#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:11:46 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178839 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/93/4109377.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_4109377
loop_
_publ_author_name
'Santanu Banerjee'
'G. Ajith Kumar'
'Richard E. Riman'
'Thomas J. Emge'
'John G. Brennan'
_publ_section_title
;
 Oxoclusters of the Lanthanides Begin to Resemble Solid-State Materials at
 Very Small Cluster Sizes: Structure and NIR Emission from Nd(III)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5926
_journal_page_last               5931
_journal_paper_doi               10.1021/ja069000a
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C200 H184 Hg4 N20.8 Nd12 O6 Se30'
_chemical_formula_weight         7876.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.650(1)
_cell_angle_beta                 93.092(1)
_cell_angle_gamma                97.816(1)
_cell_formula_units_Z            1
_cell_length_a                   16.8241(12)
_cell_length_b                   17.8745(12)
_cell_length_c                   20.1482(14)
_cell_measurement_reflns_used    7408
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.75
_cell_measurement_theta_min      2.17
_cell_volume                     5959.6(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0900
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47070
_diffrn_reflns_theta_full        24.80
_diffrn_reflns_theta_max         24.80
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.758
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.6495
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.195
_exptl_crystal_description       lathe
_exptl_crystal_F_000             3638
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.641
_refine_diff_density_min         -3.140
_refine_diff_density_rms         0.288
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1069
_refine_ls_number_reflns         20305
_refine_ls_number_restraints     1278
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1137
_refine_ls_R_factor_gt           0.0655
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0990P)²+35.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1746
_refine_ls_wR_factor_ref         0.1922
_reflns_number_gt                12761
_reflns_number_total             20305
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja069000asi20061215_013136.cif
_cod_data_source_block           nd8oxpy
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0990P)^2^+35.0000P] 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^)+(0.0990P)^2^+35.0000P] 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               4109377
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_assembly
_atom_site_disorder_group
Hg1 Hg 0.77920(4) 0.62500(4) 0.96380(3) 0.03950(18) Uani 1 d . . .
Nd1 Nd 0.53389(5) 0.55518(4) 0.93194(4) 0.02412(19) Uani 1 d . . .
Nd2 Nd 0.50795(5) 0.75476(5) 0.91712(4) 0.0304(2) Uani 1 d . . .
Nd3 Nd 0.32757(5) 0.59246(5) 0.87409(4) 0.0269(2) Uani 1 d . . .
Nd4 Nd 0.37706(5) 0.38729(5) 0.89067(4) 0.0273(2) Uani 1 d . . .
Nd5 Nd 0.59050(5) 0.35419(4) 0.94048(4) 0.02613(19) Uani 1 d . . .
Nd6 Nd 0.46608(5) 0.50118(5) 0.74575(4) 0.0304(2) Uani 1 d . . .
O1 O 0.4421(5) 0.6442(5) 0.9436(4) 0.027(2) Uani 1 d . . .
O2 O 0.4228(5) 0.5095(5) 0.8499(4) 0.025(2) Uani 1 d . . .
O3 O 0.4918(5) 0.4297(5) 0.9530(4) 0.026(2) Uani 1 d . . .
Se1 Se 0.50734(9) 0.34856(9) 0.79744(7) 0.0324(4) Uani 1 d . . .
Se2 Se 0.60888(9) 0.45689(9) 0.82036(7) 0.0287(3) Uani 1 d . . .
Se3 Se 0.43201(9) 0.67791(9) 0.77979(7) 0.0352(4) Uani 1 d . . .
Se4 Se 0.56314(9) 0.65157(9) 0.80706(7) 0.0324(4) Uani 1 d . . .
Se5 Se 0.68570(8) 0.50002(8) 1.01084(7) 0.0268(3) Uani 1 d . . .
Se6 Se 0.64712(9) 0.70024(8) 0.98826(7) 0.0293(3) Uani 1 d . . .
Se7 Se 0.28422(9) 0.44964(9) 0.77455(7) 0.0315(4) Uani 1 d . . .
Se8 Se 0.45998(9) 0.21666(9) 0.93421(8) 0.0336(4) Uani 1 d . . .
C1 C 0.1845(9) 0.4033(10) 0.7273(7) 0.037(4) Uani 1 d U . .
C2 C 0.1353(9) 0.3489(10) 0.7530(8) 0.042(4) Uani 1 d U . .
H2 H 0.1505 0.3332 0.7938 0.051 Uiso 1 calc R . .
C3 C 0.0641(11) 0.3168(12) 0.7205(10) 0.062(5) Uani 1 d U . .
H3 H 0.0317 0.2788 0.7389 0.075 Uiso 1 calc R . .
C4 C 0.0404(12) 0.3393(13) 0.6622(11) 0.066(6) Uani 1 d U . .
H4 H -0.0072 0.3155 0.6394 0.080 Uiso 1 calc R . .
C5 C 0.0851(14) 0.3961(13) 0.6365(11) 0.076(6) Uani 1 d U . .
H5 H 0.0671 0.4131 0.5969 0.091 Uiso 1 calc R . .
C6 C 0.1559(11) 0.4286(11) 0.6680(9) 0.053(5) Uani 1 d U . .
H6 H 0.1863 0.4683 0.6502 0.063 Uiso 1 calc R . .
Se9 Se 0.57817(10) 0.17030(10) 0.89079(9) 0.0437(4) Uani 1 d . . .
C7 C 0.5428(12) 0.1347(11) 0.7985(10) 0.056(5) Uani 1 d U . .
C8 C 0.5902(12) 0.0861(12) 0.7669(10) 0.066(6) Uani 1 d U . .
H8 H 0.6339 0.0710 0.7896 0.080 Uiso 1 calc R . .
C9 C 0.5696(16) 0.0613(16) 0.7000(13) 0.106(8) Uani 1 d U . .
H9 H 0.6031 0.0321 0.6771 0.127 Uiso 1 calc R . .
C10 C 0.5027(17) 0.0774(16) 0.6659(12) 0.099(8) Uani 1 d U . .
H10 H 0.4890 0.0589 0.6214 0.118 Uiso 1 calc R . .
C11 C 0.4586(14) 0.1214(13) 0.7007(11) 0.077(6) Uani 1 d U . .
H11 H 0.4120 0.1330 0.6795 0.092 Uiso 1 calc R . .
C12 C 0.4782(12) 0.1514(11) 0.7677(9) 0.057(5) Uani 1 d U . .
H12 H 0.4457 0.1826 0.7897 0.068 Uiso 1 calc R . .
Se10 Se 0.66718(9) 0.25599(9) 1.03979(7) 0.0311(4) Uani 1 d . . .
C13 C 0.7455(9) 0.1898(8) 1.0275(8) 0.037(4) Uani 1 d U . .
C14 C 0.7639(10) 0.1434(11) 1.0738(9) 0.053(5) Uani 1 d U . .
H14 H 0.7343 0.1420 1.1115 0.064 Uiso 1 calc R . .
C15 C 0.8248(12) 0.0977(12) 1.0679(12) 0.072(6) Uani 1 d U . .
H15 H 0.8377 0.0682 1.1014 0.086 Uiso 1 calc R . .
C16 C 0.8644(12) 0.0984(13) 1.0107(12) 0.074(6) Uani 1 d U . .
H16 H 0.9058 0.0692 1.0053 0.089 Uiso 1 calc R . .
C17 C 0.8443(11) 0.1420(11) 0.9595(11) 0.062(5) Uani 1 d U . .
H17 H 0.8708 0.1414 0.9202 0.074 Uiso 1 calc R . .
C18 C 0.7839(10) 0.1855(10) 0.9698(10) 0.051(4) Uani 1 d U . .
H18 H 0.7685 0.2132 0.9357 0.061 Uiso 1 calc R . .
Se11 Se 0.74403(11) 0.61434(11) 0.83971(9) 0.0505(5) Uani 1 d . . .
C19 C 0.8226(12) 0.5752(12) 0.7969(10) 0.064(5) Uani 1 d U . .
C20 C 0.8771(14) 0.6252(14) 0.7610(11) 0.076(6) Uani 1 d U . .
H20 H 0.8713 0.6764 0.7631 0.091 Uiso 1 calc R . .
C21 C 0.9373(15) 0.5995(17) 0.7240(13) 0.094(7) Uani 1 d U . .
H21 H 0.9709 0.6327 0.7016 0.112 Uiso 1 calc R . .
C22 C 0.9466(13) 0.5205(14) 0.7211(11) 0.075(6) Uani 1 d U . .
H22 H 0.9889 0.5027 0.6996 0.090 Uiso 1 calc R . .
C23 C 0.8941(13) 0.4731(14) 0.7494(11) 0.076(6) Uani 1 d U . .
H23 H 0.8973 0.4214 0.7440 0.092 Uiso 1 calc R . .
C24 C 0.8317(13) 0.5003(13) 0.7888(11) 0.072(6) Uani 1 d U . .
H24 H 0.7971 0.4656 0.8089 0.086 Uiso 1 calc R . .
Se12 Se 0.88622(12) 0.66714(10) 1.05723(9) 0.0505(5) Uani 1 d . . .
C25 C 0.9059(10) 0.7744(11) 1.0589(9) 0.051(4) Uani 1 d U . .
C26 C 0.8737(13) 0.8167(12) 1.0102(11) 0.073(6) Uani 1 d U . .
H26 H 0.8418 0.7926 0.9730 0.087 Uiso 1 calc R . .
C27 C 0.8923(16) 0.8970(14) 1.0204(14) 0.100(8) Uani 1 d U . .
H27 H 0.8676 0.9252 0.9911 0.120 Uiso 1 calc R . .
C28 C 0.9418(12) 0.9336(12) 1.0685(11) 0.066(5) Uani 1 d U . .
H28 H 0.9546 0.9862 1.0715 0.079 Uiso 1 calc R . .
C29 C 0.9748(11) 0.8929(12) 1.1145(11) 0.068(6) Uani 1 d U . .
H29 H 1.0110 0.9184 1.1484 0.081 Uiso 1 calc R . .
C30 C 0.9553(11) 0.8145(12) 1.1114(11) 0.068(6) Uani 1 d U . .
H30 H 0.9756 0.7887 1.1450 0.082 Uiso 1 calc R . .
N1 N 0.4249(10) 0.3858(9) 0.6450(7) 0.055(4) Uani 1 d U . .
C31 C 0.4764(14) 0.3402(12) 0.6239(9) 0.070(6) Uani 1 d U . .
H31 H 0.5291 0.3500 0.6424 0.083 Uiso 1 calc R . .
C32 C 0.4553(19) 0.2775(14) 0.5747(11) 0.092(7) Uani 1 d U . .
H32 H 0.4928 0.2466 0.5610 0.110 Uiso 1 calc R . .
C33 C 0.3827(19) 0.2648(15) 0.5495(11) 0.092(7) Uani 1 d U . .
H33 H 0.3680 0.2232 0.5177 0.110 Uiso 1 calc R . .
C34 C 0.3257(15) 0.3089(14) 0.5668(10) 0.081(6) Uani 1 d U . .
H34 H 0.2734 0.3002 0.5475 0.097 Uiso 1 calc R . .
C35 C 0.3528(15) 0.3677(13) 0.6156(10) 0.073(6) Uani 1 d U . .
H35 H 0.3150 0.3983 0.6294 0.088 Uiso 1 calc R . .
N2 N 0.4540(8) 0.8783(8) 0.8848(7) 0.047(4) Uani 1 d U . .
C36 C 0.4442(11) 0.8933(10) 0.8215(9) 0.053(5) Uani 1 d U . .
H36 H 0.4573 0.8590 0.7875 0.064 Uiso 1 calc R . .
C37 C 0.4152(12) 0.9579(11) 0.8046(10) 0.062(5) Uani 1 d U . .
H37 H 0.4084 0.9668 0.7601 0.074 Uiso 1 calc R . .
C38 C 0.3969(11) 1.0080(12) 0.8539(11) 0.060(5) Uani 1 d U . .
H38 H 0.3798 1.0530 0.8433 0.072 Uiso 1 calc R . .
C39 C 0.4032(13) 0.9935(11) 0.9195(11) 0.067(5) Uani 1 d U . .
H39 H 0.3888 1.0268 0.9537 0.080 Uiso 1 calc R . .
C40 C 0.4316(12) 0.9275(11) 0.9322(10) 0.060(5) Uani 1 d U . .
H40 H 0.4356 0.9164 0.9763 0.073 Uiso 1 calc R . .
N3 N 0.2426(7) 0.6605(8) 0.7847(6) 0.040(3) Uani 1 d U . .
C41 C 0.1819(9) 0.6170(10) 0.7446(7) 0.039(4) Uani 1 d U . .
H41 H 0.1656 0.5667 0.7515 0.047 Uiso 1 calc R . .
C42 C 0.1447(11) 0.6498(12) 0.6928(9) 0.059(5) Uani 1 d U . .
H42 H 0.1067 0.6199 0.6627 0.070 Uiso 1 calc R . .
C43 C 0.1643(14) 0.7266(13) 0.6863(10) 0.075(6) Uani 1 d U . .
H43 H 0.1370 0.7489 0.6538 0.090 Uiso 1 calc R . .
C44 C 0.2223(12) 0.7682(13) 0.7268(9) 0.063(5) Uani 1 d U . .
H44 H 0.2378 0.8192 0.7218 0.076 Uiso 1 calc R . .
C45 C 0.2598(10) 0.7339(11) 0.7772(9) 0.047(4) Uani 1 d U . .
H45 H 0.2984 0.7638 0.8068 0.057 Uiso 1 calc R . .
N4 N 0.1704(7) 0.5796(8) 0.8939(6) 0.038(3) Uani 1 d U . .
C46 C 0.1265(9) 0.5097(10) 0.8853(9) 0.045(4) Uani 1 d U . .
H46 H 0.1515 0.4667 0.8770 0.054 Uiso 1 calc R . .
C47 C 0.0448(11) 0.5029(13) 0.8890(12) 0.073(6) Uani 1 d U . .
H47 H 0.0144 0.4552 0.8789 0.088 Uiso 1 calc R . .
C48 C 0.0063(13) 0.5640(13) 0.9069(12) 0.074(6) Uani 1 d U . .
H48 H -0.0490 0.5578 0.9111 0.089 Uiso 1 calc R . .
C49 C 0.0515(10) 0.6344(12) 0.9184(10) 0.058(5) Uani 1 d U . .
H49 H 0.0282 0.6768 0.9329 0.070 Uiso 1 calc R . .
C50 C 0.1325(9) 0.6408(10) 0.9081(8) 0.045(4) Uani 1 d U . .
H50 H 0.1622 0.6890 0.9111 0.054 Uiso 1 calc R . .
N5 N 0.3014(8) 0.2614(8) 0.8194(6) 0.039(3) Uani 1 d U . .
C51 C 0.2986(11) 0.2511(11) 0.7510(8) 0.051(5) Uani 1 d U . .
H51 H 0.3256 0.2895 0.7294 0.062 Uiso 1 calc R . .
C52 C 0.2610(12) 0.1918(12) 0.7139(10) 0.061(5) Uani 1 d U . .
H52 H 0.2638 0.1874 0.6678 0.074 Uiso 1 calc R . .
C53 C 0.2165(14) 0.1351(13) 0.7448(11) 0.077(6) Uani 1 d U . .
H53 H 0.1860 0.0934 0.7199 0.093 Uiso 1 calc R . .
C54 C 0.2197(11) 0.1433(12) 0.8131(10) 0.064(5) Uani 1 d U . .
H54 H 0.1924 0.1053 0.8352 0.077 Uiso 1 calc R . .
C55 C 0.2615(9) 0.2051(10) 0.8492(9) 0.046(4) Uani 1 d U . .
H55 H 0.2627 0.2088 0.8957 0.055 Uiso 1 calc R . .
N6 N 0.7318(8) 0.3420(8) 0.8900(6) 0.041(3) Uani 1 d U . .
C56 C 0.8023(10) 0.3655(11) 0.9231(9) 0.050(4) Uani 1 d U . .
H56 H 0.8025 0.3941 0.9642 0.060 Uiso 1 calc R . .
C57 C 0.8726(11) 0.3513(12) 0.9021(11) 0.064(5) Uani 1 d U . .
H57 H 0.9198 0.3721 0.9273 0.077 Uiso 1 calc R . .
C58 C 0.8762(12) 0.3069(12) 0.8445(11) 0.063(5) Uani 1 d U . .
H58 H 0.9252 0.2952 0.8305 0.076 Uiso 1 calc R . .
C59 C 0.8064(12) 0.2795(12) 0.8070(10) 0.065(5) Uani 1 d U . .
H59 H 0.8065 0.2495 0.7665 0.077 Uiso 1 calc R . .
C60 C 0.7332(11) 0.2986(10) 0.8323(8) 0.048(4) Uani 1 d U . .
H60 H 0.6849 0.2802 0.8078 0.058 Uiso 1 calc R . .
N7A N 0.3946(9) 0.5491(9) 0.6318(6) 0.011(4) Uiso 0.50 d PGU A 1
C61A C 0.4255(9) 0.5310(10) 0.5706(7) 0.019(6) Uiso 0.50 d PGU A 1
H61A H 0.4661 0.5007 0.5678 0.023 Uiso 0.50 calc PR A 1
C62A C 0.3955(12) 0.5583(12) 0.5135(6) 0.048(9) Uiso 0.50 d PGU A 1
H62A H 0.4161 0.5463 0.4725 0.058 Uiso 0.50 calc PR A 1
C63A C 0.3347(12) 0.6037(12) 0.5176(9) 0.038(7) Uiso 0.50 d PGU A 1
H63A H 0.3147 0.6220 0.4794 0.045 Uiso 0.50 calc PR A 1
C64A C 0.3039(12) 0.6218(13) 0.5788(11) 0.065(6) Uiso 0.50 d PGU A 1
H64A H 0.2632 0.6521 0.5816 0.078 Uiso 0.50 calc PR A 1
C65A C 0.3338(11) 0.5944(12) 0.6360(8) 0.038(5) Uiso 0.50 d PGU A 1
H65A H 0.3132 0.6065 0.6769 0.046 Uiso 0.50 calc PR A 1
N8A N 0.6292(10) 0.8573(11) 0.8873(11) 0.041(4) Uiso 0.50 d PGU B 1
C66A C 0.6342(11) 0.9346(12) 0.9068(11) 0.039(7) Uiso 0.50 d PGU B 1
H66A H 0.5906 0.9541 0.9248 0.047 Uiso 0.50 calc PR B 1
C67A C 0.7045(14) 0.9829(9) 0.8994(12) 0.061(10) Uiso 0.50 d PGU B 1
H67A H 0.7079 1.0347 0.9125 0.073 Uiso 0.50 calc PR B 1
C68A C 0.7698(11) 0.9539(11) 0.8725(12) 0.049(9) Uiso 0.50 d PGU B 1
H68A H 0.8168 0.9862 0.8676 0.059 Uiso 0.50 calc PR B 1
C69A C 0.7647(10) 0.8765(12) 0.8530(11) 0.045(8) Uiso 0.50 d PGU B 1
H69A H 0.8084 0.8571 0.8350 0.054 Uiso 0.50 calc PR B 1
C70A C 0.6944(12) 0.8282(9) 0.8603(11) 0.032(7) Uiso 0.50 d PGU B 1
H70A H 0.6911 0.7764 0.8473 0.038 Uiso 0.50 calc PR B 1
N9A N 0.5881(8) 0.5452(10) 0.6687(8) 0.025(5) Uiso 0.50 d PGU A 1
C71A C 0.6523(11) 0.5041(9) 0.6630(9) 0.021(6) Uiso 0.50 d PGU A 1
H71A H 0.6509 0.4584 0.6816 0.026 Uiso 0.50 calc PR A 1
C72A C 0.7185(10) 0.5313(13) 0.6294(12) 0.065(12) Uiso 0.50 d PGU A 1
H72A H 0.7614 0.5038 0.6256 0.078 Uiso 0.50 calc PR A 1
C73A C 0.7204(11) 0.5996(13) 0.6016(12) 0.073(11) Uiso 0.50 d PGU A 1
H73A H 0.7647 0.6178 0.5791 0.087 Uiso 0.50 calc PR A 1
C74A C 0.6563(13) 0.6407(10) 0.6074(11) 0.048(9) Uiso 0.50 d PGU A 1
H74A H 0.6576 0.6864 0.5888 0.057 Uiso 0.50 calc PR A 1
C75A C 0.5901(10) 0.6135(10) 0.6409(10) 0.034(7) Uiso 0.50 d PGU A 1
H75A H 0.5471 0.6410 0.6448 0.041 Uiso 0.50 calc PR A 1
N7B N 0.4220(14) 0.5775(14) 0.6420(12) 0.059(8) Uiso 0.50 d PGU A 2
C61B C 0.4743(12) 0.6248(18) 0.6081(15) 0.094(14) Uiso 0.50 d PGU A 2
H61B H 0.5296 0.6264 0.6157 0.113 Uiso 0.50 calc PR A 2
C62B C 0.4441(18) 0.6695(17) 0.5629(15) 0.115(17) Uiso 0.50 d PGU A 2
H62B H 0.4791 0.7011 0.5403 0.138 Uiso 0.50 calc PR A 2
C63B C 0.361(2) 0.6670(16) 0.5516(14) 0.095(14) Uiso 0.50 d PGU A 2
H63B H 0.3412 0.6969 0.5214 0.114 Uiso 0.50 calc PR A 2
C64B C 0.3091(13) 0.6197(17) 0.5855(14) 0.065(6) Uiso 0.50 d PGU A 2
H64B H 0.2539 0.6180 0.5780 0.078 Uiso 0.50 calc PR A 2
C65B C 0.3394(13) 0.5750(14) 0.6307(12) 0.038(5) Uiso 0.50 d PGU A 2
H65B H 0.3044 0.5433 0.6534 0.046 Uiso 0.50 calc PR A 2
N8B N 0.6309(14) 0.8460(14) 0.8846(14) 0.041(4) Uiso 0.50 d PGU B 2
C66B C 0.6680(18) 0.8982(18) 0.9365(11) 0.090(13) Uiso 0.50 d PGU B 2
H66B H 0.6585 0.8907 0.9805 0.107 Uiso 0.50 calc PR B 2
C67B C 0.7193(18) 0.9615(16) 0.9224(17) 0.094(14) Uiso 0.50 d PGU B 2
H67B H 0.7442 0.9965 0.9571 0.113 Uiso 0.50 calc PR B 2
C68B C 0.733(2) 0.9727(17) 0.857(2) 0.123(17) Uiso 0.50 d PGU B 2
H68B H 0.7678 1.0151 0.8471 0.148 Uiso 0.50 calc PR B 2
C69B C 0.696(2) 0.920(2) 0.8047(14) 0.15(2) Uiso 0.50 d PGU B 2
H69B H 0.7058 0.9279 0.7606 0.184 Uiso 0.50 calc PR B 2
C70B C 0.6450(19) 0.8571(18) 0.8187(12) 0.090(13) Uiso 0.50 d PGU B 2
H70B H 0.6201 0.8222 0.7841 0.108 Uiso 0.50 calc PR B 2
N9B N 0.5817(12) 0.5092(15) 0.6519(12) 0.067(9) Uiso 0.50 d PGU A 2
C71B C 0.6591(14) 0.5442(15) 0.6726(9) 0.045(8) Uiso 0.50 d PGU A 2
H71B H 0.6728 0.5595 0.7177 0.054 Uiso 0.50 calc PR A 2
C72B C 0.7162(11) 0.5562(15) 0.6259(12) 0.052(10) Uiso 0.50 d PGU A 2
H72B H 0.7680 0.5796 0.6398 0.063 Uiso 0.50 calc PR A 2
C73B C 0.6957(15) 0.5333(17) 0.5585(11) 0.080(12) Uiso 0.50 d PGU A 2
H73B H 0.7339 0.5413 0.5273 0.096 Uiso 0.50 calc PR A 2
C74B C 0.6183(17) 0.4984(16) 0.5378(9) 0.083(13) Uiso 0.50 d PGU A 2
H74B H 0.6046 0.4831 0.4927 0.100 Uiso 0.50 calc PR A 2
C75B C 0.5612(12) 0.4863(16) 0.5844(13) 0.081(13) Uiso 0.50 d PGU A 2
H75B H 0.5094 0.4630 0.5706 0.098 Uiso 0.50 calc PR A 2
N10 N 0.040(4) 0.076(3) 0.192(3) 0.35(2) Uiso 1 d GU . .
C76 C -0.028(5) 0.070(3) 0.228(3) 0.41(3) Uiso 1 d GU . .
H76 H -0.0431 0.0265 0.2483 0.492 Uiso 1 calc R . .
C77 C -0.074(3) 0.129(5) 0.233(3) 0.39(3) Uiso 1 d GU . .
H77 H -0.1197 0.1252 0.2569 0.465 Uiso 1 calc R . .
C78 C -0.051(4) 0.194(4) 0.202(3) 0.39(3) Uiso 1 d GU . .
H78 H -0.0820 0.2339 0.2055 0.465 Uiso 1 calc R . .
C79 C 0.017(5) 0.200(3) 0.166(3) 0.33(2) Uiso 1 d GU . .
H79 H 0.0322 0.2440 0.1456 0.392 Uiso 1 calc R . .
C80 C 0.063(3) 0.141(5) 0.161(2) 0.39(2) Uiso 1 d GU . .
H80 H 0.1087 0.1453 0.1370 0.469 Uiso 1 calc R . .
Hg2 Hg -0.05310(19) 0.3464(2) 0.48927(12) 0.1256(13) Uani 0.40 d PDU C 1
Se13 Se -0.1035(4) 0.4669(5) 0.5240(4) 0.124(3) Uani 0.40 d PDU C 1
C81 C -0.0238(9) 0.5512(9) 0.5290(9) 0.077(15) Uiso 0.40 d PGDU C 1
C82 C 0.0438(10) 0.5464(12) 0.4930(11) 0.004(5) Uiso 0.40 d PGDU C 1
H82 H 0.0489 0.5016 0.4669 0.004 Uiso 0.40 calc PR C 1
C83 C 0.1039(12) 0.6085(16) 0.4960(15) 0.090(18) Uiso 0.40 d PGDU C 1
H83 H 0.1491 0.6053 0.4719 0.108 Uiso 0.40 calc PR C 1
C84 C 0.0963(19) 0.6755(14) 0.535(2) 0.19(3) Uiso 0.40 d PGDU C 1
H84 H 0.1364 0.7171 0.5369 0.223 Uiso 0.40 calc PR C 1
C85 C 0.029(2) 0.6803(13) 0.571(2) 0.19(3) Uiso 0.40 d PGDU C 1
H85 H 0.0235 0.7251 0.5970 0.224 Uiso 0.40 calc PR C 1
C86 C -0.0314(19) 0.6182(13) 0.5679(19) 0.13(2) Uiso 0.40 d PGDU C 1
H86 H -0.0767 0.6214 0.5920 0.161 Uiso 0.40 calc PR C 1
Se14 Se 0.0825(5) 0.3282(6) 0.4451(4) 0.143(4) Uani 0.40 d PDU C 1
C87 C 0.1035(17) 0.2290(13) 0.460(2) 0.27(4) Uiso 0.40 d PGDU C 1
C88 C 0.102(3) 0.206(2) 0.523(3) 0.16(3) Uiso 0.40 d PGDU C 1
H88 H 0.0903 0.2394 0.5590 0.191 Uiso 0.40 calc PR C 1
C89 C 0.117(4) 0.134(3) 0.534(4) 0.19(3) Uiso 0.40 d PGDU C 1
H89 H 0.1157 0.1185 0.5771 0.227 Uiso 0.40 calc PR C 1
C90 C 0.134(4) 0.084(2) 0.481(5) 0.33(4) Uiso 0.40 d PGDU C 1
H90 H 0.1442 0.0356 0.4884 0.395 Uiso 0.40 calc PR C 1
C91 C 0.136(6) 0.107(2) 0.417(4) 0.36(4) Uiso 0.40 d PGDU C 1
H91 H 0.1472 0.0736 0.3817 0.434 Uiso 0.40 calc PR C 1
C92 C 0.121(5) 0.179(2) 0.406(3) 0.36(3) Uiso 0.40 d PGDU C 1
H92 H 0.1217 0.1946 0.3636 0.434 Uiso 0.40 calc PR C 1
Se15 Se -0.1414(5) 0.2221(6) 0.4963(4) 0.146(4) Uani 0.40 d PDU C 1
C93 C -0.2186(9) 0.2446(10) 0.5599(7) 0.085(15) Uiso 0.40 d PGDU C 1
C94 C -0.2047(12) 0.3123(12) 0.6017(11) 0.052(11) Uiso 0.40 d PGDU C 1
H94 H -0.1584 0.3465 0.5988 0.062 Uiso 0.40 calc PR C 1
C95 C -0.2600(15) 0.3291(14) 0.6478(12) 0.034(9) Uiso 0.40 d PGDU C 1
H95 H -0.2507 0.3745 0.6758 0.041 Uiso 0.40 calc PR C 1
C96 C -0.3292(14) 0.2781(16) 0.6521(12) 0.066(13) Uiso 0.40 d PGDU C 1
H96 H -0.3662 0.2893 0.6830 0.079 Uiso 0.40 calc PR C 1
C97 C -0.3431(15) 0.2103(17) 0.6103(17) 0.070(13) Uiso 0.40 d PGDU C 1
H97 H -0.3894 0.1762 0.6132 0.084 Uiso 0.40 calc PR C 1
C98 C -0.2878(14) 0.1935(13) 0.5642(14) 0.060(12) Uiso 0.40 d PGDU C 1
H98 H -0.2971 0.1482 0.5363 0.072 Uiso 0.40 calc PR C 1
Hg2B Hg -0.0146(8) 0.2279(8) 0.5157(7) 0.120(4) Uiso 0.10 d PD D 2
Se23 Se 0.087(3) 0.254(3) 0.425(2) 0.400 Uiso 0.10 d PD D 2
C231 C 0.083(10) 0.196(11) 0.340(6) 0.400 Uiso 0.10 d PGDU D 2
C232 C 0.12(2) 0.130(14) 0.333(15) 0.400 Uiso 0.10 d PGDU D 2
H232 H 0.1417 0.1133 0.3707 0.480 Uiso 0.10 calc PR D 2
C233 C 0.11(3) 0.09(2) 0.271(19) 0.400 Uiso 0.10 d PGDU D 2
H233 H 0.1369 0.0428 0.2672 0.480 Uiso 0.10 calc PR D 2
C234 C 0.08(3) 0.11(3) 0.216(14) 0.400 Uiso 0.10 d PGDU D 2
H234 H 0.0752 0.0837 0.1743 0.480 Uiso 0.10 calc PR D 2
C235 C 0.04(3) 0.18(3) 0.222(6) 0.400 Uiso 0.10 d PGDU D 2
H235 H 0.0185 0.1951 0.1848 0.480 Uiso 0.10 calc PR D 2
C236 C 0.05(2) 0.22(2) 0.284(5) 0.400 Uiso 0.10 d PGDU D 2
H236 H 0.0233 0.2657 0.2884 0.480 Uiso 0.10 calc PR D 2
Se24 Se 0.0175(19) 0.1344(17) 0.5916(15) 0.131(12) Uiso 0.10 d PD D 2
C241 C -0.073(3) 0.109(3) 0.642(3) 0.112(14) Uiso 0.10 d PGDU D 2
C242 C -0.137(4) 0.057(6) 0.614(5) 0.099(16) Uiso 0.10 d PGDU D 2
H242 H -0.1366 0.0346 0.5699 0.119 Uiso 0.10 calc PR D 2
C243 C -0.203(5) 0.038(8) 0.650(7) 0.067(12) Uiso 0.10 d PGDU D 2
H243 H -0.2467 0.0028 0.6314 0.081 Uiso 0.10 calc PR D 2
C244 C -0.205(5) 0.070(7) 0.716(6) 0.074(13) Uiso 0.10 d PGDU D 2
H244 H -0.2486 0.0576 0.7404 0.089 Uiso 0.10 calc PR D 2
C245 C -0.140(7) 0.122(9) 0.744(5) 0.098(16) Uiso 0.10 d PGDU D 2
H245 H -0.1405 0.1443 0.7881 0.117 Uiso 0.10 calc PR D 2
C246 C -0.074(6) 0.141(7) 0.708(4) 0.105(16) Uiso 0.10 d PGDU D 2
H246 H -0.0305 0.1761 0.7267 0.126 Uiso 0.10 calc PR D 2
Se25 Se -0.1298(14) 0.3009(15) 0.5131(14) 0.098(9) Uiso 0.10 d PD D 2
C251 C -0.2174(18) 0.281(2) 0.5688(17) 0.016(19) Uiso 0.10 d PGDU D 2
C252 C -0.229(3) 0.333(3) 0.622(3) 0.009(18) Uiso 0.10 d PGDU D 2
H252 H -0.1945 0.3781 0.6310 0.010 Uiso 0.10 calc PR D 2
C253 C -0.293(4) 0.317(4) 0.662(3) 0.016(19) Uiso 0.10 d PGDU D 2
H253 H -0.3012 0.3517 0.6973 0.019 Uiso 0.10 calc PR D 2
C254 C -0.345(4) 0.249(4) 0.648(3) 0.02(2) Uiso 0.10 d PGDU D 2
H254 H -0.3879 0.2384 0.6749 0.024 Uiso 0.10 calc PR D 2
C255 C -0.333(5) 0.197(4) 0.595(5) 0.03(2) Uiso 0.10 d PGDU D 2
H255 H -0.3680 0.1515 0.5862 0.040 Uiso 0.10 calc PR D 2
C256 C -0.269(4) 0.213(3) 0.555(4) 0.05(2) Uiso 0.10 d PGDU D 2
H256 H -0.2614 0.1779 0.5198 0.057 Uiso 0.10 calc PR D 2
N341 N -0.051(2) 0.119(2) 0.651(2) 0.112(14) Uiso 0.40 d PGU E 3
C342 C -0.129(2) 0.101(2) 0.6219(15) 0.099(16) Uiso 0.40 d PGU E 3
H342 H -0.1388 0.1052 0.5767 0.119 Uiso 0.40 calc PR E 3
C343 C -0.1921(18) 0.077(2) 0.6601(18) 0.067(12) Uiso 0.40 d PGU E 3
H343 H -0.2441 0.0650 0.6404 0.081 Uiso 0.40 calc PR E 3
C344 C -0.177(2) 0.071(2) 0.7278(17) 0.074(13) Uiso 0.40 d PGU E 3
H344 H -0.2195 0.0547 0.7533 0.089 Uiso 0.40 calc PR E 3
C345 C -0.100(2) 0.089(2) 0.7572(15) 0.098(16) Uiso 0.40 d PGU E 3
H345 H -0.0897 0.0847 0.8025 0.117 Uiso 0.40 calc PR E 3
C346 C -0.0365(18) 0.113(2) 0.719(2) 0.105(16) Uiso 0.40 d PGU E 3
H346 H 0.0155 0.1249 0.7388 0.126 Uiso 0.40 calc PR E 3
Hg3 Hg 0.4430(3) 0.95515(15) 0.53554(13) 0.1670(15) Uani 0.50 d PDU . .
Se16 Se 0.3544(6) 0.8799(4) 0.6107(3) 0.155(3) Uani 0.50 d PDU . .
C99 C 0.2615(12) 0.9281(13) 0.6038(12) 0.101(16) Uiso 0.50 d PGDU . .
C100 C 0.259(2) 0.987(2) 0.563(2) 0.24(3) Uiso 0.50 d PGDU . .
H100 H 0.3033 1.0022 0.5398 0.283 Uiso 0.50 calc PR . .
C101 C 0.191(3) 1.022(3) 0.558(3) 0.24(3) Uiso 0.50 d PGDU . .
H101 H 0.1890 1.0611 0.5315 0.288 Uiso 0.50 calc PR . .
C102 C 0.125(2) 0.999(3) 0.594(3) 0.24(3) Uiso 0.50 d PGDU . .
H102 H 0.0788 1.0222 0.5905 0.291 Uiso 0.50 calc PR . .
C103 C 0.1270(17) 0.940(3) 0.634(3) 0.23(3) Uiso 0.50 d PGDU . .
H103 H 0.0828 0.9245 0.6577 0.279 Uiso 0.50 calc PR . .
C104 C 0.1955(16) 0.905(3) 0.639(2) 0.24(3) Uiso 0.50 d PGDU . .
H104 H 0.1971 0.8656 0.6661 0.282 Uiso 0.50 calc PR . .
Se17 Se 0.5832(6) 0.9491(5) 0.5214(4) 0.142(4) Uani 0.50 d PDU . .
C105 C 0.6130(17) 0.8834(10) 0.5851(9) 0.126(19) Uiso 0.50 d PGDU . .
C106 C 0.555(2) 0.846(2) 0.6219(17) 0.15(2) Uiso 0.50 d PGDU . .
H106 H 0.5018 0.8530 0.6157 0.177 Uiso 0.50 calc PR . .
C107 C 0.578(3) 0.799(2) 0.6680(19) 0.14(2) Uiso 0.50 d PGDU . .
H107 H 0.5394 0.7737 0.6926 0.168 Uiso 0.50 calc PR . .
C108 C 0.658(3) 0.788(2) 0.6773(17) 0.20(3) Uiso 0.50 d PGDU . .
H108 H 0.6731 0.7566 0.7081 0.239 Uiso 0.50 calc PR . .
C109 C 0.716(3) 0.826(3) 0.640(2) 0.25(3) Uiso 0.50 d PGDU . .
H109 H 0.7693 0.8188 0.6467 0.306 Uiso 0.50 calc PR . .
C110 C 0.6932(18) 0.873(2) 0.5944(19) 0.17(3) Uiso 0.50 d PGDU . .
H110 H 0.7317 0.8981 0.5698 0.203 Uiso 0.50 calc PR . .
Se18 Se 0.3636(5) 1.0445(5) 0.4717(4) 0.122(3) Uani 0.50 d PDU . .
C111 C 0.4352(12) 1.1095(8) 0.4259(9) 0.081(13) Uiso 0.50 d PGDU . .
C112 C 0.4069(15) 1.1420(19) 0.3710(14) 0.120(19) Uiso 0.50 d PGDU . .
H112 H 0.3527 1.1320 0.3566 0.144 Uiso 0.50 calc PR . .
C113 C 0.460(2) 1.190(2) 0.3378(17) 0.12(2) Uiso 0.50 d PGDU . .
H113 H 0.4408 1.2114 0.3010 0.147 Uiso 0.50 calc PR . .
C114 C 0.541(2) 1.2046(16) 0.3593(17) 0.110(17) Uiso 0.50 d PGDU . .
H114 H 0.5760 1.2365 0.3371 0.132 Uiso 0.50 calc PR . .
C115 C 0.5689(14) 1.1721(19) 0.4142(18) 0.13(2) Uiso 0.50 d PGDU . .
H115 H 0.6231 1.1821 0.4286 0.161 Uiso 0.50 calc PR . .
C116 C 0.5162(12) 1.1245(16) 0.4475(14) 0.094(15) Uiso 0.50 d PGDU . .
H116 H 0.5351 1.1027 0.4842 0.113 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'
O O 0.0106 0.0060 '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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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
Se12 Hg1 Se11 146.38(7) . .
Se12 Hg1 Se6 108.84(6) . .
Se11 Hg1 Se6 90.54(5) . .
Se12 Hg1 Se5 103.09(6) . .
Se11 Hg1 Se5 105.87(6) . .
Se6 Hg1 Se5 84.84(5) . .
O3 Nd1 O1 118.7(3) . .
O3 Nd1 O3 77.8(3) . 2_667
O1 Nd1 O3 73.3(3) . 2_667
O3 Nd1 O2 75.2(3) . .
O1 Nd1 O2 73.9(3) . .
O3 Nd1 O2 119.0(3) 2_667 .
O3 Nd1 Se6 142.2(2) . .
O1 Nd1 Se6 78.8(2) . .
O3 Nd1 Se6 76.1(2) 2_667 .
O2 Nd1 Se6 142.0(2) . .
O3 Nd1 Se2 76.1(2) . .
O1 Nd1 Se2 140.3(2) . .
O3 Nd1 Se2 145.2(2) 2_667 .
O2 Nd1 Se2 75.5(2) . .
Se6 Nd1 Se2 112.93(5) . .
O3 Nd1 Se4 139.2(2) . .
O1 Nd1 Se4 76.4(2) . .
O3 Nd1 Se4 141.2(2) 2_667 .
O2 Nd1 Se4 73.6(2) . .
Se6 Nd1 Se4 74.70(4) . .
Se2 Nd1 Se4 71.19(4) . .
O3 Nd1 Se5 73.6(2) . .
O1 Nd1 Se5 141.5(2) . .
O3 Nd1 Se5 74.5(2) 2_667 .
O2 Nd1 Se5 141.9(2) . .
Se6 Nd1 Se5 73.46(4) . .
Se2 Nd1 Se5 76.31(4) . .
Se4 Nd1 Se5 119.78(4) . .
O3 Nd1 Se5 60.8(2) . 2_667
O1 Nd1 Se5 57.9(2) . 2_667
O3 Nd1 Se5 59.5(2) 2_667 2_667
O2 Nd1 Se5 59.5(2) . 2_667
Se6 Nd1 Se5 123.97(4) . 2_667
Se2 Nd1 Se5 123.07(4) . 2_667
Se4 Nd1 Se5 120.59(4) . 2_667
Se5 Nd1 Se5 119.63(3) . 2_667
O1 Nd2 N8B 155.9(6) . .
O1 Nd2 N2 130.8(4) . .
N8B Nd2 N2 72.9(6) . .
O1 Nd2 N8A 159.7(5) . .
N8B Nd2 N8A 4.2(8) . .
N2 Nd2 N8A 69.3(5) . .
O1 Nd2 Se8 82.1(2) . 2_667
N8B Nd2 Se8 97.6(6) . 2_667
N2 Nd2 Se8 103.7(3) . 2_667
N8A Nd2 Se8 96.2(5) . 2_667
O1 Nd2 Se6 82.2(2) . .
N8B Nd2 Se6 77.5(6) . .
N2 Nd2 Se6 142.5(3) . .
N8A Nd2 Se6 79.9(5) . .
Se8 Nd2 Se6 58.04(4) 2_667 .
O1 Nd2 Se4 82.3(2) . .
N8B Nd2 Se4 81.2(6) . .
N2 Nd2 Se4 117.8(3) . .
N8A Nd2 Se4 85.1(4) . .
Se8 Nd2 Se4 135.59(5) 2_667 .
Se6 Nd2 Se4 78.78(4) . .
O1 Nd2 Se3 77.5(2) . .
N8B Nd2 Se3 102.8(6) . .
N2 Nd2 Se3 86.6(3) . .
N8A Nd2 Se3 104.5(5) . .
Se8 Nd2 Se3 159.14(5) 2_667 .
Se6 Nd2 Se3 122.38(5) . .
Se4 Nd2 Se3 45.57(4) . .
O1 Nd2 Se10 59.0(2) . 2_667
N8B Nd2 Se10 144.9(6) . 2_667
N2 Nd2 Se10 73.7(3) . 2_667
N8A Nd2 Se10 140.8(4) . 2_667
Se8 Nd2 Se10 80.12(4) 2_667 2_667
Se6 Nd2 Se10 126.69(5) . 2_667
Se4 Nd2 Se10 124.58(5) . 2_667
Se3 Nd2 Se10 85.65(5) . 2_667
O1 Nd3 O2 75.4(3) . .
O1 Nd3 N4 132.0(4) . .
O2 Nd3 N4 137.0(4) . .
O1 Nd3 N3 128.8(4) . .
O2 Nd3 N3 126.8(3) . .
N4 Nd3 N3 66.9(4) . .
O1 Nd3 Se5 77.3(2) . 2_667
O2 Nd3 Se5 79.1(2) . 2_667
N4 Nd3 Se5 77.4(3) . 2_667
N3 Nd3 Se5 144.2(3) . 2_667
O1 Nd3 Se3 77.5(2) . .
O2 Nd3 Se3 77.9(2) . .
N4 Nd3 Se3 133.1(3) . .
N3 Nd3 Se3 66.5(3) . .
Se5 Nd3 Se3 149.32(5) 2_667 .
O1 Nd3 Se10 59.2(2) . 2_667
O2 Nd3 Se10 134.4(2) . 2_667
N4 Nd3 Se10 83.0(3) . 2_667
N3 Nd3 Se10 83.3(3) . 2_667
Se5 Nd3 Se10 94.40(4) 2_667 2_667
Se3 Nd3 Se10 87.41(5) . 2_667
O1 Nd3 Se7 134.3(2) . .
O2 Nd3 Se7 58.9(2) . .
N4 Nd3 Se7 86.1(3) . .
N3 Nd3 Se7 84.9(3) . .
Se5 Nd3 Se7 91.16(4) 2_667 .
Se3 Nd3 Se7 94.12(5) . .
Se10 Nd3 Se7 166.41(5) 2_667 .
O3 Nd4 O2 76.5(3) . .
O3 Nd4 N5 140.5(3) . .
O2 Nd4 N5 127.4(4) . .
O3 Nd4 Se5 81.3(2) . 2_667
O2 Nd4 Se5 77.0(2) . 2_667
N5 Nd4 Se5 130.4(3) . 2_667
O3 Nd4 Se6 78.8(2) . 2_667
O2 Nd4 Se6 146.6(2) . 2_667
N5 Nd4 Se6 85.8(3) . 2_667
Se5 Nd4 Se6 77.36(4) 2_667 2_667
O3 Nd4 Se1 76.8(2) . .
O2 Nd4 Se1 77.2(2) . .
N5 Nd4 Se1 79.1(3) . .
Se5 Nd4 Se1 149.30(5) 2_667 .
Se6 Nd4 Se1 118.25(5) 2_667 .
O3 Nd4 Se7 133.9(2) . .
O2 Nd4 Se7 57.4(2) . .
N5 Nd4 Se7 76.7(3) . .
Se5 Nd4 Se7 89.27(4) 2_667 .
Se6 Nd4 Se7 142.76(5) 2_667 .
Se1 Nd4 Se7 90.68(4) . .
O3 Nd4 Se8 74.1(2) . .
O2 Nd4 Se8 139.0(2) . .
N5 Nd4 Se8 68.2(3) . .
Se5 Nd4 Se8 124.93(4) 2_667 .
Se6 Nd4 Se8 50.17(4) 2_667 .
Se1 Nd4 Se8 68.76(4) . .
Se7 Nd4 Se8 141.80(4) . .
O3 Nd5 O1 73.8(3) . 2_667
O3 Nd5 N6 144.6(4) . .
O1 Nd5 N6 128.1(3) 2_667 .
O3 Nd5 Se5 78.7(2) . .
O1 Nd5 Se5 74.8(2) 2_667 .
N6 Nd5 Se5 81.5(3) . .
O3 Nd5 Se8 88.0(2) . .
O1 Nd5 Se8 78.3(2) 2_667 .
N6 Nd5 Se8 120.9(3) . .
Se5 Nd5 Se8 152.42(5) . .
O3 Nd5 Se1 75.1(2) . .
O1 Nd5 Se1 140.6(2) 2_667 .
N6 Nd5 Se1 91.1(3) . .
Se5 Nd5 Se1 121.49(5) . .
Se8 Nd5 Se1 77.05(5) . .
O3 Nd5 Se10 131.1(2) . .
O1 Nd5 Se10 57.5(2) 2_667 .
N6 Nd5 Se10 78.2(3) . .
Se5 Nd5 Se10 91.73(4) . .
Se8 Nd5 Se10 78.86(4) . .
Se1 Nd5 Se10 143.42(5) . .
O3 Nd5 Se2 76.0(2) . .
O1 Nd5 Se2 143.0(2) 2_667 .
N6 Nd5 Se2 71.6(3) . .
Se5 Nd5 Se2 78.74(4) . .
Se8 Nd5 Se2 121.54(5) . .
Se1 Nd5 Se2 44.59(4) . .
Se10 Nd5 Se2 149.34(5) . .
O3 Nd5 Se9 130.5(2) . .
O1 Nd5 Se9 103.0(2) 2_667 .
N6 Nd5 Se9 76.5(3) . .
Se5 Nd5 Se9 149.70(5) . .
Se8 Nd5 Se9 44.60(4) . .
Se1 Nd5 Se9 79.83(4) . .
Se10 Nd5 Se9 63.71(4) . .
Se2 Nd5 Se9 112.86(5) . .
O2 Nd6 N9A 145.2(5) . .
O2 Nd6 N7B 127.4(6) . .
N9A Nd6 N7B 65.9(6) . .
O2 Nd6 N1 127.9(4) . .
N9A Nd6 N1 84.1(5) . .
N7B Nd6 N1 78.0(6) . .
O2 Nd6 N9B 154.9(6) . .
N9A Nd6 N9B 14.3(6) . .
N7B Nd6 N9B 68.5(7) . .
N1 Nd6 N9B 70.5(6) . .
O2 Nd6 N7A 127.1(4) . .
N9A Nd6 N7A 73.8(5) . .
N7B Nd6 N7A 13.4(6) . .
N1 Nd6 N7A 67.3(5) . .
N9B Nd6 N7A 73.3(6) . .
O2 Nd6 Se2 80.8(2) . .
N9A Nd6 Se2 77.7(3) . .
N7B Nd6 Se2 143.2(5) . .
N1 Nd6 Se2 104.2(3) . .
N9B Nd6 Se2 77.6(5) . .
N7A Nd6 Se2 150.9(3) . .
O2 Nd6 Se4 78.9(2) . .
N9A Nd6 Se4 69.3(4) . .
N7B Nd6 Se4 86.8(5) . .
N1 Nd6 Se4 153.0(3) . .
N9B Nd6 Se4 83.2(6) . .
N7A Nd6 Se4 99.8(4) . .
Se2 Nd6 Se4 75.14(4) . .
O2 Nd6 Se1 77.8(2) . .
N9A Nd6 Se1 104.9(4) . .
N7B Nd6 Se1 149.0(5) . .
N1 Nd6 Se1 71.5(3) . .
N9B Nd6 Se1 95.6(5) . .
N7A Nd6 Se1 138.6(3) . .
Se2 Nd6 Se1 45.55(4) . .
Se4 Nd6 Se1 118.68(5) . .
O2 Nd6 Se7 57.6(2) . .
N9A Nd6 Se7 155.1(4) . .
N7B Nd6 Se7 92.1(5) . .
N1 Nd6 Se7 80.0(3) . .
N9B Nd6 Se7 147.2(5) . .
N7A Nd6 Se7 82.5(3) . .
Se2 Nd6 Se7 124.67(5) . .
Se4 Nd6 Se7 123.25(5) . .
Se1 Nd6 Se7 88.03(5) . .
O2 Nd6 Se3 73.8(2) . .
N9A Nd6 Se3 91.7(4) . .
N7B Nd6 Se3 61.9(5) . .
N1 Nd6 Se3 137.3(3) . .
N9B Nd6 Se3 104.7(6) . .
N7A Nd6 Se3 70.8(3) . .
Se2 Nd6 Se3 116.34(5) . .
Se4 Nd6 Se3 43.47(4) . .
Se1 Nd6 Se3 149.00(4) . .
Se7 Nd6 Se3 87.28(4) . .
Nd2 O1 Nd3 115.9(4) . .
Nd2 O1 Nd1 105.9(4) . .
Nd3 O1 Nd1 106.1(4) . .
Nd2 O1 Nd5 114.4(4) . 2_667
Nd3 O1 Nd5 109.4(4) . 2_667
Nd1 O1 Nd5 104.1(3) . 2_667
Nd6 O2 Nd3 117.6(4) . .
Nd6 O2 Nd1 110.7(4) . .
Nd3 O2 Nd1 103.8(3) . .
Nd6 O2 Nd4 114.8(4) . .
Nd3 O2 Nd4 108.7(3) . .
Nd1 O2 Nd4 99.2(3) . .
Nd4 O3 Nd5 114.7(4) . .
Nd4 O3 Nd1 108.0(3) . .
Nd5 O3 Nd1 112.7(4) . .
Nd4 O3 Nd1 110.2(4) . 2_667
Nd5 O3 Nd1 108.3(3) . 2_667
Nd1 O3 Nd1 102.2(3) . 2_667
Se2 Se1 Nd4 102.82(6) . .
Se2 Se1 Nd5 69.05(5) . .
Nd4 Se1 Nd5 76.11(4) . .
Se2 Se1 Nd6 63.70(5) . .
Nd4 Se1 Nd6 79.04(4) . .
Nd5 Se1 Nd6 118.99(5) . .
Se1 Se2 Nd6 70.75(5) . .
Se1 Se2 Nd1 101.71(6) . .
Nd6 Se2 Nd1 77.60(4) . .
Se1 Se2 Nd5 66.37(5) . .
Nd6 Se2 Nd5 122.16(5) . .
Nd1 Se2 Nd5 75.19(4) . .
Se4 Se3 Nd3 104.27(6) . .
Se4 Se3 Nd2 65.37(5) . .
Nd3 Se3 Nd2 78.97(4) . .
Se4 Se3 Nd6 62.83(5) . .
Nd3 Se3 Nd6 77.07(4) . .
Nd2 Se3 Nd6 113.98(5) . .
Se3 Se4 Nd2 69.06(6) . .
Se3 Se4 Nd6 73.70(6) . .
Nd2 Se4 Nd6 124.13(6) . .
Se3 Se4 Nd1 101.54(6) . .
Nd2 Se4 Nd1 72.72(4) . .
Nd6 Se4 Nd1 75.79(4) . .
Hg1 Se5 Nd3 142.68(6) . 2_667
Hg1 Se5 Nd4 87.47(4) . 2_667
Nd3 Se5 Nd4 81.37(4) 2_667 2_667
Hg1 Se5 Nd5 132.84(5) . .
Nd3 Se5 Nd5 80.55(4) 2_667 .
Nd4 Se5 Nd5 126.17(5) 2_667 .
Hg1 Se5 Nd1 85.62(4) . .
Nd3 Se5 Nd1 124.41(5) 2_667 .
Nd4 Se5 Nd1 74.20(4) 2_667 .
Nd5 Se5 Nd1 75.48(4) . .
Hg1 Se6 Nd2 141.53(6) . .
Hg1 Se6 Nd4 87.70(4) . 2_667
Nd2 Se6 Nd4 120.90(5) . 2_667
Hg1 Se6 Nd1 89.61(4) . .
Nd2 Se6 Nd1 74.71(4) . .
Nd4 Se6 Nd1 76.48(4) 2_667 .
C1 Se7 Nd3 132.2(4) . .
C1 Se7 Nd4 127.1(5) . .
Nd3 Se7 Nd4 78.39(4) . .
C1 Se7 Nd6 139.5(5) . .
Nd3 Se7 Nd6 78.61(4) . .
Nd4 Se7 Nd6 78.06(4) . .
Se9 Se8 Se6 163.66(8) . 2_667
Se9 Se8 Nd2 106.41(7) . 2_667
Se6 Se8 Nd2 61.11(4) 2_667 2_667
Se9 Se8 Nd5 73.44(6) . .
Se6 Se8 Nd5 93.34(5) 2_667 .
Nd2 Se8 Nd5 81.22(4) 2_667 .
Se9 Se8 Nd4 126.30(7) . .
Se6 Se8 Nd4 53.38(4) 2_667 .
Nd2 Se8 Nd4 103.38(5) 2_667 .
Nd5 Se8 Nd4 68.25(4) . .
C2 C1 C6 116.6(15) . .
C2 C1 Se7 121.1(12) . .
C6 C1 Se7 122.1(14) . .
C1 C2 C3 121.5(17) . .
C4 C3 C2 120(2) . .
C3 C4 C5 120.4(19) . .
C4 C5 C6 119.9(19) . .
C5 C6 C1 121.0(19) . .
C7 Se9 Se8 102.8(6) . .
C7 Se9 Nd5 118.6(6) . .
Se8 Se9 Nd5 61.96(5) . .
C12 C7 C8 121.1(19) . .
C12 C7 Se9 124.3(15) . .
C8 C7 Se9 114.5(15) . .
C9 C8 C7 117(2) . .
C10 C9 C8 124(2) . .
C11 C10 C9 115(2) . .
C10 C11 C12 124(2) . .
C7 C12 C11 119(2) . .
C13 Se10 Nd3 131.5(5) . 2_667
C13 Se10 Nd2 137.2(5) . 2_667
Nd3 Se10 Nd2 78.53(4) 2_667 2_667
C13 Se10 Nd5 130.7(5) . .
Nd3 Se10 Nd5 78.01(4) 2_667 .
Nd2 Se10 Nd5 78.40(4) 2_667 .
C14 C13 C18 117.3(15) . .
C14 C13 Se10 122.4(13) . .
C18 C13 Se10 120.3(12) . .
C13 C14 C15 123.6(18) . .
C16 C15 C14 116.7(19) . .
C15 C16 C17 121.8(18) . .
C18 C17 C16 117.4(19) . .
C13 C18 C17 122.9(18) . .
C19 Se11 Hg1 108.6(5) . .
C24 C19 C20 115(2) . .
C24 C19 Se11 125.6(18) . .
C20 C19 Se11 118.6(16) . .
C21 C20 C19 123(2) . .
C20 C21 C22 119(2) . .
C23 C22 C21 119(2) . .
C22 C23 C24 122(2) . .
C19 C24 C23 122(2) . .
C25 Se12 Hg1 104.6(5) . .
C30 C25 C26 117.6(19) . .
C30 C25 Se12 117.5(15) . .
C26 C25 Se12 124.9(14) . .
C27 C26 C25 117.5(19) . .
C28 C27 C26 124(2) . .
C27 C28 C29 119(2) . .
C28 C29 C30 122(2) . .
C25 C30 C29 121(2) . .
C35 N1 C31 113.7(19) . .
C35 N1 Nd6 124.0(13) . .
C31 N1 Nd6 122.3(14) . .
N1 C31 C32 123(2) . .
C33 C32 C31 118(2) . .
C32 C33 C34 124(2) . .
C33 C34 C35 114(2) . .
N1 C35 C34 128(2) . .
C36 N2 C40 117.2(15) . .
C36 N2 Nd2 122.5(11) . .
C40 N2 Nd2 120.2(12) . .
N2 C36 C37 122.4(18) . .
C38 C37 C36 118.8(19) . .
C37 C38 C39 120.8(19) . .
C40 C39 C38 117.0(19) . .
N2 C40 C39 123.7(19) . .
C45 N3 C41 119.1(14) . .
C45 N3 Nd3 122.3(11) . .
C41 N3 Nd3 118.7(11) . .
N3 C41 C42 118.7(17) . .
C43 C42 C41 120.5(18) . .
C44 C43 C42 119.5(18) . .
C43 C44 C45 119(2) . .
N3 C45 C44 123.0(18) . .
C50 N4 C46 118.9(14) . .
C50 N4 Nd3 122.4(11) . .
C46 N4 Nd3 118.6(10) . .
N4 C46 C47 119.2(17) . .
C46 C47 C48 122(2) . .
C49 C48 C47 118(2) . .
C48 C49 C50 118.5(18) . .
N4 C50 C49 122.5(17) . .
C55 N5 C51 116.0(16) . .
C55 N5 Nd4 121.1(11) . .
C51 N5 Nd4 122.8(12) . .
C52 C51 N5 125(2) . .
C51 C52 C53 118.7(19) . .
C54 C53 C52 117.2(19) . .
C55 C54 C53 122(2) . .
N5 C55 C54 121.2(18) . .
C56 N6 C60 116.0(15) . .
C56 N6 Nd5 124.3(11) . .
C60 N6 Nd5 118.6(11) . .
N6 C56 C57 125.1(19) . .
C56 C57 C58 120.4(19) . .
C57 C58 C59 118.8(18) . .
C58 C59 C60 117.4(18) . .
N6 C60 C59 122.2(18) . .
C61A N7A C65A 120.0 . .
C61A N7A Nd6 118.2(7) . .
C65A N7A Nd6 121.7(7) . .
C62A C61A N7A 120.0 . .
C63A C62A C61A 120.0 . .
C64A C63A C62A 120.0 . .
C65A C64A C63A 120.0 . .
C64A C65A N7A 120.0 . .
C66A N8A C70A 120.0 . .
C66A N8A Nd2 123.0(10) . .
C70A N8A Nd2 116.2(10) . .
N8A C66A C67A 120.0 . .
C66A C67A C68A 120.0 . .
C69A C68A C67A 120.0 . .
C68A C69A C70A 120.0 . .
C69A C70A N8A 120.0 . .
C71A N9A C75A 120.0 . .
C71A N9A Nd6 120.3(8) . .
C75A N9A Nd6 119.3(8) . .
C72A C71A N9A 120.0 . .
C71A C72A C73A 120.0 . .
C74A C73A C72A 120.0 . .
C75A C74A C73A 120.0 . .
C74A C75A N9A 120.0 . .
C61B N7B C65B 120.0 . .
C61B N7B Nd6 125.2(12) . .
C65B N7B Nd6 114.2(12) . .
C62B C61B N7B 120.0 . .
C63B C62B C61B 120.0 . .
C64B C63B C62B 120.0 . .
C63B C64B C65B 120.0 . .
C64B C65B N7B 120.0 . .
C66B N8B C70B 120.0 . .
C66B N8B Nd2 114.9(15) . .
C70B N8B Nd2 122.7(15) . .
N8B C66B C67B 120.0 . .
C68B C67B C66B 120.0 . .
C67B C68B C69B 120.0 . .
C70B C69B C68B 120.0 . .
C69B C70B N8B 120.0 . .
C71B N9B C75B 120.0 . .
C71B N9B Nd6 118.4(12) . .
C75B N9B Nd6 121.2(12) . .
N9B C71B C72B 120.0 . .
C73B C72B C71B 120.0 . .
C74B C73B C72B 120.0 . .
C75B C74B C73B 120.0 . .
C74B C75B N9B 120.0 . .
C76 N10 C80 120.0 . .
C76 N10 C235 81(10) . .
C80 N10 C235 49(10) . .
C77 C76 N10 120.0 . .
C78 C77 C76 120.0 . .
C77 C78 C79 120.0 . .
C80 C79 C78 120.0 . .
C79 C80 N10 120.0 . .
Se13 Hg2 Se15 119.4(3) . .
Se13 Hg2 Se14 128.1(4) . .
Se15 Hg2 Se14 112.4(3) . .
C81 Se13 Hg2 112.8(7) . .
C82 C81 C86 120.0 . .
C82 C81 Se13 119.0(9) . .
C86 C81 Se13 121.0(9) . .
C81 C82 C83 120.0 . .
C84 C83 C82 120.0 . .
C83 C84 C85 120.0 . .
C84 C85 C86 120.0 . .
C85 C86 C81 120.0 . .
C87 Se14 Hg2 108.4(11) . .
C88 C87 C92 120.0 . .
C88 C87 Se14 119.8(16) . .
C92 C87 Se14 120.2(16) . .
C89 C88 C87 120.0 . .
C88 C89 C90 120.0 . .
C91 C90 C89 120.0 . .
C90 C91 C92 120.0 . .
C91 C92 C87 120.0 . .
C93 Se15 Hg2 105.5(6) . .
C94 C93 C98 120.0 . .
C94 C93 Se15 119.5(9) . .
C98 C93 Se15 120.5(9) . .
C95 C94 C93 120.0 . .
C94 C95 C96 120.0 . .
C95 C96 C97 120.0 . .
C98 C97 C96 120.0 . .
C97 C98 C93 120.0 . .
Se24 Hg2B Se25 129.4(9) . .
Se24 Hg2B Se23 115.6(9) . .
Se25 Hg2B Se23 114.9(9) . .
C231 Se23 Hg2B 125(5) . .
C232 C231 C236 120.0 . .
C232 C231 Se23 120.0(11) . .
C236 C231 Se23 120.0(11) . .
C231 C232 C233 120.00(8) . .
C232 C233 C234 120.00(16) . .
C235 C234 C233 120.00(13) . .
C234 C235 C236 120.00(12) . .
C234 C235 N10 28(10) . .
C236 C235 N10 136(10) . .
C235 C236 C231 120.00(8) . .
C241 Se24 Hg2B 109.1(17) . .
C242 C241 C246 120.0 . .
C242 C241 Se24 119.8(11) . .
C246 C241 Se24 120.2(11) . .
C243 C242 C241 120.0 . .
C244 C243 C242 120.00(13) . .
C243 C244 C245 120.00(13) . .
C246 C245 C244 120.0 . .
C245 C246 C241 120.00(7) . .
C251 Se25 Hg2B 121.2(14) . .
C252 C251 C256 120.0 . .
C252 C251 Se25 121.0(10) . .
C256 C251 Se25 119.0(10) . .
C251 C252 C253 120.0 . .
C254 C253 C252 120.0 . .
C253 C254 C255 120.00(6) . .
C256 C255 C254 120.00(8) . .
C255 C256 C251 120.0 . .
C342 N341 C346 120.0 . .
C343 C342 N341 120.0 . .
C342 C343 C344 120.0 . .
C345 C344 C343 120.0 . .
C346 C345 C344 120.0 . .
C345 C346 N341 120.0 . .
Se17 Hg3 Se16 126.5(4) . .
Se17 Hg3 Se18 121.9(4) . .
Se16 Hg3 Se18 111.6(3) . .
C99 Se16 Hg3 99.8(10) . .
C100 C99 C104 120.0 . .
C100 C99 Se16 120.2(10) . .
C104 C99 Se16 119.8(10) . .
C99 C100 C101 120.0 . .
C102 C101 C100 120.0 . .
C103 C102 C101 120.0 . .
C102 C103 C104 120.00(6) . .
C103 C104 C99 120.0 . .
C105 Se17 Hg3 104.5(9) . .
C106 C105 C110 120.0 . .
C106 C105 Se17 120.6(10) . .
C110 C105 Se17 119.4(10) . .
C107 C106 C105 120.0 . .
C106 C107 C108 120.00(6) . .
C107 C108 C109 120.0 . .
C108 C109 C110 120.0 . .
C109 C110 C105 120.0 . .
C111 Se18 Hg3 110.0(7) . .
C112 C111 C116 120.0 . .
C112 C111 Se18 120.3(10) . .
C116 C111 Se18 119.7(10) . .
C113 C112 C111 120.0 . .
C112 C113 C114 120.0 . .
C115 C114 C113 120.0 . .
C116 C115 C114 120.0 . .
C115 C116 C111 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Hg1 Se12 2.5178(19) .
Hg1 Se11 2.5205(19) .
Hg1 Se6 2.7911(15) .
Hg1 Se5 2.8258(16) .
Nd1 O3 2.345(9) .
Nd1 O1 2.369(9) .
Nd1 O3 2.376(9) 2_667
Nd1 O2 2.425(9) .
Nd1 Se6 3.0795(17) .
Nd1 Se2 3.1406(16) .
Nd1 Se4 3.2092(16) .
Nd1 Se5 3.2523(15) .
Nd1 Se5 3.9552(16) 2_667
Nd2 O1 2.256(10) .
Nd2 N8B 2.61(2) .
Nd2 N2 2.624(13) .
Nd2 N8A 2.686(16) .
Nd2 Se8 2.9956(17) 2_667
Nd2 Se6 3.0032(16) .
Nd2 Se4 3.0107(17) .
Nd2 Se3 3.0932(18) .
Nd2 Se10 3.1030(17) 2_667
Nd3 O1 2.345(9) .
Nd3 O2 2.365(9) .
Nd3 N4 2.678(12) .
Nd3 N3 2.718(13) .
Nd3 Se5 2.9779(16) 2_667
Nd3 Se3 3.0385(18) .
Nd3 Se10 3.0577(17) 2_667
Nd3 Se7 3.0658(17) .
Nd4 O3 2.244(9) .
Nd4 O2 2.449(9) .
Nd4 N5 2.670(14) .
Nd4 Se5 3.0212(16) 2_667
Nd4 Se6 3.0413(16) 2_667
Nd4 Se1 3.0679(17) .
Nd4 Se7 3.1224(16) .
Nd4 Se8 3.6837(17) .
Nd5 O3 2.287(9) .
Nd5 O1 2.426(9) 2_667
Nd5 N6 2.663(13) .
Nd5 Se5 3.0433(17) .
Nd5 Se8 3.0532(18) .
Nd5 Se1 3.1213(16) .
Nd5 Se10 3.1270(16) .
Nd5 Se2 3.1817(16) .
Nd5 Se9 3.3157(19) .
Nd6 O2 2.256(9) .
Nd6 N9A 2.718(13) .
Nd6 N7B 2.73(2) .
Nd6 N1 2.737(16) .
Nd6 N9B 2.785(18) .
Nd6 N7A 2.796(12) .
Nd6 Se2 3.0034(16) .
Nd6 Se4 3.0582(18) .
Nd6 Se1 3.1631(17) .
Nd6 Se7 3.1743(18) .
Nd6 Se3 3.2994(18) .
O1 Nd5 2.426(9) 2_667
O3 Nd1 2.376(9) 2_667
Se1 Se2 2.392(2) .
Se3 Se4 2.365(2) .
Se5 Nd3 2.9779(16) 2_667
Se5 Nd4 3.0212(16) 2_667
Se6 Nd4 3.0413(16) 2_667
Se7 C1 1.924(15) .
Se8 Se9 2.429(2) .
Se8 Se6 2.910(2) 2_667
Se8 Nd2 2.9956(17) 2_667
C1 C2 1.35(2) .
C1 C6 1.40(2) .
C2 C3 1.36(2) .
C3 C4 1.34(3) .
C4 C5 1.34(3) .
C5 C6 1.35(3) .
Se9 C7 1.940(19) .
C7 C12 1.31(3) .
C7 C8 1.39(3) .
C8 C9 1.39(3) .
C9 C10 1.37(3) .
C10 C11 1.33(3) .
C11 C12 1.41(3) .
Se10 C13 1.897(14) .
Se10 Nd3 3.0577(17) 2_667
Se10 Nd2 3.1028(17) 2_667
C13 C14 1.36(2) .
C13 C18 1.36(2) .
C14 C15 1.40(2) .
C15 C16 1.36(3) .
C16 C17 1.41(3) .
C17 C18 1.37(2) .
Se11 C19 1.80(2) .
C19 C24 1.36(3) .
C19 C20 1.46(3) .
C20 C21 1.39(3) .
C21 C22 1.44(3) .
C22 C23 1.33(3) .
C23 C24 1.46(3) .
Se12 C25 1.898(19) .
C25 C30 1.38(3) .
C25 C26 1.42(3) .
C26 C27 1.42(3) .
C27 C28 1.30(3) .
C28 C29 1.37(3) .
C29 C30 1.39(3) .
N1 C35 1.31(3) .
N1 C31 1.33(2) .
C31 C32 1.42(3) .
C32 C33 1.28(3) .
C33 C34 1.36(3) .
C34 C35 1.38(3) .
N2 C36 1.34(2) .
N2 C40 1.34(2) .
C36 C37 1.38(2) .
C37 C38 1.35(3) .
C38 C39 1.37(3) .
C39 C40 1.37(3) .
N3 C45 1.33(2) .
N3 C41 1.368(19) .
C41 C42 1.41(2) .
C42 C43 1.39(3) .
C43 C44 1.33(3) .
C44 C45 1.40(2) .
N4 C50 1.352(19) .
N4 C46 1.35(2) .
C46 C47 1.37(2) .
C47 C48 1.37(3) .
C48 C49 1.37(3) .
C49 C50 1.38(2) .
N5 C55 1.34(2) .
N5 C51 1.37(2) .
C51 C52 1.30(2) .
C52 C53 1.39(3) .
C53 C54 1.37(3) .
C54 C55 1.35(2) .
N6 C56 1.32(2) .
N6 C60 1.34(2) .
C56 C57 1.33(2) .
C57 C58 1.35(3) .
C58 C59 1.36(3) .
C59 C60 1.43(2) .
N7A C61A 1.3900 .
N7A C65A 1.3900 .
C61A C62A 1.3900 .
C62A C63A 1.3900 .
C63A C64A 1.3900 .
C64A C65A 1.3900 .
N8A C66A 1.3900 .
N8A C70A 1.3900 .
C66A C67A 1.3900 .
C67A C68A 1.3900 .
C68A C69A 1.3900 .
C69A C70A 1.3900 .
N9A C71A 1.3900 .
N9A C75A 1.3900 .
C71A C72A 1.3900 .
C72A C73A 1.3900 .
C73A C74A 1.3900 .
C74A C75A 1.3900 .
N7B C61B 1.3900 .
N7B C65B 1.3900 .
C61B C62B 1.3900 .
C62B C63B 1.3900 .
C63B C64B 1.3900 .
C64B C65B 1.3900 .
N8B C66B 1.3900 .
N8B C70B 1.3900 .
C66B C67B 1.3900 .
C67B C68B 1.3900 .
C68B C69B 1.3900 .
C69B C70B 1.3900 .
N9B C71B 1.3900 .
N9B C75B 1.3900 .
C71B C72B 1.3900 .
C72B C73B 1.3900 .
C73B C74B 1.3900 .
C74B C75B 1.3900 .
N10 C76 1.3900 .
N10 C80 1.3900 .
N10 C235 1.9(5) .
C76 C77 1.3900 .
C77 C78 1.3900 .
C78 C79 1.3900 .
C79 C80 1.3900 .
Hg2 Se13 2.471(9) .
Hg2 Se15 2.521(10) .
Hg2 Se14 2.543(8) .
Se13 C81 1.868(12) .
C81 C82 1.3900 .
C81 C86 1.3900 .
C82 C83 1.3900 .
C83 C84 1.3900 .
C84 C85 1.3900 .
C85 C86 1.3900 .
Se14 C87 1.901(19) .
C87 C88 1.3900 .
C87 C92 1.3900 .
C88 C89 1.3900 .
C89 C90 1.3900 .
C90 C91 1.3900 .
C91 C92 1.3900 .
Se15 C93 1.927(11) .
C93 C94 1.3900 .
C93 C98 1.3900 .
C94 C95 1.3900 .
C95 C96 1.3900 .
C96 C97 1.3900 .
C97 C98 1.3900 .
Hg2B Se24 2.466(17) .
Hg2B Se25 2.481(17) .
Hg2B Se23 2.605(19) .
Se23 C231 1.905(13) .
C231 C232 1.3900 .
C231 C236 1.3900 .
C232 C233 1.3900 .
C233 C234 1.3900(10) .
C234 C235 1.3900(12) .
C235 C236 1.390(2) .
Se24 C241 1.903(13) .
C241 C242 1.3900 .
C241 C246 1.3900 .
C242 C243 1.3900 .
C243 C244 1.3900 .
C244 C245 1.390(2) .
C245 C246 1.3900(11) .
Se25 C251 1.917(13) .
C251 C252 1.3900 .
C251 C256 1.3900 .
C252 C253 1.3900 .
C253 C254 1.3900 .
C254 C255 1.3900 .
C255 C256 1.3900 .
N341 C342 1.3900 .
N341 C346 1.3900 .
C342 C343 1.3900 .
C343 C344 1.3900 .
C344 C345 1.3900 .
C345 C346 1.3900 .
Hg3 Se17 2.406(10) .
Hg3 Se16 2.535(7) .
Hg3 Se18 2.605(10) .
Se16 C99 1.889(12) .
C99 C100 1.3900 .
C99 C104 1.3900 .
C100 C101 1.3900 .
C101 C102 1.3900 .
C102 C103 1.3900 .
C103 C104 1.3900 .
Se17 C105 1.914(12) .
C105 C106 1.3900 .
C105 C110 1.3900 .
C106 C107 1.3900 .
C107 C108 1.3900 .
C108 C109 1.3900 .
C109 C110 1.3900 .
Se18 C111 1.897(12) .
C111 C112 1.3900 .
C111 C116 1.3900 .
C112 C113 1.3900 .
C113 C114 1.3900 .
C114 C115 1.3900 .
C115 C116 1.3900 .
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
N8B Nd2 O1 Nd3 -122.3(15) . .
N2 Nd2 O1 Nd3 45.4(7) . .
N8A Nd2 O1 Nd3 -127.0(15) . .
Se8 Nd2 O1 Nd3 146.7(4) 2_667 .
Se6 Nd2 O1 Nd3 -154.6(4) . .
Se4 Nd2 O1 Nd3 -75.0(4) . .
Se3 Nd2 O1 Nd3 -28.9(3) . .
Se10 Nd2 O1 Nd3 63.5(3) 2_667 .
N8B Nd2 O1 Nd1 -5.0(17) . .
N2 Nd2 O1 Nd1 162.7(4) . .
N8A Nd2 O1 Nd1 -9.6(17) . .
Se8 Nd2 O1 Nd1 -96.0(3) 2_667 .
Se6 Nd2 O1 Nd1 -37.3(3) . .
Se4 Nd2 O1 Nd1 42.3(3) . .
Se3 Nd2 O1 Nd1 88.4(3) . .
Se10 Nd2 O1 Nd1 -179.2(4) 2_667 .
N8B Nd2 O1 Nd5 109.0(16) . 2_667
N2 Nd2 O1 Nd5 -83.3(6) . 2_667
N8A Nd2 O1 Nd5 104.4(15) . 2_667
Se8 Nd2 O1 Nd5 18.0(3) 2_667 2_667
Se6 Nd2 O1 Nd5 76.7(3) . 2_667
Se4 Nd2 O1 Nd5 156.3(3) . 2_667
Se3 Nd2 O1 Nd5 -157.6(4) . 2_667
Se10 Nd2 O1 Nd5 -65.1(3) 2_667 2_667
O2 Nd3 O1 Nd2 110.1(5) . .
N4 Nd3 O1 Nd2 -108.4(5) . .
N3 Nd3 O1 Nd2 -15.8(6) . .
Se5 Nd3 O1 Nd2 -168.1(4) 2_667 .
Se3 Nd3 O1 Nd2 29.5(3) . .
Se10 Nd3 O1 Nd2 -65.0(3) 2_667 .
Se7 Nd3 O1 Nd2 113.0(3) . .
O2 Nd3 O1 Nd1 -7.1(3) . .
N4 Nd3 O1 Nd1 134.4(4) . .
N3 Nd3 O1 Nd1 -133.0(4) . .
Se5 Nd3 O1 Nd1 74.8(3) 2_667 .
Se3 Nd3 O1 Nd1 -87.7(3) . .
Se10 Nd3 O1 Nd1 177.8(4) 2_667 .
Se7 Nd3 O1 Nd1 -4.2(5) . .
O2 Nd3 O1 Nd5 -118.8(4) . 2_667
N4 Nd3 O1 Nd5 22.7(6) . 2_667
N3 Nd3 O1 Nd5 115.3(4) . 2_667
Se5 Nd3 O1 Nd5 -37.0(3) 2_667 2_667
Se3 Nd3 O1 Nd5 160.6(3) . 2_667
Se10 Nd3 O1 Nd5 66.1(3) 2_667 2_667
Se7 Nd3 O1 Nd5 -115.9(3) . 2_667
O3 Nd1 O1 Nd2 -179.2(3) . .
O3 Nd1 O1 Nd2 115.4(4) 2_667 .
O2 Nd1 O1 Nd2 -116.7(4) . .
Se6 Nd1 O1 Nd2 36.7(3) . .
Se2 Nd1 O1 Nd2 -75.9(4) . .
Se4 Nd1 O1 Nd2 -40.1(3) . .
Se5 Nd1 O1 Nd2 81.0(4) . .
Se5 Nd1 O1 Nd2 179.5(4) 2_667 .
O3 Nd1 O1 Nd3 -55.5(4) . .
O3 Nd1 O1 Nd3 -120.9(4) 2_667 .
O2 Nd1 O1 Nd3 7.0(3) . .
Se6 Nd1 O1 Nd3 160.3(3) . .
Se2 Nd1 O1 Nd3 47.8(5) . .
Se4 Nd1 O1 Nd3 83.6(3) . .
Se5 Nd1 O1 Nd3 -155.31(14) . .
Se5 Nd1 O1 Nd3 -56.8(3) 2_667 .
O3 Nd1 O1 Nd5 59.8(4) . 2_667
O3 Nd1 O1 Nd5 -5.6(3) 2_667 2_667
O2 Nd1 O1 Nd5 122.3(4) . 2_667
Se6 Nd1 O1 Nd5 -84.3(3) . 2_667
Se2 Nd1 O1 Nd5 163.14(10) . 2_667
Se4 Nd1 O1 Nd5 -161.1(3) . 2_667
Se5 Nd1 O1 Nd5 -39.9(5) . 2_667
Se5 Nd1 O1 Nd5 58.6(2) 2_667 2_667
N9A Nd6 O2 Nd3 101.9(8) . .
N7B Nd6 O2 Nd3 0.4(9) . .
N1 Nd6 O2 Nd3 -104.9(5) . .
N9B Nd6 O2 Nd3 123.4(13) . .
N7A Nd6 O2 Nd3 -16.4(7) . .
Se2 Nd6 O2 Nd3 154.2(4) . .
Se4 Nd6 O2 Nd3 77.7(4) . .
Se1 Nd6 O2 Nd3 -159.5(4) . .
Se7 Nd6 O2 Nd3 -64.0(3) . .
Se3 Nd6 O2 Nd3 33.2(3) . .
N9A Nd6 O2 Nd1 -17.1(9) . .
N7B Nd6 O2 Nd1 -118.5(7) . .
N1 Nd6 O2 Nd1 136.1(5) . .
N9B Nd6 O2 Nd1 4.4(15) . .
N7A Nd6 O2 Nd1 -135.3(5) . .
Se2 Nd6 O2 Nd1 35.2(3) . .
Se4 Nd6 O2 Nd1 -41.3(3) . .
Se1 Nd6 O2 Nd1 81.6(3) . .
Se7 Nd6 O2 Nd1 177.0(4) . .
Se3 Nd6 O2 Nd1 -85.8(3) . .
N9A Nd6 O2 Nd4 -128.3(7) . .
N7B Nd6 O2 Nd4 130.2(7) . .
N1 Nd6 O2 Nd4 24.8(7) . .
N9B Nd6 O2 Nd4 -106.9(14) . .
N7A Nd6 O2 Nd4 113.4(5) . .
Se2 Nd6 O2 Nd4 -76.0(3) . .
Se4 Nd6 O2 Nd4 -152.5(4) . .
Se1 Nd6 O2 Nd4 -29.7(3) . .
Se7 Nd6 O2 Nd4 65.8(3) . .
Se3 Nd6 O2 Nd4 163.0(4) . .
O1 Nd3 O2 Nd6 -115.7(5) . .
N4 Nd3 O2 Nd6 107.0(6) . .
N3 Nd3 O2 Nd6 12.2(7) . .
Se5 Nd3 O2 Nd6 164.8(4) 2_667 .
Se3 Nd3 O2 Nd6 -35.7(3) . .
Se10 Nd3 O2 Nd6 -109.8(4) 2_667 .
Se7 Nd3 O2 Nd6 66.7(3) . .
O1 Nd3 O2 Nd1 6.8(3) . .
N4 Nd3 O2 Nd1 -130.4(5) . .
N3 Nd3 O2 Nd1 134.8(4) . .
Se5 Nd3 O2 Nd1 -72.7(3) 2_667 .
Se3 Nd3 O2 Nd1 86.9(3) . .
Se10 Nd3 O2 Nd1 12.8(5) 2_667 .
Se7 Nd3 O2 Nd1 -170.7(4) . .
O1 Nd3 O2 Nd4 111.7(4) . .
N4 Nd3 O2 Nd4 -25.6(6) . .
N3 Nd3 O2 Nd4 -120.4(4) . .
Se5 Nd3 O2 Nd4 32.2(2) 2_667 .
Se3 Nd3 O2 Nd4 -168.3(3) . .
Se10 Nd3 O2 Nd4 117.6(3) 2_667 .
Se7 Nd3 O2 Nd4 -65.9(3) . .
O3 Nd1 O2 Nd6 -113.4(4) . .
O1 Nd1 O2 Nd6 120.2(4) . .
O3 Nd1 O2 Nd6 -180.0(3) 2_667 .
Se6 Nd1 O2 Nd6 74.6(5) . .
Se2 Nd1 O2 Nd6 -34.2(3) . .
Se4 Nd1 O2 Nd6 40.0(3) . .
Se5 Nd1 O2 Nd6 -77.7(5) . .
Se5 Nd1 O2 Nd6 -178.0(4) 2_667 .
O3 Nd1 O2 Nd3 119.6(4) . .
O1 Nd1 O2 Nd3 -6.8(3) . .
O3 Nd1 O2 Nd3 52.9(4) 2_667 .
Se6 Nd1 O2 Nd3 -52.5(5) . .
Se2 Nd1 O2 Nd3 -161.3(3) . .
Se4 Nd1 O2 Nd3 -87.0(3) . .
Se5 Nd1 O2 Nd3 155.27(13) . .
Se5 Nd1 O2 Nd3 55.0(2) 2_667 .
O3 Nd1 O2 Nd4 7.6(3) . .
O1 Nd1 O2 Nd4 -118.8(4) . .
O3 Nd1 O2 Nd4 -59.0(4) 2_667 .
Se6 Nd1 O2 Nd4 -164.38(10) . .
Se2 Nd1 O2 Nd4 86.8(2) . .
Se4 Nd1 O2 Nd4 161.0(3) . .
Se5 Nd1 O2 Nd4 43.3(5) . .
Se5 Nd1 O2 Nd4 -56.9(2) 2_667 .
O3 Nd4 O2 Nd6 110.0(4) . .
N5 Nd4 O2 Nd6 -34.6(6) . .
Se5 Nd4 O2 Nd6 -166.0(4) 2_667 .
Se6 Nd4 O2 Nd6 153.33(16) 2_667 .
Se1 Nd4 O2 Nd6 30.8(3) . .
Se7 Nd4 O2 Nd6 -68.4(3) . .
Se8 Nd4 O2 Nd6 64.9(5) . .
O3 Nd4 O2 Nd3 -115.9(4) . .
N5 Nd4 O2 Nd3 99.4(4) . .
Se5 Nd4 O2 Nd3 -31.9(2) 2_667 .
Se6 Nd4 O2 Nd3 -72.6(5) 2_667 .
Se1 Nd4 O2 Nd3 164.9(3) . .
Se7 Nd4 O2 Nd3 65.7(3) . .
Se8 Nd4 O2 Nd3 -161.01(12) . .
O3 Nd4 O2 Nd1 -7.9(3) . .
N5 Nd4 O2 Nd1 -152.6(3) . .
Se5 Nd4 O2 Nd1 76.0(2) 2_667 .
Se6 Nd4 O2 Nd1 35.4(5) 2_667 .
Se1 Nd4 O2 Nd1 -87.2(2) . .
Se7 Nd4 O2 Nd1 173.7(4) . .
Se8 Nd4 O2 Nd1 -53.0(4) . .
O2 Nd4 O3 Nd5 -118.1(4) . .
N5 Nd4 O3 Nd5 15.5(8) . .
Se5 Nd4 O3 Nd5 163.3(4) 2_667 .
Se6 Nd4 O3 Nd5 84.5(4) 2_667 .
Se1 Nd4 O3 Nd5 -38.3(3) . .
Se7 Nd4 O3 Nd5 -116.3(3) . .
Se8 Nd4 O3 Nd5 33.0(3) . .
O2 Nd4 O3 Nd1 8.5(3) . .
N5 Nd4 O3 Nd1 142.2(5) . .
Se5 Nd4 O3 Nd1 -70.1(3) 2_667 .
Se6 Nd4 O3 Nd1 -148.8(3) 2_667 .
Se1 Nd4 O3 Nd1 88.3(3) . .
Se7 Nd4 O3 Nd1 10.4(5) . .
Se8 Nd4 O3 Nd1 159.7(4) . .
O2 Nd4 O3 Nd1 119.4(4) . 2_667
N5 Nd4 O3 Nd1 -107.0(6) . 2_667
Se5 Nd4 O3 Nd1 40.8(3) 2_667 2_667
Se6 Nd4 O3 Nd1 -38.0(3) 2_667 2_667
Se1 Nd4 O3 Nd1 -160.8(4) . 2_667
Se7 Nd4 O3 Nd1 121.2(3) . 2_667
Se8 Nd4 O3 Nd1 -89.5(3) . 2_667
O1 Nd5 O3 Nd4 -117.6(5) 2_667 .
N6 Nd5 O3 Nd4 108.0(7) . .
Se5 Nd5 O3 Nd4 165.1(4) . .
Se8 Nd5 O3 Nd4 -39.2(4) . .
Se1 Nd5 O3 Nd4 37.9(3) . .
Se10 Nd5 O3 Nd4 -112.6(3) . .
Se2 Nd5 O3 Nd4 84.0(3) . .
Se9 Nd5 O3 Nd4 -24.2(5) . .
O1 Nd5 O3 Nd1 118.3(4) 2_667 .
N6 Nd5 O3 Nd1 -16.2(8) . .
Se5 Nd5 O3 Nd1 40.9(3) . .
Se8 Nd5 O3 Nd1 -163.4(3) . .
Se1 Nd5 O3 Nd1 -86.3(3) . .
Se10 Nd5 O3 Nd1 123.3(3) . .
Se2 Nd5 O3 Nd1 -40.1(3) . .
Se9 Nd5 O3 Nd1 -148.4(2) . .
O1 Nd5 O3 Nd1 5.9(3) 2_667 2_667
N6 Nd5 O3 Nd1 -128.5(6) . 2_667
Se5 Nd5 O3 Nd1 -71.4(3) . 2_667
Se8 Nd5 O3 Nd1 84.3(3) . 2_667
Se1 Nd5 O3 Nd1 161.4(4) . 2_667
Se10 Nd5 O3 Nd1 10.9(5) . 2_667
Se2 Nd5 O3 Nd1 -152.5(4) . 2_667
Se9 Nd5 O3 Nd1 99.3(3) . 2_667
O1 Nd1 O3 Nd4 53.2(5) . .
O3 Nd1 O3 Nd4 116.2(5) 2_667 .
O2 Nd1 O3 Nd4 -8.6(3) . .
Se6 Nd1 O3 Nd4 163.32(10) . .
Se2 Nd1 O3 Nd4 -87.0(3) . .
Se4 Nd1 O3 Nd4 -49.8(5) . .
Se5 Nd1 O3 Nd4 -166.6(4) . .
Se5 Nd1 O3 Nd4 54.4(3) 2_667 .
O1 Nd1 O3 Nd5 -179.0(3) . .
O3 Nd1 O3 Nd5 -116.1(5) 2_667 .
O2 Nd1 O3 Nd5 119.1(4) . .
Se6 Nd1 O3 Nd5 -68.9(5) . .
Se2 Nd1 O3 Nd5 40.7(3) . .
Se4 Nd1 O3 Nd5 78.0(4) . .
Se5 Nd1 O3 Nd5 -38.8(3) . .
Se5 Nd1 O3 Nd5 -177.8(4) 2_667 .
O1 Nd1 O3 Nd1 -63.0(4) . 2_667
O3 Nd1 O3 Nd1 0.0 2_667 2_667
O2 Nd1 O3 Nd1 -124.8(4) . 2_667
Se6 Nd1 O3 Nd1 47.2(5) . 2_667
Se2 Nd1 O3 Nd1 156.8(3) . 2_667
Se4 Nd1 O3 Nd1 -165.95(9) . 2_667
Se5 Nd1 O3 Nd1 77.2(2) . 2_667
Se5 Nd1 O3 Nd1 -61.8(2) 2_667 2_667
O3 Nd4 Se1 Se2 -39.1(2) . .
O2 Nd4 Se1 Se2 39.8(2) . .
N5 Nd4 Se1 Se2 172.4(3) . .
Se5 Nd4 Se1 Se2 6.33(12) 2_667 .
Se6 Nd4 Se1 Se2 -108.40(7) 2_667 .
Se7 Nd4 Se1 Se2 96.06(6) . .
Se8 Nd4 Se1 Se2 -116.95(6) . .
O3 Nd4 Se1 Nd5 25.2(2) . .
O2 Nd4 Se1 Nd5 104.1(2) . .
N5 Nd4 Se1 Nd5 -123.3(3) . .
Se5 Nd4 Se1 Nd5 70.61(9) 2_667 .
Se6 Nd4 Se1 Nd5 -44.13(5) 2_667 .
Se7 Nd4 Se1 Nd5 160.33(4) . .
Se8 Nd4 Se1 Nd5 -52.68(4) . .
O3 Nd4 Se1 Nd6 -98.6(2) . .
O2 Nd4 Se1 Nd6 -19.7(2) . .
N5 Nd4 Se1 Nd6 112.9(3) . .
Se5 Nd4 Se1 Nd6 -53.20(9) 2_667 .
Se6 Nd4 Se1 Nd6 -167.94(4) 2_667 .
Se7 Nd4 Se1 Nd6 36.52(4) . .
Se8 Nd4 Se1 Nd6 -176.48(5) . .
O3 Nd5 Se1 Se2 85.0(2) . .
O1 Nd5 Se1 Se2 123.8(3) 2_667 .
N6 Nd5 Se1 Se2 -62.0(3) . .
Se5 Nd5 Se1 Se2 18.65(7) . .
Se8 Nd5 Se1 Se2 176.42(6) . .
Se10 Nd5 Se1 Se2 -133.57(8) . .
Se9 Nd5 Se1 Se2 -138.09(6) . .
O3 Nd5 Se1 Nd4 -24.9(2) . .
O1 Nd5 Se1 Nd4 14.0(3) 2_667 .
N6 Nd5 Se1 Nd4 -171.9(3) . .
Se5 Nd5 Se1 Nd4 -91.20(5) . .
Se8 Nd5 Se1 Nd4 66.58(4) . .
Se10 Nd5 Se1 Nd4 116.59(7) . .
Se2 Nd5 Se1 Nd4 -109.84(6) . .
Se9 Nd5 Se1 Nd4 112.06(5) . .
O3 Nd5 Se1 Nd6 44.0(2) . .
O1 Nd5 Se1 Nd6 82.8(3) 2_667 .
N6 Nd5 Se1 Nd6 -103.0(3) . .
Se5 Nd5 Se1 Nd6 -22.36(8) . .
Se8 Nd5 Se1 Nd6 135.41(6) . .
Se10 Nd5 Se1 Nd6 -174.57(6) . .
Se2 Nd5 Se1 Nd6 -41.01(5) . .
Se9 Nd5 Se1 Nd6 -179.10(6) . .
O2 Nd6 Se1 Se2 -88.9(2) . .
N9A Nd6 Se1 Se2 55.3(4) . .
N7B Nd6 Se1 Se2 123.0(10) . .
N1 Nd6 Se1 Se2 133.7(4) . .
N9B Nd6 Se1 Se2 66.5(5) . .
N7A Nd6 Se1 Se2 137.6(5) . .
Se4 Nd6 Se1 Se2 -18.88(6) . .
Se7 Nd6 Se1 Se2 -146.21(5) . .
Se3 Nd6 Se1 Se2 -64.81(10) . .
O2 Nd6 Se1 Nd4 21.4(2) . .
N9A Nd6 Se1 Nd4 165.7(4) . .
N7B Nd6 Se1 Nd4 -126.6(10) . .
N1 Nd6 Se1 Nd4 -115.9(4) . .
N9B Nd6 Se1 Nd4 176.8(5) . .
N7A Nd6 Se1 Nd4 -112.1(5) . .
Se2 Nd6 Se1 Nd4 110.36(6) . .
Se4 Nd6 Se1 Nd4 91.48(5) . .
Se7 Nd6 Se1 Nd4 -35.86(4) . .
Se3 Nd6 Se1 Nd4 45.55(10) . .
O2 Nd6 Se1 Nd5 -45.8(2) . .
N9A Nd6 Se1 Nd5 98.4(4) . .
N7B Nd6 Se1 Nd5 166.1(10) . .
N1 Nd6 Se1 Nd5 176.8(4) . .
N9B Nd6 Se1 Nd5 109.6(5) . .
N7A Nd6 Se1 Nd5 -179.3(5) . .
Se2 Nd6 Se1 Nd5 43.12(5) . .
Se4 Nd6 Se1 Nd5 24.24(8) . .
Se7 Nd6 Se1 Nd5 -103.09(6) . .
Se3 Nd6 Se1 Nd5 -21.69(13) . .
Nd4 Se1 Se2 Nd6 -70.73(4) . .
Nd5 Se1 Se2 Nd6 -140.19(4) . .
Nd4 Se1 Se2 Nd1 1.53(6) . .
Nd5 Se1 Se2 Nd1 -67.93(4) . .
Nd6 Se1 Se2 Nd1 72.26(4) . .
Nd4 Se1 Se2 Nd5 69.47(4) . .
Nd6 Se1 Se2 Nd5 140.19(4) . .
O2 Nd6 Se2 Se1 82.0(2) . .
N9A Nd6 Se2 Se1 -125.6(4) . .
N7B Nd6 Se2 Se1 -133.8(9) . .
N1 Nd6 Se2 Se1 -45.0(3) . .
N9B Nd6 Se2 Se1 -110.9(6) . .
N7A Nd6 Se2 Se1 -113.6(7) . .
Se4 Nd6 Se2 Se1 162.92(6) . .
Se7 Nd6 Se2 Se1 42.51(7) . .
Se3 Nd6 Se2 Se1 148.66(6) . .
O2 Nd6 Se2 Nd1 -25.3(2) . .
N9A Nd6 Se2 Nd1 127.2(4) . .
N7B Nd6 Se2 Nd1 118.9(9) . .
N1 Nd6 Se2 Nd1 -152.3(3) . .
N9B Nd6 Se2 Nd1 141.8(6) . .
N7A Nd6 Se2 Nd1 139.2(7) . .
Se4 Nd6 Se2 Nd1 55.65(4) . .
Se1 Nd6 Se2 Nd1 -107.27(6) . .
Se7 Nd6 Se2 Nd1 -64.76(6) . .
Se3 Nd6 Se2 Nd1 41.39(5) . .
O2 Nd6 Se2 Nd5 38.1(2) . .
N9A Nd6 Se2 Nd5 -169.4(4) . .
N7B Nd6 Se2 Nd5 -177.7(9) . .
N1 Nd6 Se2 Nd5 -88.8(3) . .
N9B Nd6 Se2 Nd5 -154.7(6) . .
N7A Nd6 Se2 Nd5 -157.4(7) . .
Se4 Nd6 Se2 Nd5 119.06(6) . .
Se1 Nd6 Se2 Nd5 -43.86(6) . .
Se7 Nd6 Se2 Nd5 -1.34(8) . .
Se3 Nd6 Se2 Nd5 104.81(6) . .
O3 Nd1 Se2 Se1 34.8(2) . .
O1 Nd1 Se2 Se1 -83.6(4) . .
O3 Nd1 Se2 Se1 77.3(4) 2_667 .
O2 Nd1 Se2 Se1 -43.1(2) . .
Se6 Nd1 Se2 Se1 176.07(6) . .
Se4 Nd1 Se2 Se1 -120.48(6) . .
Se5 Nd1 Se2 Se1 110.99(6) . .
Se5 Nd1 Se2 Se1 -5.66(7) 2_667 .
O3 Nd1 Se2 Nd6 101.9(2) . .
O1 Nd1 Se2 Nd6 -16.5(4) . .
O3 Nd1 Se2 Nd6 144.3(4) 2_667 .
O2 Nd1 Se2 Nd6 23.9(2) . .
Se6 Nd1 Se2 Nd6 -116.91(4) . .
Se4 Nd1 Se2 Nd6 -53.45(4) . .
Se5 Nd1 Se2 Nd6 178.02(5) . .
Se5 Nd1 Se2 Nd6 61.37(5) 2_667 .
O3 Nd1 Se2 Nd5 -26.6(2) . .
O1 Nd1 Se2 Nd5 -145.0(4) . .
O3 Nd1 Se2 Nd5 15.9(4) 2_667 .
O2 Nd1 Se2 Nd5 -104.6(2) . .
Se6 Nd1 Se2 Nd5 114.64(4) . .
Se4 Nd1 Se2 Nd5 178.10(5) . .
Se5 Nd1 Se2 Nd5 49.56(4) . .
Se5 Nd1 Se2 Nd5 -67.09(4) 2_667 .
O3 Nd5 Se2 Se1 -82.8(2) . .
O1 Nd5 Se2 Se1 -118.8(4) 2_667 .
N6 Nd5 Se2 Se1 111.5(3) . .
Se5 Nd5 Se2 Se1 -163.86(6) . .
Se8 Nd5 Se2 Se1 -4.09(7) . .
Se10 Nd5 Se2 Se1 122.13(9) . .
Se9 Nd5 Se2 Se1 45.52(6) . .
O3 Nd5 Se2 Nd6 -37.3(2) . .
O1 Nd5 Se2 Nd6 -73.2(4) 2_667 .
N6 Nd5 Se2 Nd6 157.1(3) . .
Se5 Nd5 Se2 Nd6 -118.30(6) . .
Se8 Nd5 Se2 Nd6 41.47(8) . .
Se1 Nd5 Se2 Nd6 45.56(6) . .
Se10 Nd5 Se2 Nd6 167.69(7) . .
Se9 Nd5 Se2 Nd6 91.08(6) . .
O3 Nd5 Se2 Nd1 27.3(2) . .
O1 Nd5 Se2 Nd1 -8.6(4) 2_667 .
N6 Nd5 Se2 Nd1 -138.3(3) . .
Se5 Nd5 Se2 Nd1 -53.68(4) . .
Se8 Nd5 Se2 Nd1 106.08(5) . .
Se1 Nd5 Se2 Nd1 110.18(6) . .
Se10 Nd5 Se2 Nd1 -127.69(8) . .
Se9 Nd5 Se2 Nd1 155.70(4) . .
O1 Nd3 Se3 Se4 41.6(2) . .
O2 Nd3 Se3 Se4 -35.9(2) . .
N4 Nd3 Se3 Se4 178.6(4) . .
N3 Nd3 Se3 Se4 -175.5(3) . .
Se5 Nd3 Se3 Se4 6.37(13) 2_667 .
Se10 Nd3 Se3 Se4 100.62(7) 2_667 .
Se7 Nd3 Se3 Se4 -92.91(7) . .
O1 Nd3 Se3 Nd2 -19.2(2) . .
O2 Nd3 Se3 Nd2 -96.7(2) . .
N4 Nd3 Se3 Nd2 117.8(4) . .
N3 Nd3 Se3 Nd2 123.6(3) . .
Se5 Nd3 Se3 Nd2 -54.44(10) 2_667 .
Se10 Nd3 Se3 Nd2 39.81(4) 2_667 .
Se7 Nd3 Se3 Nd2 -153.72(4) . .
O1 Nd3 Se3 Nd6 98.8(2) . .
O2 Nd3 Se3 Nd6 21.3(2) . .
N4 Nd3 Se3 Nd6 -124.2(4) . .
N3 Nd3 Se3 Nd6 -118.4(3) . .
Se5 Nd3 Se3 Nd6 63.56(10) 2_667 .
Se10 Nd3 Se3 Nd6 157.81(4) 2_667 .
Se7 Nd3 Se3 Nd6 -35.72(4) . .
O1 Nd2 Se3 Se4 -91.4(2) . .
N8B Nd2 Se3 Se4 63.9(6) . .
N2 Nd2 Se3 Se4 135.4(3) . .
N8A Nd2 Se3 Se4 67.8(5) . .
Se8 Nd2 Se3 Se4 -103.71(14) 2_667 .
Se6 Nd2 Se3 Se4 -19.24(7) . .
Se10 Nd2 Se3 Se4 -150.65(6) 2_667 .
O1 Nd2 Se3 Nd3 20.0(2) . .
N8B Nd2 Se3 Nd3 175.3(6) . .
N2 Nd2 Se3 Nd3 -113.1(3) . .
N8A Nd2 Se3 Nd3 179.3(5) . .
Se8 Nd2 Se3 Nd3 7.74(15) 2_667 .
Se6 Nd2 Se3 Nd3 92.20(6) . .
Se4 Nd2 Se3 Nd3 111.44(6) . .
Se10 Nd2 Se3 Nd3 -39.20(4) 2_667 .
O1 Nd2 Se3 Nd6 -50.4(2) . .
N8B Nd2 Se3 Nd6 105.0(6) . .
N2 Nd2 Se3 Nd6 176.5(3) . .
N8A Nd2 Se3 Nd6 108.9(5) . .
Se8 Nd2 Se3 Nd6 -62.62(15) 2_667 .
Se6 Nd2 Se3 Nd6 21.85(8) . .
Se4 Nd2 Se3 Nd6 41.09(5) . .
Se10 Nd2 Se3 Nd6 -109.56(6) 2_667 .
O2 Nd6 Se3 Se4 90.9(2) . .
N9A Nd6 Se3 Se4 -56.9(4) . .
N7B Nd6 Se3 Se4 -118.2(6) . .
N1 Nd6 Se3 Se4 -140.0(5) . .
N9B Nd6 Se3 Se4 -63.0(5) . .
N7A Nd6 Se3 Se4 -129.1(3) . .
Se2 Nd6 Se3 Se4 20.24(7) . .
Se1 Nd6 Se3 Se4 66.36(11) . .
Se7 Nd6 Se3 Se4 147.97(6) . .
O2 Nd6 Se3 Nd3 -22.8(2) . .
N9A Nd6 Se3 Nd3 -170.6(4) . .
N7B Nd6 Se3 Nd3 128.1(6) . .
N1 Nd6 Se3 Nd3 106.3(5) . .
N9B Nd6 Se3 Nd3 -176.7(5) . .
N7A Nd6 Se3 Nd3 117.2(3) . .
Se2 Nd6 Se3 Nd3 -93.47(5) . .
Se4 Nd6 Se3 Nd3 -113.71(6) . .
Se1 Nd6 Se3 Nd3 -47.34(10) . .
Se7 Nd6 Se3 Nd3 34.26(4) . .
O2 Nd6 Se3 Nd2 48.7(2) . .
N9A Nd6 Se3 Nd2 -99.1(4) . .
N7B Nd6 Se3 Nd2 -160.4(6) . .
N1 Nd6 Se3 Nd2 177.8(5) . .
N9B Nd6 Se3 Nd2 -105.2(5) . .
N7A Nd6 Se3 Nd2 -171.3(3) . .
Se2 Nd6 Se3 Nd2 -21.95(7) . .
Se4 Nd6 Se3 Nd2 -42.19(5) . .
Se1 Nd6 Se3 Nd2 24.18(12) . .
Se7 Nd6 Se3 Nd2 105.79(6) . .
Nd3 Se3 Se4 Nd2 -70.50(5) . .
Nd6 Se3 Se4 Nd2 -137.54(5) . .
Nd3 Se3 Se4 Nd6 67.04(5) . .
Nd2 Se3 Se4 Nd6 137.54(5) . .
Nd3 Se3 Se4 Nd1 -4.25(7) . .
Nd2 Se3 Se4 Nd1 66.26(4) . .
Nd6 Se3 Se4 Nd1 -71.29(4) . .
O1 Nd2 Se4 Se3 80.0(2) . .
N8B Nd2 Se4 Se3 -117.6(6) . .
N2 Nd2 Se4 Se3 -52.4(4) . .
N8A Nd2 Se4 Se3 -115.9(5) . .
Se8 Nd2 Se4 Se3 150.36(8) 2_667 .
Se6 Nd2 Se4 Se3 163.51(6) . .
Se10 Nd2 Se4 Se3 36.42(7) 2_667 .
O1 Nd2 Se4 Nd6 28.5(2) . .
N8B Nd2 Se4 Nd6 -169.1(6) . .
N2 Nd2 Se4 Nd6 -103.9(3) . .
N8A Nd2 Se4 Nd6 -167.4(5) . .
Se8 Nd2 Se4 Nd6 98.86(8) 2_667 .
Se6 Nd2 Se4 Nd6 112.01(6) . .
Se3 Nd2 Se4 Nd6 -51.51(6) . .
Se10 Nd2 Se4 Nd6 -15.09(9) 2_667 .
O1 Nd2 Se4 Nd1 -30.0(2) . .
N8B Nd2 Se4 Nd1 132.3(6) . .
N2 Nd2 Se4 Nd1 -162.5(3) . .
N8A Nd2 Se4 Nd1 134.1(5) . .
Se8 Nd2 Se4 Nd1 40.28(8) 2_667 .
Se6 Nd2 Se4 Nd1 53.43(4) . .
Se3 Nd2 Se4 Nd1 -110.08(6) . .
Se10 Nd2 Se4 Nd1 -73.66(5) 2_667 .
O2 Nd6 Se4 Se3 -78.0(2) . .
N9A Nd6 Se4 Se3 116.5(4) . .
N7B Nd6 Se4 Se3 51.1(5) . .
N1 Nd6 Se4 Se3 106.5(7) . .
N9B Nd6 Se4 Se3 119.8(5) . .
N7A Nd6 Se4 Se3 48.1(3) . .
Se2 Nd6 Se4 Se3 -161.29(6) . .
Se1 Nd6 Se4 Se3 -147.46(6) . .
Se7 Nd6 Se4 Se3 -39.30(7) . .
O2 Nd6 Se4 Nd2 -28.4(2) . .
N9A Nd6 Se4 Nd2 166.1(4) . .
N7B Nd6 Se4 Nd2 100.7(5) . .
N1 Nd6 Se4 Nd2 156.1(7) . .
N9B Nd6 Se4 Nd2 169.4(5) . .
N7A Nd6 Se4 Nd2 97.7(3) . .
Se2 Nd6 Se4 Nd2 -111.68(6) . .
Se1 Nd6 Se4 Nd2 -97.86(7) . .
Se7 Nd6 Se4 Nd2 10.31(8) . .
Se3 Nd6 Se4 Nd2 49.61(6) . .
O2 Nd6 Se4 Nd1 28.8(2) . .
N9A Nd6 Se4 Nd1 -136.7(4) . .
N7B Nd6 Se4 Nd1 157.9(5) . .
N1 Nd6 Se4 Nd1 -146.7(7) . .
N9B Nd6 Se4 Nd1 -133.4(5) . .
N7A Nd6 Se4 Nd1 154.9(3) . .
Se2 Nd6 Se4 Nd1 -54.49(4) . .
Se1 Nd6 Se4 Nd1 -40.66(5) . .
Se7 Nd6 Se4 Nd1 67.50(5) . .
Se3 Nd6 Se4 Nd1 106.80(6) . .
O3 Nd1 Se4 Se3 83.9(3) . .
O1 Nd1 Se4 Se3 -34.4(2) . .
O3 Nd1 Se4 Se3 -73.8(4) 2_667 .
O2 Nd1 Se4 Se3 42.4(2) . .
Se6 Nd1 Se4 Se3 -116.34(7) . .
Se2 Nd1 Se4 Se3 122.32(7) . .
Se5 Nd1 Se4 Se3 -176.56(6) . .
Se5 Nd1 Se4 Se3 4.40(8) 2_667 .
O3 Nd1 Se4 Nd2 147.5(3) . .
O1 Nd1 Se4 Nd2 29.1(2) . .
O3 Nd1 Se4 Nd2 -10.3(3) 2_667 .
O2 Nd1 Se4 Nd2 106.0(2) . .
Se6 Nd1 Se4 Nd2 -52.80(4) . .
Se2 Nd1 Se4 Nd2 -174.13(5) . .
Se5 Nd1 Se4 Nd2 -113.02(5) . .
Se5 Nd1 Se4 Nd2 67.95(5) 2_667 .
O3 Nd1 Se4 Nd6 14.3(3) . .
O1 Nd1 Se4 Nd6 -104.1(2) . .
O3 Nd1 Se4 Nd6 -143.5(3) 2_667 .
O2 Nd1 Se4 Nd6 -27.3(2) . .
Se6 Nd1 Se4 Nd6 173.97(4) . .
Se2 Nd1 Se4 Nd6 52.64(4) . .
Se5 Nd1 Se4 Nd6 113.76(5) . .
Se5 Nd1 Se4 Nd6 -65.28(5) 2_667 .
Se12 Hg1 Se5 Nd3 -0.18(11) . 2_667
Se11 Hg1 Se5 Nd3 162.55(9) . 2_667
Se6 Hg1 Se5 Nd3 -108.36(9) . 2_667
Se12 Hg1 Se5 Nd4 72.02(6) . 2_667
Se11 Hg1 Se5 Nd4 -125.25(5) . 2_667
Se6 Hg1 Se5 Nd4 -36.16(4) . 2_667
Se12 Hg1 Se5 Nd5 -148.09(7) . .
Se11 Hg1 Se5 Nd5 14.64(9) . .
Se6 Hg1 Se5 Nd5 103.73(7) . .
Se12 Hg1 Se5 Nd1 146.36(5) . .
Se11 Hg1 Se5 Nd1 -50.91(6) . .
Se6 Hg1 Se5 Nd1 38.18(4) . .
O3 Nd5 Se5 Hg1 -96.4(2) . .
O1 Nd5 Se5 Hg1 -172.4(2) 2_667 .
N6 Nd5 Se5 Hg1 54.2(3) . .
Se8 Nd5 Se5 Hg1 -159.11(8) . .
Se1 Nd5 Se5 Hg1 -31.89(9) . .
Se10 Nd5 Se5 Hg1 131.97(7) . .
Se2 Nd5 Se5 Hg1 -18.66(7) . .
Se9 Nd5 Se5 Hg1 97.72(11) . .
O3 Nd5 Se5 Nd3 102.7(2) . 2_667
O1 Nd5 Se5 Nd3 26.6(2) 2_667 2_667
N6 Nd5 Se5 Nd3 -106.8(3) . 2_667
Se8 Nd5 Se5 Nd3 39.94(11) . 2_667
Se1 Nd5 Se5 Nd3 167.16(5) . 2_667
Se10 Nd5 Se5 Nd3 -28.97(4) . 2_667
Se2 Nd5 Se5 Nd3 -179.61(4) . 2_667
Se9 Nd5 Se5 Nd3 -63.22(10) . 2_667
O3 Nd5 Se5 Nd4 30.7(2) . 2_667
O1 Nd5 Se5 Nd4 -45.3(2) 2_667 2_667
N6 Nd5 Se5 Nd4 -178.7(3) . 2_667
Se8 Nd5 Se5 Nd4 -31.99(13) . 2_667
Se1 Nd5 Se5 Nd4 95.23(7) . 2_667
Se10 Nd5 Se5 Nd4 -100.91(6) . 2_667
Se2 Nd5 Se5 Nd4 108.46(6) . 2_667
Se9 Nd5 Se5 Nd4 -135.16(8) . 2_667
O3 Nd5 Se5 Nd1 -26.7(2) . .
O1 Nd5 Se5 Nd1 -102.8(2) 2_667 .
N6 Nd5 Se5 Nd1 123.8(3) . .
Se8 Nd5 Se5 Nd1 -89.46(10) . .
Se1 Nd5 Se5 Nd1 37.76(5) . .
Se10 Nd5 Se5 Nd1 -158.38(4) . .
Se2 Nd5 Se5 Nd1 50.99(3) . .
Se9 Nd5 Se5 Nd1 167.37(9) . .
O3 Nd1 Se5 Hg1 163.1(2) . .
O1 Nd1 Se5 Hg1 -81.3(4) . .
O3 Nd1 Se5 Hg1 -115.4(2) 2_667 .
O2 Nd1 Se5 Hg1 127.0(3) . .
Se6 Nd1 Se5 Hg1 -35.60(4) . .
Se2 Nd1 Se5 Hg1 83.79(4) . .
Se4 Nd1 Se5 Hg1 25.25(6) . .
Se5 Nd1 Se5 Hg1 -155.71(4) 2_667 .
O3 Nd1 Se5 Nd3 -40.8(2) . 2_667
O1 Nd1 Se5 Nd3 74.8(4) . 2_667
O3 Nd1 Se5 Nd3 40.7(2) 2_667 2_667
O2 Nd1 Se5 Nd3 -76.9(3) . 2_667
Se6 Nd1 Se5 Nd3 120.50(6) . 2_667
Se2 Nd1 Se5 Nd3 -120.10(6) . 2_667
Se4 Nd1 Se5 Nd3 -178.65(5) . 2_667
Se5 Nd1 Se5 Nd3 0.39(5) 2_667 2_667
O3 Nd1 Se5 Nd4 -108.3(2) . 2_667
O1 Nd1 Se5 Nd4 7.3(4) . 2_667
O3 Nd1 Se5 Nd4 -26.8(2) 2_667 2_667
O2 Nd1 Se5 Nd4 -144.4(3) . 2_667
Se6 Nd1 Se5 Nd4 53.01(4) . 2_667
Se2 Nd1 Se5 Nd4 172.40(5) . 2_667
Se4 Nd1 Se5 Nd4 113.85(5) . 2_667
Se5 Nd1 Se5 Nd4 -67.10(3) 2_667 2_667
O3 Nd1 Se5 Nd5 26.7(2) . .
O1 Nd1 Se5 Nd5 142.3(4) . .
O3 Nd1 Se5 Nd5 108.2(2) 2_667 .
O2 Nd1 Se5 Nd5 -9.4(3) . .
Se6 Nd1 Se5 Nd5 -172.01(4) . .
Se2 Nd1 Se5 Nd5 -52.62(4) . .
Se4 Nd1 Se5 Nd5 -111.17(5) . .
Se5 Nd1 Se5 Nd5 67.88(3) 2_667 .
Se12 Hg1 Se6 Nd2 152.92(9) . .
Se11 Hg1 Se6 Nd2 0.89(11) . .
Se5 Hg1 Se6 Nd2 -104.99(10) . .
Se12 Hg1 Se6 Nd4 -66.21(6) . 2_667
Se11 Hg1 Se6 Nd4 141.76(6) . 2_667
Se5 Hg1 Se6 Nd4 35.87(4) . 2_667
Se12 Hg1 Se6 Nd1 -142.70(6) . .
Se11 Hg1 Se6 Nd1 65.27(6) . .
Se5 Hg1 Se6 Nd1 -40.61(4) . .
O1 Nd2 Se6 Hg1 96.9(2) . .
N8B Nd2 Se6 Hg1 -70.2(6) . .
N2 Nd2 Se6 Hg1 -108.3(5) . .
N8A Nd2 Se6 Hg1 -73.7(5) . .
Se8 Nd2 Se6 Hg1 -177.58(11) 2_667 .
Se4 Nd2 Se6 Hg1 13.24(10) . .
Se3 Nd2 Se6 Hg1 27.12(12) . .
Se10 Nd2 Se6 Hg1 138.25(8) 2_667 .
O1 Nd2 Se6 Nd4 -35.8(2) . 2_667
N8B Nd2 Se6 Nd4 157.1(6) . 2_667
N2 Nd2 Se6 Nd4 119.0(5) . 2_667
N8A Nd2 Se6 Nd4 153.6(5) . 2_667
Se8 Nd2 Se6 Nd4 49.72(6) 2_667 2_667
Se4 Nd2 Se6 Nd4 -119.46(6) . 2_667
Se3 Nd2 Se6 Nd4 -105.58(7) . 2_667
Se10 Nd2 Se6 Nd4 5.55(9) 2_667 2_667
O1 Nd2 Se6 Nd1 27.7(2) . .
N8B Nd2 Se6 Nd1 -139.4(6) . .
N2 Nd2 Se6 Nd1 -177.5(5) . .
N8A Nd2 Se6 Nd1 -142.9(5) . .
Se8 Nd2 Se6 Nd1 113.23(5) 2_667 .
Se4 Nd2 Se6 Nd1 -55.95(4) . .
Se3 Nd2 Se6 Nd1 -42.07(6) . .
Se10 Nd2 Se6 Nd1 69.07(6) 2_667 .
O3 Nd1 Se6 Hg1 66.1(4) . .
O1 Nd1 Se6 Hg1 -171.0(2) . .
O3 Nd1 Se6 Hg1 113.7(2) 2_667 .
O2 Nd1 Se6 Hg1 -126.6(3) . .
Se2 Nd1 Se6 Hg1 -30.82(5) . .
Se4 Nd1 Se6 Hg1 -92.21(4) . .
Se5 Nd1 Se6 Hg1 35.99(4) . .
Se5 Nd1 Se6 Hg1 150.93(4) 2_667 .
O3 Nd1 Se6 Nd2 -149.5(4) . .
O1 Nd1 Se6 Nd2 -26.6(2) . .
O3 Nd1 Se6 Nd2 -101.9(2) 2_667 .
O2 Nd1 Se6 Nd2 17.8(3) . .
Se2 Nd1 Se6 Nd2 113.63(4) . .
Se4 Nd1 Se6 Nd2 52.23(4) . .
Se5 Nd1 Se6 Nd2 -179.57(4) . .
Se5 Nd1 Se6 Nd2 -64.63(5) 2_667 .
O3 Nd1 Se6 Nd4 -21.6(4) . 2_667
O1 Nd1 Se6 Nd4 101.3(2) . 2_667
O3 Nd1 Se6 Nd4 25.9(2) 2_667 2_667
O2 Nd1 Se6 Nd4 145.7(3) . 2_667
Se2 Nd1 Se6 Nd4 -118.55(4) . 2_667
Se4 Nd1 Se6 Nd4 -179.94(4) . 2_667
Se5 Nd1 Se6 Nd4 -51.74(4) . 2_667
Se5 Nd1 Se6 Nd4 63.20(5) 2_667 2_667
O1 Nd3 Se7 C1 170.8(7) . .
O2 Nd3 Se7 C1 174.0(7) . .
N4 Nd3 Se7 C1 20.3(7) . .
N3 Nd3 Se7 C1 -46.8(7) . .
Se5 Nd3 Se7 C1 97.5(7) 2_667 .
Se3 Nd3 Se7 C1 -112.7(7) . .
Se10 Nd3 Se7 C1 -16.7(7) 2_667 .
O1 Nd3 Se7 Nd4 40.6(3) . .
O2 Nd3 Se7 Nd4 43.8(2) . .
N4 Nd3 Se7 Nd4 -109.9(3) . .
N3 Nd3 Se7 Nd4 -177.0(3) . .
Se5 Nd3 Se7 Nd4 -32.67(4) 2_667 .
Se3 Nd3 Se7 Nd4 117.09(4) . .
Se10 Nd3 Se7 Nd4 -146.9(2) 2_667 .
O1 Nd3 Se7 Nd6 -39.4(3) . .
O2 Nd3 Se7 Nd6 -36.2(2) . .
N4 Nd3 Se7 Nd6 170.1(3) . .
N3 Nd3 Se7 Nd6 103.0(3) . .
Se5 Nd3 Se7 Nd6 -112.65(4) 2_667 .
Se3 Nd3 Se7 Nd6 37.11(4) . .
Se10 Nd3 Se7 Nd6 133.1(2) 2_667 .
O3 Nd4 Se7 C1 -179.8(6) . .
O2 Nd4 Se7 C1 -177.6(6) . .
N5 Nd4 Se7 C1 29.4(6) . .
Se5 Nd4 Se7 C1 -102.7(5) 2_667 .
Se6 Nd4 Se7 C1 -34.9(6) 2_667 .
Se1 Nd4 Se7 C1 108.0(5) . .
Se8 Nd4 Se7 C1 52.8(6) . .
O3 Nd4 Se7 Nd3 -45.0(3) . .
O2 Nd4 Se7 Nd3 -42.8(2) . .
N5 Nd4 Se7 Nd3 164.2(3) . .
Se5 Nd4 Se7 Nd3 32.14(4) 2_667 .
Se6 Nd4 Se7 Nd3 99.91(8) 2_667 .
Se1 Nd4 Se7 Nd3 -117.16(4) . .
Se8 Nd4 Se7 Nd3 -172.36(6) . .
O3 Nd4 Se7 Nd6 35.7(3) . .
O2 Nd4 Se7 Nd6 37.8(2) . .
N5 Nd4 Se7 Nd6 -115.2(3) . .
Se5 Nd4 Se7 Nd6 112.78(4) 2_667 .
Se6 Nd4 Se7 Nd6 -179.45(7) 2_667 .
Se1 Nd4 Se7 Nd6 -36.52(4) . .
Se8 Nd4 Se7 Nd6 -91.72(7) . .
O2 Nd6 Se7 C1 -176.2(8) . .
N9A Nd6 Se7 C1 23.1(12) . .
N7B Nd6 Se7 C1 49.6(9) . .
N1 Nd6 Se7 C1 -27.8(8) . .
N9B Nd6 Se7 C1 -2.0(12) . .
N7A Nd6 Se7 C1 40.3(8) . .
Se2 Nd6 Se7 C1 -128.2(8) . .
Se4 Nd6 Se7 C1 137.2(8) . .
Se1 Nd6 Se7 C1 -99.3(8) . .
Se3 Nd6 Se7 C1 111.3(8) . .
O2 Nd6 Se7 Nd3 38.8(3) . .
N9A Nd6 Se7 Nd3 -121.9(9) . .
N7B Nd6 Se7 Nd3 -95.4(5) . .
N1 Nd6 Se7 Nd3 -172.8(3) . .
N9B Nd6 Se7 Nd3 -147.0(10) . .
N7A Nd6 Se7 Nd3 -104.7(3) . .
Se2 Nd6 Se7 Nd3 86.79(6) . .
Se4 Nd6 Se7 Nd3 -7.83(6) . .
Se1 Nd6 Se7 Nd3 115.65(4) . .
Se3 Nd6 Se7 Nd3 -33.70(4) . .
O2 Nd6 Se7 Nd4 -41.6(3) . .
N9A Nd6 Se7 Nd4 157.7(9) . .
N7B Nd6 Se7 Nd4 -175.8(5) . .
N1 Nd6 Se7 Nd4 106.8(3) . .
N9B Nd6 Se7 Nd4 132.6(10) . .
N7A Nd6 Se7 Nd4 174.9(3) . .
Se2 Nd6 Se7 Nd4 6.41(6) . .
Se4 Nd6 Se7 Nd4 -88.21(5) . .
Se1 Nd6 Se7 Nd4 35.27(4) . .
Se3 Nd6 Se7 Nd4 -114.07(4) . .
O3 Nd5 Se8 Se9 163.7(2) . .
O1 Nd5 Se8 Se9 -122.5(2) 2_667 .
N6 Nd5 Se8 Se9 5.1(3) . .
Se5 Nd5 Se8 Se9 -135.59(10) . .
Se1 Nd5 Se8 Se9 88.58(6) . .
Se10 Nd5 Se8 Se9 -63.69(6) . .
Se2 Nd5 Se8 Se9 91.52(7) . .
O3 Nd5 Se8 Se6 -26.1(2) . 2_667
O1 Nd5 Se8 Se6 47.8(2) 2_667 2_667
N6 Nd5 Se8 Se6 175.4(3) . 2_667
Se5 Nd5 Se8 Se6 34.63(12) . 2_667
Se1 Nd5 Se8 Se6 -101.20(5) . 2_667
Se10 Nd5 Se8 Se6 106.53(5) . 2_667
Se2 Nd5 Se8 Se6 -98.25(6) . 2_667
Se9 Nd5 Se8 Se6 170.22(8) . 2_667
O3 Nd5 Se8 Nd2 -86.2(2) . 2_667
O1 Nd5 Se8 Nd2 -12.3(2) 2_667 2_667
N6 Nd5 Se8 Nd2 115.3(3) . 2_667
Se5 Nd5 Se8 Nd2 -25.46(11) . 2_667
Se1 Nd5 Se8 Nd2 -161.29(5) . 2_667
Se10 Nd5 Se8 Nd2 46.45(4) . 2_667
Se2 Nd5 Se8 Nd2 -158.34(4) . 2_667
Se9 Nd5 Se8 Nd2 110.14(6) . 2_667
O3 Nd5 Se8 Nd4 22.1(2) . .
O1 Nd5 Se8 Nd4 96.0(2) 2_667 .
N6 Nd5 Se8 Nd4 -136.4(3) . .
Se5 Nd5 Se8 Nd4 82.82(10) . .
Se1 Nd5 Se8 Nd4 -53.01(3) . .
Se10 Nd5 Se8 Nd4 154.73(4) . .
Se2 Nd5 Se8 Nd4 -50.06(5) . .
Se9 Nd5 Se8 Nd4 -141.58(6) . .
O3 Nd4 Se8 Se9 -71.2(3) . .
O2 Nd4 Se8 Se9 -25.4(3) . .
N5 Nd4 Se8 Se9 97.0(3) . .
Se5 Nd4 Se8 Se9 -138.10(8) 2_667 .
Se6 Nd4 Se8 Se9 -159.65(10) 2_667 .
Se1 Nd4 Se8 Se9 10.53(8) . .
Se7 Nd4 Se8 Se9 72.28(11) . .
O3 Nd4 Se8 Se6 88.5(2) . 2_667
O2 Nd4 Se8 Se6 134.2(3) . 2_667
N5 Nd4 Se8 Se6 -103.4(3) . 2_667
Se5 Nd4 Se8 Se6 21.55(6) 2_667 2_667
Se1 Nd4 Se8 Se6 170.18(6) . 2_667
Se7 Nd4 Se8 Se6 -128.07(8) . 2_667
O3 Nd4 Se8 Nd2 51.2(2) . 2_667
O2 Nd4 Se8 Nd2 96.9(3) . 2_667
N5 Nd4 Se8 Nd2 -140.7(3) . 2_667
Se5 Nd4 Se8 Nd2 -15.75(7) 2_667 2_667
Se6 Nd4 Se8 Nd2 -37.30(5) 2_667 2_667
Se1 Nd4 Se8 Nd2 132.88(6) . 2_667
Se7 Nd4 Se8 Nd2 -165.37(6) . 2_667
O3 Nd4 Se8 Nd5 -23.5(2) . .
O2 Nd4 Se8 Nd5 22.2(3) . .
N5 Nd4 Se8 Nd5 144.6(3) . .
Se5 Nd4 Se8 Nd5 -90.45(5) 2_667 .
Se6 Nd4 Se8 Nd5 -112.01(5) 2_667 .
Se1 Nd4 Se8 Nd5 58.17(4) . .
Se7 Nd4 Se8 Nd5 119.93(7) . .
Nd3 Se7 C1 C2 -92.1(14) . .
Nd4 Se7 C1 C2 18.2(16) . .
Nd6 Se7 C1 C2 137.3(11) . .
Nd3 Se7 C1 C6 82.0(14) . .
Nd4 Se7 C1 C6 -167.7(11) . .
Nd6 Se7 C1 C6 -48.6(17) . .
C6 C1 C2 C3 4(3) . .
Se7 C1 C2 C3 178.9(14) . .
C1 C2 C3 C4 -1(3) . .
C2 C3 C4 C5 -3(3) . .
C3 C4 C5 C6 3(4) . .
C4 C5 C6 C1 1(3) . .
C2 C1 C6 C5 -4(3) . .
Se7 C1 C6 C5 -178.7(16) . .
Se6 Se8 Se9 C7 -152.8(6) 2_667 .
Nd2 Se8 Se9 C7 168.9(6) 2_667 .
Nd5 Se8 Se9 C7 -115.8(6) . .
Nd4 Se8 Se9 C7 -70.0(6) . .
Se6 Se8 Se9 Nd5 -37.1(3) 2_667 .
Nd2 Se8 Se9 Nd5 -75.31(5) 2_667 .
Nd4 Se8 Se9 Nd5 45.73(6) . .
O3 Nd5 Se9 C7 68.1(7) . .
O1 Nd5 Se9 C7 147.7(7) 2_667 .
N6 Nd5 Se9 C7 -85.8(7) . .
Se5 Nd5 Se9 C7 -130.2(7) . .
Se8 Nd5 Se9 C7 89.7(7) . .
Se1 Nd5 Se9 C7 7.9(7) . .
Se10 Nd5 Se9 C7 -169.1(7) . .
Se2 Nd5 Se9 C7 -22.7(7) . .
O3 Nd5 Se9 Se8 -21.6(3) . .
O1 Nd5 Se9 Se8 58.0(2) 2_667 .
N6 Nd5 Se9 Se8 -175.5(3) . .
Se5 Nd5 Se9 Se8 140.05(9) . .
Se1 Nd5 Se9 Se8 -81.81(6) . .
Se10 Nd5 Se9 Se8 101.19(6) . .
Se2 Nd5 Se9 Se8 -112.40(6) . .
Se8 Se9 C7 C12 14.7(19) . .
Nd5 Se9 C7 C12 -50(2) . .
Se8 Se9 C7 C8 -162.7(14) . .
Nd5 Se9 C7 C8 132.5(14) . .
C12 C7 C8 C9 5(3) . .
Se9 C7 C8 C9 -177.5(19) . .
C7 C8 C9 C10 -5(4) . .
C8 C9 C10 C11 2(5) . .
C9 C10 C11 C12 1(4) . .
C8 C7 C12 C11 -2(3) . .
Se9 C7 C12 C11 -179.4(16) . .
C10 C11 C12 C7 -1(4) . .
O3 Nd5 Se10 C13 176.7(7) . .
O1 Nd5 Se10 C13 -177.6(7) 2_667 .
N6 Nd5 Se10 C13 -25.9(7) . .
Se5 Nd5 Se10 C13 -106.9(6) . .
Se8 Nd5 Se10 C13 99.3(6) . .
Se1 Nd5 Se10 C13 49.7(6) . .
Se2 Nd5 Se10 C13 -36.3(6) . .
Se9 Nd5 Se10 C13 54.7(6) . .
O3 Nd5 Se10 Nd3 -48.1(3) . 2_667
O1 Nd5 Se10 Nd3 -42.4(3) 2_667 2_667
N6 Nd5 Se10 Nd3 109.3(3) . 2_667
Se5 Nd5 Se10 Nd3 28.41(4) . 2_667
Se8 Nd5 Se10 Nd3 -125.47(4) . 2_667
Se1 Nd5 Se10 Nd3 -175.03(7) . 2_667
Se2 Nd5 Se10 Nd3 99.01(9) . 2_667
Se9 Nd5 Se10 Nd3 -170.06(5) . 2_667
O3 Nd5 Se10 Nd2 32.5(3) . 2_667
O1 Nd5 Se10 Nd2 38.2(3) 2_667 2_667
N6 Nd5 Se10 Nd2 -170.1(3) . 2_667
Se5 Nd5 Se10 Nd2 108.97(4) . 2_667
Se8 Nd5 Se10 Nd2 -44.90(4) . 2_667
Se1 Nd5 Se10 Nd2 -94.46(8) . 2_667
Se2 Nd5 Se10 Nd2 179.58(8) . 2_667
Se9 Nd5 Se10 Nd2 -89.49(5) . 2_667
Nd3 Se10 C13 C14 76.1(16) 2_667 .
Nd2 Se10 C13 C14 -48.2(18) 2_667 .
Nd5 Se10 C13 C14 -170.6(12) . .
Nd3 Se10 C13 C18 -106.2(14) 2_667 .
Nd2 Se10 C13 C18 129.5(12) 2_667 .
Nd5 Se10 C13 C18 7.1(17) . .
C18 C13 C14 C15 6(3) . .
Se10 C13 C14 C15 -175.8(16) . .
C13 C14 C15 C16 -3(3) . .
C14 C15 C16 C17 -1(3) . .
C15 C16 C17 C18 1(3) . .
C14 C13 C18 C17 -6(3) . .
Se10 C13 C18 C17 176.2(15) . .
C16 C17 C18 C13 2(3) . .
Se12 Hg1 Se11 C19 47.3(7) . .
Se6 Hg1 Se11 C19 174.0(7) . .
Se5 Hg1 Se11 C19 -101.2(7) . .
Hg1 Se11 C19 C24 79.4(17) . .
Hg1 Se11 C19 C20 -107.7(15) . .
C24 C19 C20 C21 -3(3) . .
Se11 C19 C20 C21 -177.1(18) . .
C19 C20 C21 C22 0(4) . .
C20 C21 C22 C23 5(4) . .
C21 C22 C23 C24 -6(4) . .
C20 C19 C24 C23 3(3) . .
Se11 C19 C24 C23 175.8(16) . .
C22 C23 C24 C19 2(3) . .
Se11 Hg1 Se12 C25 66.0(6) . .
Se6 Hg1 Se12 C25 -56.1(5) . .
Se5 Hg1 Se12 C25 -145.0(5) . .
Hg1 Se12 C25 C30 171.9(14) . .
Hg1 Se12 C25 C26 -8.1(18) . .
C30 C25 C26 C27 -2(3) . .
Se12 C25 C26 C27 177.7(18) . .
C25 C26 C27 C28 6(4) . .
C26 C27 C28 C29 -4(4) . .
C27 C28 C29 C30 -1(3) . .
C26 C25 C30 C29 -2(3) . .
Se12 C25 C30 C29 177.5(15) . .
C28 C29 C30 C25 4(3) . .
O2 Nd6 N1 C35 65.8(16) . .
N9A Nd6 N1 C35 -129.2(16) . .
N7B Nd6 N1 C35 -62.7(16) . .
N9B Nd6 N1 C35 -133.9(17) . .
N7A Nd6 N1 C35 -54.3(15) . .
Se2 Nd6 N1 C35 155.1(15) . .
Se4 Nd6 N1 C35 -119.9(15) . .
Se1 Nd6 N1 C35 122.9(16) . .
Se7 Nd6 N1 C35 31.6(15) . .
Se3 Nd6 N1 C35 -43.1(17) . .
O2 Nd6 N1 C31 -110.5(15) . .
N9A Nd6 N1 C31 54.4(15) . .
N7B Nd6 N1 C31 121.0(16) . .
N9B Nd6 N1 C31 49.8(15) . .
N7A Nd6 N1 C31 129.3(16) . .
Se2 Nd6 N1 C31 -21.3(15) . .
Se4 Nd6 N1 C31 63.8(17) . .
Se1 Nd6 N1 C31 -53.4(14) . .
Se7 Nd6 N1 C31 -144.7(15) . .
Se3 Nd6 N1 C31 140.6(13) . .
C35 N1 C31 C32 -1(3) . .
Nd6 N1 C31 C32 176.2(16) . .
N1 C31 C32 C33 0(4) . .
C31 C32 C33 C34 1(4) . .
C32 C33 C34 C35 -2(4) . .
C31 N1 C35 C34 0(3) . .
Nd6 N1 C35 C34 -176.9(17) . .
C33 C34 C35 N1 1(4) . .
O1 Nd2 N2 C36 -99.2(14) . .
N8B Nd2 N2 C36 75.6(15) . .
N8A Nd2 N2 C36 78.0(14) . .
Se8 Nd2 N2 C36 169.5(13) 2_667 .
Se6 Nd2 N2 C36 114.7(13) . .
Se4 Nd2 N2 C36 5.6(15) . .
Se3 Nd2 N2 C36 -28.9(13) . .
Se10 Nd2 N2 C36 -115.3(14) 2_667 .
O1 Nd2 N2 C40 77.7(14) . .
N8B Nd2 N2 C40 -107.5(15) . .
N8A Nd2 N2 C40 -105.1(15) . .
Se8 Nd2 N2 C40 -13.6(14) 2_667 .
Se6 Nd2 N2 C40 -68.4(15) . .
Se4 Nd2 N2 C40 -177.5(12) . .
Se3 Nd2 N2 C40 148.0(14) . .
Se10 Nd2 N2 C40 61.6(13) 2_667 .
C40 N2 C36 C37 2(3) . .
Nd2 N2 C36 C37 179.4(15) . .
N2 C36 C37 C38 1(3) . .
C36 C37 C38 C39 -3(3) . .
C37 C38 C39 C40 2(3) . .
C36 N2 C40 C39 -3(3) . .
Nd2 N2 C40 C39 179.7(16) . .
C38 C39 C40 N2 1(3) . .
O1 Nd3 N3 C45 -4.1(13) . .
O2 Nd3 N3 C45 -105.6(12) . .
N4 Nd3 N3 C45 122.1(12) . .
Se5 Nd3 N3 C45 125.1(11) 2_667 .
Se3 Nd3 N3 C45 -53.2(11) . .
Se10 Nd3 N3 C45 36.9(11) 2_667 .
Se7 Nd3 N3 C45 -150.0(12) . .
O1 Nd3 N3 C41 173.8(9) . .
O2 Nd3 N3 C41 72.3(11) . .
N4 Nd3 N3 C41 -60.1(10) . .
Se5 Nd3 N3 C41 -57.1(12) 2_667 .
Se3 Nd3 N3 C41 124.6(11) . .
Se10 Nd3 N3 C41 -145.3(10) 2_667 .
Se7 Nd3 N3 C41 27.9(10) . .
C45 N3 C41 C42 6(2) . .
Nd3 N3 C41 C42 -172.1(11) . .
N3 C41 C42 C43 -6(3) . .
C41 C42 C43 C44 4(3) . .
C42 C43 C44 C45 -3(3) . .
C41 N3 C45 C44 -5(2) . .
Nd3 N3 C45 C44 173.2(13) . .
C43 C44 C45 N3 3(3) . .
O1 Nd3 N4 C50 61.2(13) . .
O2 Nd3 N4 C50 179.1(10) . .
N3 Nd3 N4 C50 -61.0(12) . .
Se5 Nd3 N4 C50 120.8(12) 2_667 .
Se3 Nd3 N4 C50 -55.2(13) . .
Se10 Nd3 N4 C50 24.7(12) 2_667 .
Se7 Nd3 N4 C50 -147.2(12) . .
O1 Nd3 N4 C46 -122.9(11) . .
O2 Nd3 N4 C46 -4.9(14) . .
N3 Nd3 N4 C46 114.9(12) . .
Se5 Nd3 N4 C46 -63.3(11) 2_667 .
Se3 Nd3 N4 C46 120.8(11) . .
Se10 Nd3 N4 C46 -159.4(12) 2_667 .
Se7 Nd3 N4 C46 28.8(11) . .
C50 N4 C46 C47 2(2) . .
Nd3 N4 C46 C47 -173.8(14) . .
N4 C46 C47 C48 -6(3) . .
C46 C47 C48 C49 3(3) . .
C47 C48 C49 C50 3(3) . .
C46 N4 C50 C49 4(2) . .
Nd3 N4 C50 C49 -179.9(13) . .
C48 C49 C50 N4 -7(3) . .
O3 Nd4 N5 C55 79.6(12) . .
O2 Nd4 N5 C55 -162.6(10) . .
Se5 Nd4 N5 C55 -56.5(12) 2_667 .
Se6 Nd4 N5 C55 13.0(11) 2_667 .
Se1 Nd4 N5 C55 132.8(11) . .
Se7 Nd4 N5 C55 -133.9(11) . .
Se8 Nd4 N5 C55 61.5(10) . .
O3 Nd4 N5 C51 -102.5(12) . .
O2 Nd4 N5 C51 15.3(13) . .
Se5 Nd4 N5 C51 121.4(11) 2_667 .
Se6 Nd4 N5 C51 -169.1(11) 2_667 .
Se1 Nd4 N5 C51 -49.3(11) . .
Se7 Nd4 N5 C51 44.0(11) . .
Se8 Nd4 N5 C51 -120.6(12) . .
C55 N5 C51 C52 0(2) . .
Nd4 N5 C51 C52 -178.3(15) . .
N5 C51 C52 C53 3(3) . .
C51 C52 C53 C54 -4(3) . .
C52 C53 C54 C55 3(3) . .
C51 N5 C55 C54 -2(2) . .
Nd4 N5 C55 C54 176.4(13) . .
C53 C54 C55 N5 0(3) . .
O3 Nd5 N6 C56 90.8(13) . .
O1 Nd5 N6 C56 -28.5(15) 2_667 .
Se5 Nd5 N6 C56 34.5(12) . .
Se8 Nd5 N6 C56 -128.3(12) . .
Se1 Nd5 N6 C56 156.2(13) . .
Se10 Nd5 N6 C56 -59.1(12) . .
Se2 Nd5 N6 C56 115.4(13) . .
Se9 Nd5 N6 C56 -124.6(13) . .
O3 Nd5 N6 C60 -101.0(12) . .
O1 Nd5 N6 C60 139.6(11) 2_667 .
Se5 Nd5 N6 C60 -157.4(12) . .
Se8 Nd5 N6 C60 39.9(12) . .
Se1 Nd5 N6 C60 -35.7(11) . .
Se10 Nd5 N6 C60 109.1(11) . .
Se2 Nd5 N6 C60 -76.5(11) . .
Se9 Nd5 N6 C60 43.6(11) . .
C60 N6 C56 C57 2(3) . .
Nd5 N6 C56 C57 170.9(15) . .
N6 C56 C57 C58 -3(3) . .
C56 C57 C58 C59 3(3) . .
C57 C58 C59 C60 -1(3) . .
C56 N6 C60 C59 -1(2) . .
Nd5 N6 C60 C59 -170.2(13) . .
C58 C59 C60 N6 1(3) . .
O2 Nd6 N7A C61A -172.7(9) . .
N9A Nd6 N7A C61A 38.9(10) . .
N7B Nd6 N7A C61A 91(3) . .
N1 Nd6 N7A C61A -51.4(10) . .
N9B Nd6 N7A C61A 24.0(11) . .
Se2 Nd6 N7A C61A 26.7(14) . .
Se4 Nd6 N7A C61A 103.8(9) . .
Se1 Nd6 N7A C61A -55.4(11) . .
Se7 Nd6 N7A C61A -133.7(10) . .
Se3 Nd6 N7A C61A 136.6(10) . .
O2 Nd6 N7A C65A 12.0(11) . .
N9A Nd6 N7A C65A -136.5(11) . .
N7B Nd6 N7A C65A -85(3) . .
N1 Nd6 N7A C65A 133.2(11) . .
N9B Nd6 N7A C65A -151.4(12) . .
Se2 Nd6 N7A C65A -148.7(10) . .
Se4 Nd6 N7A C65A -71.6(10) . .
Se1 Nd6 N7A C65A 129.3(9) . .
Se7 Nd6 N7A C65A 51.0(10) . .
Se3 Nd6 N7A C65A -38.7(9) . .
C65A N7A C61A C62A 0.0 . .
Nd6 N7A C61A C62A -175.4(11) . .
N7A C61A C62A C63A 0.0 . .
C61A C62A C63A C64A 0.0 . .
C62A C63A C64A C65A 0.0 . .
C63A C64A C65A N7A 0.0 . .
C61A N7A C65A C64A 0.0 . .
Nd6 N7A C65A C64A 175.2(11) . .
O1 Nd2 N8A C66A -146.0(14) . .
N8B Nd2 N8A C66A -173(13) . .
N2 Nd2 N8A C66A 40.1(11) . .
Se8 Nd2 N8A C66A -62.3(11) 2_667 .
Se6 Nd2 N8A C66A -118.2(11) . .
Se4 Nd2 N8A C66A 162.4(11) . .
Se3 Nd2 N8A C66A 120.8(11) . .
Se10 Nd2 N8A C66A 19.7(15) 2_667 .
O1 Nd2 N8A C70A 24(2) . .
N8B Nd2 N8A C70A -3(12) . .
N2 Nd2 N8A C70A -150.1(12) . .
Se8 Nd2 N8A C70A 107.5(10) 2_667 .
Se6 Nd2 N8A C70A 51.6(10) . .
Se4 Nd2 N8A C70A -27.8(10) . .
Se3 Nd2 N8A C70A -69.4(10) . .
Se10 Nd2 N8A C70A -170.6(8) 2_667 .
C70A N8A C66A C67A 0.0 . .
Nd2 N8A C66A C67A 169.4(15) . .
N8A C66A C67A C68A 0.0 . .
C66A C67A C68A C69A 0.0 . .
C67A C68A C69A C70A 0.0 . .
C68A C69A C70A N8A 0.0 . .
C66A N8A C70A C69A 0.0 . .
Nd2 N8A C70A C69A -170.1(14) . .
O2 Nd6 N9A C71A 86.5(12) . .
N7B Nd6 N9A C71A -151.9(12) . .
N1 Nd6 N9A C71A -72.5(10) . .
N9B Nd6 N9A C71A -55(3) . .
N7A Nd6 N9A C71A -140.5(11) . .
Se2 Nd6 N9A C71A 33.5(9) . .
Se4 Nd6 N9A C71A 112.0(10) . .
Se1 Nd6 N9A C71A -3.5(10) . .
Se7 Nd6 N9A C71A -122.7(10) . .
Se3 Nd6 N9A C71A 150.1(10) . .
O2 Nd6 N9A C75A -86.7(11) . .
N7B Nd6 N9A C75A 34.8(10) . .
N1 Nd6 N9A C75A 114.3(10) . .
N9B Nd6 N9A C75A 132(3) . .
N7A Nd6 N9A C75A 46.3(9) . .
Se2 Nd6 N9A C75A -139.7(10) . .
Se4 Nd6 N9A C75A -61.2(9) . .
Se1 Nd6 N9A C75A -176.7(9) . .
Se7 Nd6 N9A C75A 64.1(14) . .
Se3 Nd6 N9A C75A -23.1(9) . .
C75A N9A C71A C72A 0.0 . .
Nd6 N9A C71A C72A -173.2(12) . .
N9A C71A C72A C73A 0.0 . .
C71A C72A C73A C74A 0.0 . .
C72A C73A C74A C75A 0.0 . .
C73A C74A C75A N9A 0.0 . .
C71A N9A C75A C74A 0.0 . .
Nd6 N9A C75A C74A 173.2(12) . .
O2 Nd6 N7B C61B 121.9(14) . .
N9A Nd6 N7B C61B -20.2(14) . .
N1 Nd6 N7B C61B -109.1(15) . .
N9B Nd6 N7B C61B -35.5(15) . .
N7A Nd6 N7B C61B -145(4) . .
Se2 Nd6 N7B C61B -11.4(18) . .
Se4 Nd6 N7B C61B 48.5(14) . .
Se1 Nd6 N7B C61B -98.7(16) . .
Se7 Nd6 N7B C61B 171.6(14) . .
Se3 Nd6 N7B C61B 85.8(14) . .
O2 Nd6 N7B C65B -48.9(15) . .
N9A Nd6 N7B C65B 169.0(15) . .
N1 Nd6 N7B C65B 80.1(13) . .
N9B Nd6 N7B C65B 153.7(15) . .
N7A Nd6 N7B C65B 45(3) . .
Se2 Nd6 N7B C65B 177.8(10) . .
Se4 Nd6 N7B C65B -122.3(13) . .
Se1 Nd6 N7B C65B 90.5(15) . .
Se7 Nd6 N7B C65B 0.8(13) . .
Se3 Nd6 N7B C65B -85.0(13) . .
C65B N7B C61B C62B 0.0 . .
Nd6 N7B C61B C62B -170.3(17) . .
N7B C61B C62B C63B 0.0 . .
C61B C62B C63B C64B 0.0 . .
C62B C63B C64B C65B 0.0 . .
C63B C64B C65B N7B 0.0 . .
C61B N7B C65B C64B 0.0 . .
Nd6 N7B C65B C64B 171.3(15) . .
O1 Nd2 N8B C66B -103.2(17) . .
N2 Nd2 N8B C66B 86.5(14) . .
N8A Nd2 N8B C66B 54(12) . .
Se8 Nd2 N8B C66B -15.6(14) 2_667 .
Se6 Nd2 N8B C66B -70.3(13) . .
Se4 Nd2 N8B C66B -150.7(14) . .
Se3 Nd2 N8B C66B 168.9(13) . .
Se10 Nd2 N8B C66B 68.1(18) 2_667 .
O1 Nd2 N8B C70B 94(2) . .
N2 Nd2 N8B C70B -76.1(16) . .
N8A Nd2 N8B C70B -108(13) . .
Se8 Nd2 N8B C70B -178.2(15) 2_667 .
Se6 Nd2 N8B C70B 127.1(16) . .
Se4 Nd2 N8B C70B 46.7(15) . .
Se3 Nd2 N8B C70B 6.3(16) . .
Se10 Nd2 N8B C70B -94.5(19) 2_667 .
C70B N8B C66B C67B 0.0 . .
Nd2 N8B C66B C67B -163.1(16) . .
N8B C66B C67B C68B 0.0 . .
C66B C67B C68B C69B 0.0 . .
C67B C68B C69B C70B 0.0 . .
C68B C69B C70B N8B 0.0 . .
C66B N8B C70B C69B 0.0 . .
Nd2 N8B C70B C69B 161.7(17) . .
O2 Nd6 N9B C71B -13(2) . .
N9A Nd6 N9B C71B 44(2) . .
N7B Nd6 N9B C71B 120.9(15) . .
N1 Nd6 N9B C71B -154.7(14) . .
N7A Nd6 N9B C71B 134.1(14) . .
Se2 Nd6 N9B C71B -44.5(12) . .
Se4 Nd6 N9B C71B 31.7(12) . .
Se1 Nd6 N9B C71B -86.6(13) . .
Se7 Nd6 N9B C71B 178.3(10) . .
Se3 Nd6 N9B C71B 69.8(13) . .
O2 Nd6 N9B C75B 173.4(13) . .
N9A Nd6 N9B C75B -129(3) . .
N7B Nd6 N9B C75B -52.4(13) . .
N1 Nd6 N9B C75B 32.0(12) . .
N7A Nd6 N9B C75B -39.2(12) . .
Se2 Nd6 N9B C75B 142.1(13) . .
Se4 Nd6 N9B C75B -141.6(12) . .
Se1 Nd6 N9B C75B 100.1(12) . .
Se7 Nd6 N9B C75B 4.9(18) . .
Se3 Nd6 N9B C75B -103.5(12) . .
C75B N9B C71B C72B 0.0 . .
Nd6 N9B C71B C72B -173.4(16) . .
N9B C71B C72B C73B 0.0 . .
C71B C72B C73B C74B 0.0 . .
C72B C73B C74B C75B 0.0 . .
C73B C74B C75B N9B 0.0 . .
C71B N9B C75B C74B 0.0 . .
Nd6 N9B C75B C74B 173.2(16) . .
C80 N10 C76 C77 0.0 . .
C235 N10 C76 C77 31(10) . .
N10 C76 C77 C78 0.0 . .
C76 C77 C78 C79 0.0 . .
C77 C78 C79 C80 0.0 . .
C78 C79 C80 N10 0.0 . .
C76 N10 C80 C79 0.0 . .
C235 N10 C80 C79 -43(18) . .
Se15 Hg2 Se13 C81 170.2(6) . .
Se14 Hg2 Se13 C81 -9.7(6) . .
Hg2 Se13 C81 C82 22.1(15) . .
Hg2 Se13 C81 C86 -157.9(15) . .
C86 C81 C82 C83 0.0 . .
Se13 C81 C82 C83 179.98(14) . .
C81 C82 C83 C84 0.0 . .
C82 C83 C84 C85 0.0 . .
C83 C84 C85 C86 0.0 . .
C84 C85 C86 C81 0.0 . .
C82 C81 C86 C85 0.0 . .
Se13 C81 C86 C85 -179.98(14) . .
Se13 Hg2 Se14 C87 157.7(13) . .
Se15 Hg2 Se14 C87 -22.2(13) . .
Hg2 Se14 C87 C88 -55(3) . .
Hg2 Se14 C87 C92 125(3) . .
C92 C87 C88 C89 0.0 . .
Se14 C87 C88 C89 179.99(14) . .
C87 C88 C89 C90 0.0 . .
C88 C89 C90 C91 0.0 . .
C89 C90 C91 C92 0.0 . .
C90 C91 C92 C87 0.0 . .
C88 C87 C92 C91 0.0 . .
Se14 C87 C92 C91 -179.99(14) . .
Se13 Hg2 Se15 C93 -21.4(5) . .
Se14 Hg2 Se15 C93 158.6(5) . .
Hg2 Se15 C93 C94 -15.4(13) . .
Hg2 Se15 C93 C98 164.6(13) . .
C98 C93 C94 C95 0.0 . .
Se15 C93 C94 C95 -179.97(14) . .
C93 C94 C95 C96 0.0 . .
C94 C95 C96 C97 0.0 . .
C95 C96 C97 C98 0.0 . .
C96 C97 C98 C93 0.0 . .
C94 C93 C98 C97 0.0 . .
Se15 C93 C98 C97 179.97(14) . .
Se24 Hg2B Se23 C231 86(9) . .
Se25 Hg2B Se23 C231 -94(9) . .
Hg2B Se23 C231 C232 -84(17) . .
Hg2B Se23 C231 C236 96(17) . .
C236 C231 C232 C233 0.00(6) . .
Se23 C231 C232 C233 180.00(16) . .
C231 C232 C233 C234 0.00(16) . .
C232 C233 C234 C235 0.0 . .
C233 C234 C235 C236 0.0(2) . .
C233 C234 C235 N10 -133(28) . .
C76 N10 C235 C234 124(25) . .
C80 N10 C235 C234 -93(32) . .
C76 N10 C235 C236 58(21) . .
C80 N10 C235 C236 -159(33) . .
C234 C235 C236 C231 0.00(5) . .
N10 C235 C236 C231 29(22) . .
C232 C231 C236 C235 0.00(9) . .
Se23 C231 C236 C235 180.00(17) . .
Se25 Hg2B Se24 C241 11(3) . .
Se23 Hg2B Se24 C241 -169(3) . .
Hg2B Se24 C241 C242 80(6) . .
Hg2B Se24 C241 C246 -100(6) . .
C246 C241 C242 C243 0.0 . .
Se24 C241 C242 C243 180.00(14) . .
C241 C242 C243 C244 0.0 . .
C242 C243 C244 C245 0.00(5) . .
C243 C244 C245 C246 0.0 . .
C244 C245 C246 C241 0.0 . .
C242 C241 C246 C245 0.00(5) . .
Se24 C241 C246 C245 180.00(14) . .
Se24 Hg2B Se25 C251 -7(2) . .
Se23 Hg2B Se25 C251 173(2) . .
Hg2B Se25 C251 C252 111(4) . .
Hg2B Se25 C251 C256 -69(4) . .
C256 C251 C252 C253 0.0 . .
Se25 C251 C252 C253 -179.99(14) . .
C251 C252 C253 C254 0.0 . .
C252 C253 C254 C255 0.0 . .
C253 C254 C255 C256 0.0 . .
C254 C255 C256 C251 0.0 . .
C252 C251 C256 C255 0.0 . .
Se25 C251 C256 C255 179.99(14) . .
C346 N341 C342 C343 0.0 . .
N341 C342 C343 C344 0.0 . .
C342 C343 C344 C345 0.0 . .
C343 C344 C345 C346 0.0 . .
C344 C345 C346 N341 0.0 . .
C342 N341 C346 C345 0.0 . .
Se17 Hg3 Se16 C99 171.4(6) . .
Se18 Hg3 Se16 C99 -8.6(6) . .
Hg3 Se16 C99 C100 1(2) . .
Hg3 Se16 C99 C104 -179(2) . .
C104 C99 C100 C101 0.0 . .
Se16 C99 C100 C101 179.97(14) . .
C99 C100 C101 C102 0.0 . .
C100 C101 C102 C103 0.0 . .
C101 C102 C103 C104 0.0 . .
C102 C103 C104 C99 0.0 . .
C100 C99 C104 C103 0.0 . .
Se16 C99 C104 C103 -179.97(14) . .
Se16 Hg3 Se17 C105 -5.4(6) . .
Se18 Hg3 Se17 C105 174.6(6) . .
Hg3 Se17 C105 C106 5.9(19) . .
Hg3 Se17 C105 C110 -174.1(19) . .
C110 C105 C106 C107 0.0 . .
Se17 C105 C106 C107 179.98(14) . .
C105 C106 C107 C108 0.0 . .
C106 C107 C108 C109 0.0 . .
C107 C108 C109 C110 0.0 . .
C108 C109 C110 C105 0.0 . .
C106 C105 C110 C109 0.0 . .
Se17 C105 C110 C109 -179.99(14) . .
Se17 Hg3 Se18 C111 -8.0(6) . .
Se16 Hg3 Se18 C111 172.0(6) . .
Hg3 Se18 C111 C112 157.0(15) . .
Hg3 Se18 C111 C116 -23.0(15) . .
C116 C111 C112 C113 0.0 . .
Se18 C111 C112 C113 179.98(14) . .
C111 C112 C113 C114 0.0 . .
C112 C113 C114 C115 0.0 . .
C113 C114 C115 C116 0.0 . .
C114 C115 C116 C111 0.0 . .
C112 C111 C116 C115 0.0 . .
Se18 C111 C116 C115 -179.98(14) . .
