(13) . .
C112 C113 C114 C115 5.6(12) . .
C111 N11A C115 C114 9.6(15) . .
C113 C114 C115 N11A -7.9(15) . .
C215 N11B C211 C212 0.6(8) . .
N11B C211 C212 C213 7.6(6) . .
C211 C212 C213 C214 -7.5(8) . .
C212 C213 C214 C215 -0.3(10) . .
C211 N11B C215 C214 -8.9(12) . .
C213 C214 C215 N11B 9.0(12) . .
C125 N12A C121 C122 -0.7(9) . .
N12A C121 C122 C123 9.4(7) . .
C121 C122 C123 C124 -9.3(8) . .
C122 C123 C124 C125 1.0(10) . .
C121 N12A C125 C124 -8.2(13) . .
C123 C124 C125 N12A 8.3(13) . .
C225 N12B C221 C222 5.9(8) . .
N12B C221 C222 C223 -5.3(6) . .
C221 C222 C223 C224 6.5(7) . .
C222 C223 C224 C225 -8.4(9) . .
C221 N12B C225 C224 -7.6(12) . .
C223 C224 C225 N12B 9.0(13) . .
C135 N13A C131 C132 8.4(13) . .
N13A C131 C132 C133 -3.1(13) . .
C131 C132 C133 C134 -4.9(15) . .
C132 C133 C134 C135 7.2(18) . .
C131 N13A C135 C134 -6(2) . .
C133 C134 C135 N13A -2(2) . .
C235 N13B C231 C232 -7(2) . .
N13B C231 C232 C233 6(2) . .
C231 C232 C233 C234 -6(2) . .
C232 C233 C234 C235 7(2) . .
C231 N13B C235 C234 8(2) . .
C233 C234 C235 N13B -8(2) . .
C145 N14 C141 C142 8.6(14) . .
N14 C141 C142 C143 -0.8(16) . .
C141 C142 C143 C144 -7.3(17) . .
C142 C143 C144 C145 7.3(19) . .
C141 N14 C145 C144 -9(2) . .
C143 C144 C145 N14 1(3) . .
