#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:46:46 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179077 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/39/4303913.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_4303913
loop_
_publ_author_name
'Adel M. Najar'
'Ian S. Tidmarsh'
'Harry Adams'
'Michael D. Ward'
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
Cubes, Squares, and Books: A Simple Transition Metal/Bridging Ligand
Combination Can Lead to a Surprising Range of Structural Types with the
Same Metal/Ligand Proportions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11871
_journal_page_last               11881
_journal_paper_doi               10.1021/ic901892y
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C276 H228 B16 Co8 F64 N84'
_chemical_formula_weight         6581.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 113.099(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.5900(9)
_cell_length_b                   42.658(2)
_cell_length_c                   21.1943(9)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      20.760
_cell_measurement_theta_min      2.255
_cell_volume                     16291.5(13)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1209
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            155143
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.497
_exptl_absorpt_correction_T_max  0.7959
_exptl_absorpt_correction_T_min  1
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             6688
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.153
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2089
_refine_ls_number_reflns         21281
_refine_ls_number_restraints     497
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1321
_refine_ls_R_factor_gt           0.0985
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1652P)²+59.5974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2674
_refine_ls_wR_factor_ref         0.2897
_reflns_number_gt                14613
_reflns_number_total             21281
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901892y_si_001_2.cif
_cod_data_source_block           imw1263p21n
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        16291.6(13)
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               4303913
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.60073(7) 0.67541(3) 0.36584(6) 0.0418(3) Uani 1 1 d . . .
Co2 Co 0.60319(6) 0.45251(3) 0.23052(5) 0.0339(3) Uani 1 1 d . . .
Co3 Co 1.07539(6) 0.65334(3) 0.32119(5) 0.0381(3) Uani 1 1 d . . .
Co4 Co 0.90452(6) 0.57222(3) 0.80184(5) 0.0365(3) Uani 1 1 d . . .
N111 N 0.5867(4) 0.70515(18) 0.4414(4) 0.0498(19) Uani 1 1 d . . .
C112 C 0.5751(5) 0.6900(2) 0.4921(4) 0.047(2) Uani 1 1 d . . .
C113 C 0.5621(6) 0.7063(3) 0.5436(5) 0.067(3) Uani 1 1 d . . .
H113 H 0.5530 0.6954 0.5786 0.080 Uiso 1 1 calc R . .
C114 C 0.5628(8) 0.7389(3) 0.5423(7) 0.093(4) Uani 1 1 d . . .
H114 H 0.5533 0.7506 0.5762 0.111 Uiso 1 1 calc R . .
C115 C 0.5773(8) 0.7542(3) 0.4921(7) 0.089(4) Uani 1 1 d . . .
H115 H 0.5787 0.7764 0.4912 0.106 Uiso 1 1 calc R . .
C116 C 0.5897(7) 0.7369(3) 0.4433(6) 0.072(3) Uani 1 1 d . . .
H116 H 0.6009 0.7476 0.4093 0.087 Uiso 1 1 calc R . .
N121 N 0.5969(4) 0.61159(17) 0.4525(3) 0.0446(18) Uani 1 1 d . . .
N122 N 0.6010(4) 0.64259(17) 0.4441(3) 0.0405(17) Uani 1 1 d . . .
C123 C 0.5765(5) 0.6562(2) 0.4894(4) 0.046(2) Uani 1 1 d . . .
C124 C 0.5560(5) 0.6334(2) 0.5252(4) 0.053(2) Uani 1 1 d . . .
H124 H 0.5362 0.6366 0.5591 0.063 Uiso 1 1 calc R . .
C125 C 0.5702(5) 0.6046(2) 0.5010(4) 0.053(2) Uani 1 1 d . . .
H125 H 0.5628 0.5843 0.5157 0.064 Uiso 1 1 calc R . .
C126 C 0.6266(5) 0.5892(2) 0.4167(4) 0.046(2) Uani 1 1 d . . .
H12A H 0.6510 0.5718 0.4483 0.055 Uiso 1 1 calc R . .
H12B H 0.6648 0.5999 0.4048 0.055 Uiso 1 1 calc R . .
N131 N 0.5058(4) 0.42747(17) 0.1592(3) 0.0406(17) Uani 1 1 d . . .
C132 C 0.4663(4) 0.4439(2) 0.1011(4) 0.040(2) Uani 1 1 d . . .
C133 C 0.4127(5) 0.4293(3) 0.0457(5) 0.063(3) Uani 1 1 d . . .
H133 H 0.3852 0.4412 0.0059 0.075 Uiso 1 1 calc R . .
C134 C 0.3983(6) 0.3982(3) 0.0470(5) 0.068(3) Uani 1 1 d . . .
H134 H 0.3617 0.3883 0.0084 0.082 Uiso 1 1 calc R . .
C135 C 0.4381(5) 0.3814(3) 0.1060(5) 0.060(3) Uani 1 1 d . . .
H135 H 0.4292 0.3596 0.1088 0.072 Uiso 1 1 calc R . .
C136 C 0.4912(5) 0.3968(2) 0.1605(4) 0.047(2) Uani 1 1 d . . .
H136 H 0.5185 0.3852 0.2008 0.056 Uiso 1 1 calc R . .
N141 N 0.5410(4) 0.51936(18) 0.1501(3) 0.0458(18) Uani 1 1 d . . .
N142 N 0.5386(4) 0.48810(17) 0.1605(3) 0.0407(17) Uani 1 1 d . . .
C143 C 0.4834(4) 0.4769(2) 0.1041(4) 0.038(2) Uani 1 1 d . . .
C144 C 0.4512(6) 0.5008(2) 0.0566(5) 0.057(3) Uani 1 1 d . . .
H144 H 0.4121 0.4992 0.0125 0.069 Uiso 1 1 calc R . .
C145 C 0.4896(6) 0.5269(2) 0.0888(5) 0.058(3) Uani 1 1 d . . .
H145 H 0.4809 0.5475 0.0702 0.069 Uiso 1 1 calc R . .
C146 C 0.5872(5) 0.5395(2) 0.2044(4) 0.046(2) Uani 1 1 d . . .
H14A H 0.6009 0.5581 0.1841 0.055 Uiso 1 1 calc R . .
H14B H 0.6336 0.5282 0.2318 0.055 Uiso 1 1 calc R . .
N151 N 0.5973(4) 0.56423(16) 0.3092(3) 0.0423(17) Uani 1 1 d . . .
C152 C 0.5680(5) 0.57585(19) 0.3520(4) 0.041(2) Uani 1 1 d . . .
C153 C 0.4950(5) 0.5736(2) 0.3408(4) 0.048(2) Uani 1 1 d . . .
H153 H 0.4769 0.5817 0.3731 0.058 Uiso 1 1 calc R . .
C154 C 0.4482(5) 0.5593(3) 0.2823(5) 0.059(3) Uani 1 1 d . . .
H154 H 0.3967 0.5576 0.2727 0.071 Uiso 1 1 calc R . .
C155 C 0.4771(5) 0.5471(2) 0.2362(5) 0.054(2) Uani 1 1 d . . .
H155 H 0.4458 0.5369 0.1952 0.065 Uiso 1 1 calc R . .
C156 C 0.5502(5) 0.55024(19) 0.2517(4) 0.040(2) Uani 1 1 d . . .
N211 N 0.6002(4) 0.71314(17) 0.2999(4) 0.0472(18) Uani 1 1 d . . .
C212 C 0.6637(6) 0.7292(2) 0.3169(5) 0.054(2) Uani 1 1 d . . .
C213 C 0.6709(6) 0.7553(2) 0.2798(5) 0.065(3) Uani 1 1 d . . .
H213 H 0.7163 0.7666 0.2942 0.078 Uiso 1 1 calc R . .
C214 C 0.6119(7) 0.7642(3) 0.2232(6) 0.076(3) Uani 1 1 d . . .
H214 H 0.6159 0.7816 0.1970 0.091 Uiso 1 1 calc R . .
C215 C 0.5452(7) 0.7477(3) 0.2033(6) 0.075(3) Uani 1 1 d . . .
H215 H 0.5033 0.7535 0.1636 0.090 Uiso 1 1 calc R . .
C216 C 0.5423(6) 0.7227(2) 0.2434(5) 0.060(3) Uani 1 1 d . . .
H216 H 0.4968 0.7116 0.2304 0.072 Uiso 1 1 calc R . .
N221 N 0.7786(4) 0.68452(17) 0.4586(3) 0.0425(17) Uani 1 1 d . . .
N222 N 0.7150(4) 0.68943(17) 0.4030(3) 0.0419(17) Uani 1 1 d . . .
C223 C 0.7241(5) 0.7177(2) 0.3780(5) 0.048(2) Uani 1 1 d . . .
C224 C 0.7919(5) 0.7301(2) 0.4182(5) 0.049(2) Uani 1 1 d . . .
H224 H 0.8116 0.7496 0.4118 0.059 Uiso 1 1 calc R . .
C225 C 0.8258(5) 0.7089(2) 0.4697(5) 0.052(2) Uani 1 1 d . . .
H225 H 0.8732 0.7109 0.5060 0.062 Uiso 1 1 calc R . .
C226 C 0.7919(5) 0.6549(2) 0.4955(4) 0.047(2) Uani 1 1 d . . .
H22A H 0.8453 0.6496 0.5113 0.057 Uiso 1 1 calc R . .
H22B H 0.7635 0.6382 0.4635 0.057 Uiso 1 1 calc R . .
N231 N 0.8944(4) 0.58306(17) 0.8981(3) 0.0445(18) Uani 1 1 d . . .
C232 C 0.8242(6) 0.5848(2) 0.8942(4) 0.050(2) Uani 1 1 d . . .
C233 C 0.8068(6) 0.5857(3) 0.9510(5) 0.073(3) Uani 1 1 d . . .
H233 H 0.7565 0.5865 0.9461 0.087 Uiso 1 1 calc R . .
C234 C 0.8642(7) 0.5852(3) 1.0162(5) 0.084(4) Uani 1 1 d . . .
H234 H 0.8536 0.5852 1.0562 0.101 Uiso 1 1 calc R . .
C235 C 0.9361(7) 0.5848(3) 1.0211(5) 0.073(3) Uani 1 1 d . . .
H235 H 0.9764 0.5853 1.0647 0.087 Uiso 1 1 calc R . .
C236 C 0.9491(6) 0.5834(2) 0.9603(4) 0.054(3) Uani 1 1 d . . .
H236 H 0.9989 0.5828 0.9637 0.065 Uiso 1 1 calc R . .
N241 N 0.7266(4) 0.58766(17) 0.7151(3) 0.0469(18) Uani 1 1 d . . .
N242 N 0.7893(4) 0.58485(16) 0.7727(3) 0.0423(17) Uani 1 1 d . . .
C243 C 0.7678(5) 0.5869(2) 0.8250(4) 0.045(2) Uani 1 1 d . . .
C244 C 0.6906(5) 0.5901(3) 0.8001(6) 0.063(3) Uani 1 1 d . . .
H244 H 0.6607 0.5908 0.8261 0.075 Uiso 1 1 calc R . .
C245 C 0.6676(5) 0.5919(2) 0.7305(5) 0.056(3) Uani 1 1 d . . .
H245 H 0.6182 0.5957 0.6987 0.068 Uiso 1 1 calc R . .
C246 C 0.7315(5) 0.5904(2) 0.6481(4) 0.051(2) Uani 1 1 d . . .
H24A H 0.6847 0.5829 0.6118 0.061 Uiso 1 1 calc R . .
H24B H 0.7724 0.5771 0.6472 0.061 Uiso 1 1 calc R . .
N251 N 0.7603(4) 0.62663(17) 0.5765(3) 0.0444(18) Uani 1 1 d . . .
C252 C 0.7706(5) 0.6549(2) 0.5572(4) 0.045(2) Uani 1 1 d . . .
C253 C 0.7661(5) 0.6824(2) 0.5907(4) 0.054(2) Uani 1 1 d . . .
H253 H 0.7710 0.7025 0.5736 0.064 Uiso 1 1 calc R . .
C254 C 0.7541(6) 0.6787(2) 0.6506(5) 0.060(3) Uani 1 1 d . . .
H254 H 0.7542 0.6967 0.6772 0.073 Uiso 1 1 calc R . .
C255 C 0.7420(5) 0.6498(2) 0.6723(4) 0.051(2) Uani 1 1 d . . .
H255 H 0.7317 0.6474 0.7122 0.061 Uiso 1 1 calc R . .
C256 C 0.7454(5) 0.6246(2) 0.6337(4) 0.045(2) Uani 1 1 d . . .
N311 N 0.4845(4) 0.66591(17) 0.3142(3) 0.0451(18) Uani 1 1 d . . .
C312 C 0.4646(5) 0.6474(2) 0.2565(4) 0.045(2) Uani 1 1 d . . .
C313 C 0.3928(5) 0.6393(2) 0.2196(5) 0.054(2) Uani 1 1 d . . .
H313 H 0.3812 0.6267 0.1799 0.065 Uiso 1 1 calc R . .
C314 C 0.3373(5) 0.6488(2) 0.2379(5) 0.057(3) Uani 1 1 d . . .
H314 H 0.2872 0.6430 0.2120 0.069 Uiso 1 1 calc R . .
C315 C 0.3571(5) 0.6677(3) 0.2977(5) 0.063(3) Uani 1 1 d . . .
H315 H 0.3202 0.6750 0.3127 0.075 Uiso 1 1 calc R . .
C316 C 0.4298(5) 0.6752(2) 0.3330(5) 0.055(2) Uani 1 1 d . . .
H316 H 0.4425 0.6877 0.3732 0.065 Uiso 1 1 calc R . .
N321 N 0.6409(4) 0.63235(16) 0.2568(4) 0.0462(18) Uani 1 1 d . . .
N322 N 0.5960(4) 0.64276(16) 0.2869(3) 0.0435(18) Uani 1 1 d . . .
C323 C 0.5276(5) 0.6387(2) 0.2399(4) 0.042(2) Uani 1 1 d . . .
C324 C 0.5287(6) 0.6250(2) 0.1812(5) 0.052(2) Uani 1 1 d . . .
H324 H 0.4873 0.6193 0.1410 0.063 Uiso 1 1 calc R . .
C325 C 0.6019(6) 0.6216(2) 0.1930(5) 0.055(3) Uani 1 1 d . . .
H325 H 0.6216 0.6132 0.1622 0.066 Uiso 1 1 calc R . .
C326 C 0.7214(5) 0.6306(2) 0.2952(5) 0.049(2) Uani 1 1 d . . .
H32A H 0.7403 0.6115 0.2807 0.059 Uiso 1 1 calc R . .
H32B H 0.7317 0.6284 0.3446 0.059 Uiso 1 1 calc R . .
N331 N 1.1158(3) 0.68683(13) 0.2681(3) 0.052(2) Uani 1 1 d G . .
C332 C 1.1101(4) 0.71783(15) 0.2856(4) 0.076(3) Uani 1 1 d G . .
C333 C 1.1392(5) 0.74171(12) 0.2590(5) 0.103(5) Uani 1 1 d G . .
H333 H 1.1353 0.7629 0.2711 0.124 Uiso 1 1 calc R . .
C334 C 1.1739(5) 0.73459(19) 0.2148(5) 0.119(6) Uani 1 1 d G . .
H334 H 1.1938 0.7509 0.1966 0.143 Uiso 1 1 calc R . .
C335 C 1.1795(4) 0.7036(2) 0.1972(4) 0.086(4) Uani 1 1 d G . .
H335 H 1.2032 0.6987 0.1670 0.103 Uiso 1 1 calc R . .
C336 C 1.1505(4) 0.67971(15) 0.2238(3) 0.063(3) Uani 1 1 d G . .
H336 H 1.1543 0.6585 0.2118 0.075 Uiso 1 1 calc R . .
N341 N 0.9995(4) 0.7081(2) 0.3789(4) 0.063(2) Uani 1 1 d . . .
N342 N 1.0350(4) 0.69715(17) 0.3400(4) 0.0486(19) Uani 1 1 d . . .
C343 C 1.0677(5) 0.7221(2) 0.3267(6) 0.066(3) Uani 1 1 d . . .
C344 C 1.0539(7) 0.7491(3) 0.3570(8) 0.098(4) Uani 1 1 d . . .
H344 H 1.0715 0.7697 0.3559 0.117 Uiso 1 1 calc R . .
C345 C 1.0094(7) 0.7391(3) 0.3886(7) 0.089(4) Uani 1 1 d . . .
H345 H 0.9888 0.7519 0.4133 0.107 Uiso 1 1 calc R . .
C346 C 0.9458(5) 0.6877(3) 0.3922(5) 0.060(3) Uani 1 1 d . . .
H34A H 0.9373 0.6960 0.4322 0.072 Uiso 1 1 calc R . .
H34B H 0.9672 0.6664 0.4040 0.072 Uiso 1 1 calc R . .
N351 N 0.8306(4) 0.66196(18) 0.3372(4) 0.0494(19) Uani 1 1 d . . .
C352 C 0.7627(5) 0.6586(2) 0.2855(5) 0.045(2) Uani 1 1 d . . .
C353 C 0.7357(5) 0.6786(2) 0.2301(5) 0.049(2) Uani 1 1 d . . .
H353 H 0.6871 0.6760 0.1959 0.058 Uiso 1 1 calc R . .
C354 C 0.7813(6) 0.7025(3) 0.2255(5) 0.062(3) Uani 1 1 d . . .
H354 H 0.7648 0.7162 0.1870 0.075 Uiso 1 1 calc R . .
C355 C 0.8505(6) 0.7064(2) 0.2768(6) 0.061(3) Uani 1 1 d . . .
H355 H 0.8823 0.7229 0.2748 0.073 Uiso 1 1 calc R . .
C356 C 0.8729(5) 0.6856(2) 0.3319(5) 0.054(2) Uani 1 1 d . . .
N411 N 0.6529(4) 0.43691(16) 0.1635(3) 0.0370(16) Uani 1 1 d . . .
C412 C 0.6741(4) 0.4069(2) 0.1723(4) 0.039(2) Uani 1 1 d . . .
C413 C 0.6943(5) 0.3907(2) 0.1246(4) 0.046(2) Uani 1 1 d . . .
H413 H 0.7107 0.3695 0.1324 0.055 Uiso 1 1 calc R . .
C414 C 0.6897(5) 0.4063(2) 0.0663(4) 0.051(2) Uani 1 1 d . . .
H414 H 0.6996 0.3954 0.0317 0.061 Uiso 1 1 calc R . .
C415 C 0.6709(4) 0.4374(2) 0.0575(4) 0.042(2) Uani 1 1 d . . .
H415 H 0.6704 0.4486 0.0187 0.050 Uiso 1 1 calc R . .
C416 C 0.6526(4) 0.4518(2) 0.1072(4) 0.0366(19) Uani 1 1 d . . .
H416 H 0.6393 0.4734 0.1014 0.044 Uiso 1 1 calc R . .
N421 N 0.6600(4) 0.38969(18) 0.3296(3) 0.0449(18) Uani 1 1 d . . .
N422 N 0.6528(3) 0.40934(16) 0.2764(3) 0.0355(16) Uani 1 1 d . . .
C423 C 0.6746(5) 0.3920(2) 0.2340(4) 0.043(2) Uani 1 1 d . . .
C424 C 0.6959(5) 0.3617(2) 0.2617(5) 0.053(2) Uani 1 1 d . . .
H424 H 0.7132 0.3449 0.2424 0.064 Uiso 1 1 calc R . .
C425 C 0.6864(5) 0.3618(2) 0.3218(4) 0.051(2) Uani 1 1 d . . .
H425 H 0.6968 0.3448 0.3532 0.062 Uiso 1 1 calc R . .
C426 C 0.6448(5) 0.4003(2) 0.3881(4) 0.045(2) Uani 1 1 d . . .
H42A H 0.6224 0.3828 0.4040 0.054 Uiso 1 1 calc R . .
H42B H 0.6080 0.4175 0.3730 0.054 Uiso 1 1 calc R . .
N431 N 0.9730(4) 0.64592(16) 0.2363(3) 0.0388(16) Uani 1 1 d . . .
C432 C 0.9260(4) 0.62570(19) 0.2476(4) 0.0365(19) Uani 1 1 d . . .
C433 C 0.8550(5) 0.6204(2) 0.1985(4) 0.043(2) Uani 1 1 d . . .
H433 H 0.8230 0.6057 0.2069 0.052 Uiso 1 1 calc R . .
C434 C 0.8313(5) 0.6370(2) 0.1368(4) 0.050(2) Uani 1 1 d . . .
H434 H 0.7827 0.6340 0.1028 0.060 Uiso 1 1 calc R . .
C435 C 0.8795(5) 0.6579(2) 0.1260(5) 0.057(3) Uani 1 1 d . . .
H435 H 0.8647 0.6697 0.0848 0.068 Uiso 1 1 calc R . .
C436 C 0.9494(5) 0.6613(2) 0.1764(4) 0.048(2) Uani 1 1 d . . .
H436 H 0.9827 0.6753 0.1684 0.058 Uiso 1 1 calc R . .
N441 N 1.0295(4) 0.60378(17) 0.4181(3) 0.0409(17) Uani 1 1 d . . .
N442 N 1.0191(3) 0.62100(16) 0.3618(3) 0.0353(16) Uani 1 1 d . . .
C443 C 0.9549(4) 0.61027(19) 0.3142(4) 0.0358(19) Uani 1 1 d . . .
C444 C 0.9266(5) 0.5861(2) 0.3405(4) 0.045(2) Uani 1 1 d . . .
H444 H 0.8827 0.5743 0.3173 0.054 Uiso 1 1 calc R . .
C445 C 0.9749(5) 0.5829(2) 0.4059(5) 0.052(2) Uani 1 1 d . . .
H445 H 0.9710 0.5683 0.4381 0.062 Uiso 1 1 calc R . .
C446 C 1.0928(5) 0.6091(2) 0.4827(4) 0.047(2) Uani 1 1 d . . .
H44A H 1.0796 0.6019 0.5209 0.057 Uiso 1 1 calc R . .
H44B H 1.1025 0.6319 0.4884 0.057 Uiso 1 1 calc R . .
N451 N 1.2235(4) 0.60098(15) 0.5432(3) 0.0393(17) Uani 1 1 d . . .
C452 C 0.7132(5) 0.4118(2) 0.4479(4) 0.041(2) Uani 1 1 d . . .
C453 C 0.7046(5) 0.4339(2) 0.4924(4) 0.044(2) Uani 1 1 d . . .
H453 H 0.6575 0.4429 0.4838 0.053 Uiso 1 1 calc R . .
C454 C 0.7653(6) 0.4424(2) 0.5484(4) 0.054(3) Uani 1 1 d . . .
H454 H 0.7612 0.4571 0.5804 0.064 Uiso 1 1 calc R . .
C455 C 1.1665(5) 0.5708(2) 0.4419(4) 0.046(2) Uani 1 1 d . . .
H455 H 1.1230 0.5647 0.4040 0.055 Uiso 1 1 calc R . .
C456 C 1.1630(5) 0.5928(2) 0.4879(4) 0.041(2) Uani 1 1 d . . .
N511 N 0.5562(4) 0.46746(16) 0.2994(3) 0.0375(16) Uani 1 1 d . . .
C512 C 0.6019(4) 0.48474(18) 0.3532(4) 0.0343(19) Uani 1 1 d . . .
C513 C 0.5775(4) 0.4979(2) 0.4012(4) 0.038(2) Uani 1 1 d . . .
H513 H 0.6098 0.5101 0.4386 0.046 Uiso 1 1 calc R . .
C514 C 0.5042(5) 0.4926(2) 0.3920(4) 0.045(2) Uani 1 1 d . . .
H514 H 0.4853 0.5014 0.4230 0.054 Uiso 1 1 calc R . .
C515 C 0.4585(5) 0.4743(2) 0.3376(4) 0.050(2) Uani 1 1 d . . .
H515 H 0.4086 0.4702 0.3313 0.060 Uiso 1 1 calc R . .
C516 C 0.4870(5) 0.4625(2) 0.2932(4) 0.040(2) Uani 1 1 d . . .
H516 H 0.4557 0.4500 0.2560 0.048 Uiso 1 1 calc R . .
N521 N 0.7619(3) 0.48868(16) 0.3159(3) 0.0359(16) Uani 1 1 d . . .
N522 N 0.6894(3) 0.48062(15) 0.3003(3) 0.0315(15) Uani 1 1 d . . .
C523 C 0.6764(4) 0.48989(18) 0.3555(4) 0.0321(18) Uani 1 1 d . . .
C524 C 0.7377(5) 0.5034(2) 0.4044(4) 0.046(2) Uani 1 1 d . . .
H524 H 0.7422 0.5117 0.4474 0.055 Uiso 1 1 calc R . .
C525 C 0.7914(5) 0.5024(2) 0.3778(4) 0.049(2) Uani 1 1 d . . .
H525 H 0.8408 0.5100 0.3994 0.059 Uiso 1 1 calc R . .
C526 C 0.7969(4) 0.48406(19) 0.2677(4) 0.0369(19) Uani 1 1 d . . .
H52A H 0.8384 0.4991 0.2786 0.044 Uiso 1 1 calc R . .
H52B H 0.7603 0.4890 0.2210 0.044 Uiso 1 1 calc R . .
N531 N 0.8824(4) 0.52539(16) 0.8257(3) 0.0369(16) Uani 1 1 d . . .
C532 C 0.9400(5) 0.5113(2) 0.8730(4) 0.039(2) Uani 1 1 d . . .
C533 C 0.9320(6) 0.4840(2) 0.9065(4) 0.049(2) Uani 1 1 d . . .
H533 H 0.9743 0.4741 0.9399 0.059 Uiso 1 1 calc R . .
C534 C 0.8630(6) 0.4718(2) 0.8906(5) 0.052(2) Uani 1 1 d . . .
H534 H 0.8562 0.4537 0.9138 0.062 Uiso 1 1 calc R . .
C535 C 0.8036(5) 0.4859(2) 0.8406(4) 0.049(2) Uani 1 1 d . . .
H535 H 0.7552 0.4774 0.8279 0.059 Uiso 1 1 calc R . .
C536 C 0.8142(5) 0.5127(2) 0.8089(4) 0.042(2) Uani 1 1 d . . .
H536 H 0.7726 0.5224 0.7744 0.051 Uiso 1 1 calc R . .
N541 N 1.0855(4) 0.56138(19) 0.8777(4) 0.0479(19) Uani 1 1 d . . .
N542 N 1.0128(4) 0.55295(17) 0.8559(3) 0.0392(17) Uani 1 1 d . . .
C543 C 1.0122(5) 0.5256(2) 0.8878(4) 0.039(2) Uani 1 1 d . . .
C544 C 1.0853(5) 0.5163(2) 0.9300(4) 0.052(3) Uani 1 1 d . . .
H544 H 1.1004 0.4980 0.9575 0.063 Uiso 1 1 calc R . .
C545 C 1.1293(5) 0.5397(3) 0.9222(4) 0.054(3) Uani 1 1 d . . .
H545 H 1.1819 0.5405 0.9442 0.064 Uiso 1 1 calc R . .
C546 C 1.1100(5) 0.5887(2) 0.8519(4) 0.049(2) Uani 1 1 d . . .
H54A H 1.1549 0.5973 0.8888 0.059 Uiso 1 1 calc R . .
H54B H 1.0708 0.6050 0.8400 0.059 Uiso 1 1 calc R . .
N551 N 0.8453(3) 0.44593(17) 0.2140(3) 0.0390(17) Uani 1 1 d . . .
C552 C 0.8262(4) 0.4516(2) 0.2673(4) 0.041(2) Uani 1 1 d . . .
C553 C 0.8338(5) 0.4292(2) 0.3166(4) 0.046(2) Uani 1 1 d . . .
H553 H 0.8200 0.4340 0.3538 0.055 Uiso 1 1 calc R . .
C554 C 1.1393(5) 0.5995(2) 0.6877(5) 0.049(2) Uani 1 1 d . . .
H554 H 1.1339 0.6150 0.6539 0.059 Uiso 1 1 calc R . .
C555 C 1.1198(5) 0.6058(2) 0.7425(5) 0.051(2) Uani 1 1 d . . .
H555 H 1.1015 0.6258 0.7476 0.062 Uiso 1 1 calc R . .
C556 C 1.1273(5) 0.5824(2) 0.7895(4) 0.044(2) Uani 1 1 d . . .
N611 N 1.1795(4) 0.65959(17) 0.4082(3) 0.0413(17) Uani 1 1 d . . .
C612 C 1.2370(5) 0.6443(2) 0.4034(4) 0.042(2) Uani 1 1 d . . .
C613 C 1.3100(5) 0.6503(2) 0.4493(4) 0.050(2) Uani 1 1 d . . .
H613 H 1.3500 0.6392 0.4452 0.060 Uiso 1 1 calc R . .
C614 C 1.3235(5) 0.6720(2) 0.4994(5) 0.057(3) Uani 1 1 d . . .
H614 H 1.3729 0.6765 0.5301 0.069 Uiso 1 1 calc R . .
C615 C 1.2645(6) 0.6875(3) 0.5052(5) 0.061(3) Uani 1 1 d . . .
H615 H 1.2723 0.7024 0.5406 0.074 Uiso 1 1 calc R . .
C616 C 1.1939(5) 0.6809(2) 0.4584(5) 0.055(2) Uani 1 1 d . . .
H616 H 1.1534 0.6919 0.4619 0.066 Uiso 1 1 calc R . .
N621 N 1.1440(4) 0.59532(17) 0.2618(3) 0.0441(18) Uani 1 1 d . . .
N622 N 1.1460(4) 0.61771(17) 0.3075(3) 0.0404(17) Uani 1 1 d . . .
C623 C 1.2179(5) 0.6211(2) 0.3481(4) 0.044(2) Uani 1 1 d . . .
C624 C 1.2617(5) 0.6016(2) 0.3296(5) 0.057(3) Uani 1 1 d . . .
H624 H 1.3141 0.5995 0.3503 0.068 Uiso 1 1 calc R . .
C625 C 1.2129(5) 0.5854(2) 0.2739(5) 0.054(2) Uani 1 1 d . . .
H625 H 1.2258 0.5698 0.2486 0.065 Uiso 1 1 calc R . .
C626 C 1.0724(5) 0.5845(2) 0.2096(4) 0.045(2) Uani 1 1 d . . .
H62A H 1.0356 0.6016 0.2004 0.055 Uiso 1 1 calc R . .
H62B H 1.0790 0.5802 0.1664 0.055 Uiso 1 1 calc R . .
N631 N 0.9299(4) 0.61765(17) 0.7797(3) 0.0469(18) Uani 1 1 d . . .
C632 C 0.9358(4) 0.6214(2) 0.7186(4) 0.041(2) Uani 1 1 d . . .
C633 C 0.9475(5) 0.6505(2) 0.6950(5) 0.056(3) Uani 1 1 d . . .
H633 H 0.9531 0.6524 0.6527 0.067 Uiso 1 1 calc R . .
C634 C 0.9508(6) 0.6764(3) 0.7345(5) 0.064(3) Uani 1 1 d . . .
H634 H 0.9570 0.6967 0.7187 0.077 Uiso 1 1 calc R . .
C635 C 0.9452(6) 0.6733(3) 0.7967(6) 0.069(3) Uani 1 1 d . . .
H635 H 0.9495 0.6910 0.8253 0.083 Uiso 1 1 calc R . .
C636 C 0.9331(5) 0.6434(2) 0.8169(5) 0.057(3) Uani 1 1 d . . .
H636 H 0.9268 0.6412 0.8589 0.068 Uiso 1 1 calc R . .
N641 N 0.9040(4) 0.54340(16) 0.6575(3) 0.0402(17) Uani 1 1 d . . .
N642 N 0.9085(4) 0.56645(17) 0.7042(3) 0.0422(17) Uani 1 1 d . . .
C643 C 0.9287(4) 0.5925(2) 0.6802(4) 0.039(2) Uani 1 1 d . . .
C644 C 0.9385(5) 0.5861(2) 0.6193(4) 0.050(2) Uani 1 1 d . . .
H644 H 0.9531 0.6004 0.5926 0.059 Uiso 1 1 calc R . .
C645 C 0.9227(5) 0.5552(2) 0.6065(4) 0.050(2) Uani 1 1 d . . .
H645 H 0.9243 0.5438 0.5687 0.060 Uiso 1 1 calc R . .
C646 C 0.8782(5) 0.5122(2) 0.6632(4) 0.043(2) Uani 1 1 d . . .
H64A H 0.8589 0.5023 0.6173 0.052 Uiso 1 1 calc R . .
H64B H 0.8365 0.5138 0.6784 0.052 Uiso 1 1 calc R . .
N651 N 0.9094(4) 0.46436(17) 0.7277(3) 0.0398(17) Uani 1 1 d . . .
C652 C 0.9575(5) 0.4439(2) 0.7708(4) 0.041(2) Uani 1 1 d . . .
C653 C 1.0336(5) 0.4495(2) 0.7993(4) 0.044(2) Uani 1 1 d . . .
H653 H 1.0665 0.4345 0.8290 0.053 Uiso 1 1 calc R . .
C654 C 1.0609(5) 0.4772(2) 0.7839(4) 0.043(2) Uani 1 1 d . . .
H654 H 1.1126 0.4814 0.8033 0.051 Uiso 1 1 calc R . .
C655 C 1.0129(4) 0.4980(2) 0.7408(4) 0.042(2) Uani 1 1 d . . .
H655 H 1.0305 0.5171 0.7297 0.050 Uiso 1 1 calc R . .
C656 C 0.9381(5) 0.4911(2) 0.7132(4) 0.037(2) Uani 1 1 d . . .
B11 B 1.0000 0.5000 0.5000 0.0777(16) Uani 1 2 d SU . .
F12 F 1.0298(7) 0.4955(3) 0.5759(6) 0.0778(16) Uani 0.50 1 d PU . .
F13 F 0.9409(7) 0.4931(3) 0.5196(6) 0.0778(16) Uani 0.50 1 d PU . .
F14 F 0.9513(7) 0.5218(3) 0.4846(6) 0.0772(16) Uani 0.50 1 d PU . .
F15 F 0.9642(7) 0.4699(3) 0.4686(6) 0.0780(16) Uani 0.50 1 d PU . .
B21 B 0.6677(6) 0.5155(3) 0.5796(5) 0.0520(7) Uani 1 1 d U . .
F22 F 0.7024(3) 0.52111(12) 0.6494(2) 0.0515(8) Uani 1 1 d U . .
F23 F 0.7192(3) 0.51938(12) 0.5492(2) 0.0527(7) Uani 1 1 d U . .
F24 F 0.6100(3) 0.53642(12) 0.5498(2) 0.0522(8) Uani 1 1 d U . .
F25 F 0.6408(3) 0.48513(12) 0.5690(2) 0.0536(8) Uani 1 1 d U . .
B31 B 0.0370(8) 0.6743(3) 0.5760(7) 0.0769(9) Uani 1 1 d U . .
F32 F -0.0074(3) 0.69931(15) 0.5775(3) 0.0781(10) Uani 1 1 d U . .
F33 F 0.0744(4) 0.68257(15) 0.5344(3) 0.0778(9) Uani 1 1 d U . .
F34 F 0.0870(4) 0.66867(14) 0.6408(3) 0.0783(10) Uani 1 1 d U . .
F35 F -0.0065(3) 0.64889(14) 0.5477(3) 0.0761(10) Uani 1 1 d U . .
B41 B 0.2996(8) 0.5715(4) 0.0974(7) 0.0791(9) Uani 1 1 d U . .
F42 F 0.2382(4) 0.58160(16) 0.0430(3) 0.0808(10) Uani 1 1 d U . .
F43 F 0.3041(3) 0.53893(16) 0.0854(3) 0.0807(10) Uani 1 1 d U . .
F44 F 0.2902(3) 0.57581(16) 0.1578(3) 0.0784(10) Uani 1 1 d U . .
F45 F 0.3624(3) 0.58547(16) 0.0974(3) 0.0786(10) Uani 1 1 d U . .
B51 B 0.7285(7) 0.5546(3) 0.1372(6) 0.0656(8) Uani 1 1 d U . .
F52 F 0.7623(3) 0.55436(13) 0.2086(3) 0.0663(9) Uani 1 1 d U . .
F53 F 0.6874(3) 0.58203(13) 0.1175(3) 0.0658(9) Uani 1 1 d U . .
F54 F 0.7818(3) 0.55424(13) 0.1101(3) 0.0663(8) Uani 1 1 d U . .
F55 F 0.6814(3) 0.52915(13) 0.1142(3) 0.0662(9) Uani 1 1 d U . .
B61X B 0.4803(5) 0.3371(4) 0.3018(5) 0.0923(15) Uiso 0.436(19) 1 d PDU A 1
F62X F 0.4908(8) 0.3280(4) 0.2438(7) 0.0933(16) Uiso 0.436(19) 1 d PDU A 1
F63X F 0.4142(6) 0.3249(5) 0.2998(7) 0.0923(15) Uiso 0.436(19) 1 d PDU A 1
F64X F 0.4781(8) 0.3694(4) 0.3044(8) 0.0918(15) Uiso 0.436(19) 1 d PDU A 1
F65X F 0.5380(7) 0.3261(4) 0.3593(7) 0.0923(15) Uiso 0.436(19) 1 d PDU A 1
B61Y B 0.4799(4) 0.3495(3) 0.3101(4) 0.0921(15) Uiso 0.564(19) 1 d PDU A 2
F62Y F 0.4949(6) 0.3372(3) 0.2567(5) 0.0931(15) Uiso 0.564(19) 1 d PDU A 2
F63Y F 0.4093(4) 0.3408(4) 0.3029(6) 0.0923(15) Uiso 0.564(19) 1 d PDU A 2
F64Y F 0.5308(5) 0.3382(3) 0.3716(5) 0.0921(15) Uiso 0.564(19) 1 d PDU A 2
F65Y F 0.4845(6) 0.3817(3) 0.3092(6) 0.0916(16) Uiso 0.564(19) 1 d PDU A 2
B71X B 0.8385(6) 0.7613(3) 0.6453(6) 0.152(2) Uiso 0.49(2) 1 d PDU B 1
F72X F 0.8527(11) 0.7926(3) 0.6615(11) 0.152(3) Uiso 0.49(2) 1 d PDU B 1
F73X F 0.7628(7) 0.7562(5) 0.6187(11) 0.152(3) Uiso 0.49(2) 1 d PDU B 1
F74X F 0.8717(13) 0.7434(4) 0.7037(7) 0.152(3) Uiso 0.49(2) 1 d PDU B 1
F75X F 0.8666(11) 0.7529(5) 0.5974(9) 0.152(3) Uiso 0.49(2) 1 d PDU B 1
B71Y B 0.8370(6) 0.7638(3) 0.6392(6) 0.152(2) Uiso 0.51(2) 1 d PDU B 2
F72Y F 0.8707(10) 0.7927(3) 0.6455(9) 0.152(3) Uiso 0.51(2) 1 d PDU B 2
F73Y F 0.7650(7) 0.7656(5) 0.5914(10) 0.152(3) Uiso 0.51(2) 1 d PDU B 2
F74Y F 0.8369(13) 0.7549(5) 0.7018(7) 0.152(3) Uiso 0.51(2) 1 d PDU B 2
F75Y F 0.8757(10) 0.7420(4) 0.6182(10) 0.152(3) Uiso 0.51(2) 1 d PDU B 2
B81X B 0.6893(8) 0.6809(4) 0.9990(8) 0.095(3) Uiso 0.22 1 d PDU C 1
F82X F 0.7349(11) 0.7064(4) 1.0256(12) 0.096(3) Uiso 0.22 1 d PDU C 1
F83X F 0.7283(12) 0.6578(5) 0.9820(12) 0.095(3) Uiso 0.22 1 d PDU C 1
F84X F 0.6293(10) 0.6899(6) 0.9411(10) 0.095(3) Uiso 0.22 1 d PDU C 1
F85X F 0.6646(13) 0.6695(6) 1.0472(11) 0.095(3) Uiso 0.22 1 d PDU C 1
B81Y B 0.5877(11) 0.6861(5) 1.0316(11) 0.096(3) Uiso 0.14 1 d PDU D 2
F82Y F 0.5895(18) 0.6905(8) 0.9678(12) 0.095(3) Uiso 0.14 1 d PDU D 2
F83Y F 0.6089(19) 0.7133(6) 1.0693(16) 0.096(3) Uiso 0.14 1 d PDU D 2
F84Y F 0.6357(17) 0.6622(7) 1.0653(17) 0.095(3) Uiso 0.14 1 d PDU D 2
F85Y F 0.5166(13) 0.6782(8) 1.0241(19) 0.096(3) Uiso 0.14 1 d PDU D 2
B81Z B 0.4633(11) 0.6944(5) 0.9863(11) 0.095(3) Uiso 0.14 1 d PDU E 3
F82Z F 0.4460(18) 0.7235(6) 1.0043(17) 0.095(3) Uiso 0.14 1 d PDU E 3
F83Z F 0.4189(17) 0.6883(8) 0.9185(12) 0.095(3) Uiso 0.14 1 d PDU E 3
F84Z F 0.451(2) 0.6718(7) 1.0275(17) 0.096(3) Uiso 0.14 1 d PDU E 3
F85Z F 0.5369(12) 0.6939(9) 0.9948(19) 0.096(3) Uiso 0.14 1 d PDU E 3
B91W B 0.8366(13) 0.7486(6) -0.0921(13) 0.122(3) Uiso 0.14 1 d PDU F 1
F92W F 0.7644(14) 0.7561(9) -0.103(2) 0.122(3) Uiso 0.14 1 d PDU F 1
F93W F 0.878(2) 0.7757(8) -0.082(2) 0.122(3) Uiso 0.14 1 d PDU F 1
F94W F 0.838(2) 0.7331(10) -0.1488(18) 0.122(3) Uiso 0.14 1 d PDU F 1
F95W F 0.866(2) 0.7295(9) -0.0352(18) 0.122(3) Uiso 0.14 1 d PDU F 1
B91X B 1.1020(5) 0.6340(2) 0.0592(5) 0.121(2) Uiso 0.44 1 d PDU G 2
F92X F 1.1052(8) 0.6025(2) 0.0749(8) 0.121(2) Uiso 0.44 1 d PDU G 2
F93X F 1.0851(8) 0.6376(4) -0.0100(5) 0.121(2) Uiso 0.44 1 d PDU G 2
F94X F 1.0478(7) 0.6482(3) 0.0757(8) 0.121(2) Uiso 0.44 1 d PDU G 2
F95X F 1.1698(6) 0.6477(3) 0.0962(7) 0.122(2) Uiso 0.44 1 d PDU G 2
B91Y B 0.9324(12) 0.6865(5) -0.0261(12) 0.121(2) Uiso 0.17 1 d PDU H 3
F92Y F 0.9533(19) 0.6987(8) 0.0391(12) 0.120(2) Uiso 0.17 1 d PDU H 3
F93Y F 0.9947(15) 0.6816(8) -0.0401(19) 0.121(2) Uiso 0.17 1 d PDU H 3
F94Y F 0.8856(17) 0.7072(8) -0.0732(15) 0.122(3) Uiso 0.17 1 d PDU H 3
F95Y F 0.8962(19) 0.6583(7) -0.030(2) 0.120(2) Uiso 0.17 1 d PDU H 3
B91Z B 0.9911(9) 0.6664(4) 0.0239(9) 0.121(2) Uiso 0.25 1 d PDU I 4
F92Z F 0.9210(10) 0.6581(6) -0.0218(12) 0.120(2) Uiso 0.25 1 d PDU I 4
F93Z F 0.9886(14) 0.6959(5) 0.0499(13) 0.120(2) Uiso 0.25 1 d PDU I 4
F94Z F 1.0155(14) 0.6450(6) 0.0770(12) 0.121(2) Uiso 0.25 1 d PDU I 4
F95Z F 1.0391(13) 0.6667(6) -0.0094(13) 0.121(2) Uiso 0.25 1 d PDU I 4
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
_geom_angle_publ_flag
N211 Co1 N311 94.4(3) . . ?
N211 Co1 N111 94.2(3) . . ?
N311 Co1 N111 94.1(3) . . ?
N211 Co1 N222 76.5(3) . . ?
N311 Co1 N222 170.6(3) . . ?
N111 Co1 N222 89.0(3) . . ?
N211 Co1 N322 89.5(3) . . ?
N311 Co1 N322 76.6(3) . . ?
N111 Co1 N322 170.2(3) . . ?
N222 Co1 N322 100.7(3) . . ?
N211 Co1 N122 171.1(3) . . ?
N311 Co1 N122 87.2(3) . . ?
N111 Co1 N122 76.9(3) . . ?
N222 Co1 N122 102.1(3) . . ?
N322 Co1 N122 99.4(3) . . ?
N511 Co2 N411 178.5(3) . . ?
N511 Co2 N522 78.0(2) . . ?
N411 Co2 N522 101.3(2) . . ?
N511 Co2 N422 101.0(2) . . ?
N411 Co2 N422 77.7(2) . . ?
N522 Co2 N422 94.3(2) . . ?
N511 Co2 N142 88.0(2) . . ?
N411 Co2 N142 93.4(2) . . ?
N522 Co2 N142 100.0(3) . . ?
N422 Co2 N142 164.5(3) . . ?
N511 Co2 N131 97.3(3) . . ?
N411 Co2 N131 83.6(2) . . ?
N522 Co2 N131 173.7(2) . . ?
N422 Co2 N131 90.6(3) . . ?
N142 Co2 N131 75.6(3) . . ?
N342 Co3 N431 89.6(3) . . ?
N342 Co3 N442 101.7(3) . . ?
N431 Co3 N442 77.4(2) . . ?
N342 Co3 N622 162.3(3) . . ?
N431 Co3 N622 102.9(3) . . ?
N442 Co3 N622 93.4(2) . . ?
N342 Co3 N331 75.8(3) . . ?
N431 Co3 N331 94.2(2) . . ?
N442 Co3 N331 171.4(2) . . ?
N622 Co3 N331 90.6(2) . . ?
N342 Co3 N611 91.6(3) . . ?
N431 Co3 N611 178.5(3) . . ?
N442 Co3 N611 101.4(2) . . ?
N622 Co3 N611 76.2(3) . . ?
N331 Co3 N611 87.0(2) . . ?
N631 Co4 N642 77.6(3) . . ?
N631 Co4 N542 101.7(3) . . ?
N642 Co4 N542 94.0(2) . . ?
N631 Co4 N531 178.1(3) . . ?
N642 Co4 N531 102.1(3) . . ?
N542 Co4 N531 76.5(3) . . ?
N631 Co4 N242 91.0(3) . . ?
N642 Co4 N242 100.6(3) . . ?
N542 Co4 N242 162.4(2) . . ?
N531 Co4 N242 90.8(3) . . ?
N631 Co4 N231 97.5(3) . . ?
N642 Co4 N231 173.7(3) . . ?
N542 Co4 N231 90.8(2) . . ?
N531 Co4 N231 82.9(2) . . ?
N242 Co4 N231 75.3(3) . . ?
C112 N111 C116 118.3(8) . . ?
C112 N111 Co1 115.1(6) . . ?
C116 N111 Co1 126.6(6) . . ?
N111 C112 C113 121.6(9) . . ?
N111 C112 C123 115.8(7) . . ?
C113 C112 C123 122.6(9) . . ?
C114 C113 C112 118.3(10) . . ?
C114 C113 H113 120.8 . . ?
C112 C113 H113 120.8 . . ?
C115 C114 C113 119.8(10) . . ?
C115 C114 H114 120.1 . . ?
C113 C114 H114 120.1 . . ?
C116 C115 C114 119.0(11) . . ?
C116 C115 H115 120.5 . . ?
C114 C115 H115 120.5 . . ?
N111 C116 C115 122.8(10) . . ?
N111 C116 H116 118.6 . . ?
C115 C116 H116 118.6 . . ?
N122 N121 C125 112.1(7) . . ?
N122 N121 C126 121.0(7) . . ?
C125 N121 C126 126.5(8) . . ?
N121 N122 C123 105.7(7) . . ?
N121 N122 Co1 139.1(5) . . ?
C123 N122 Co1 111.7(6) . . ?
N122 C123 C124 110.2(8) . . ?
N122 C123 C112 118.1(8) . . ?
C124 C123 C112 131.8(8) . . ?
C123 C124 C125 105.9(8) . . ?
C123 C124 H124 127.1 . . ?
C125 C124 H124 127.1 . . ?
N121 C125 C124 106.1(8) . . ?
N121 C125 H125 127.0 . . ?
C124 C125 H125 127.0 . . ?
N121 C126 C152 113.5(7) . . ?
N121 C126 H12A 108.9 . . ?
C152 C126 H12A 108.9 . . ?
N121 C126 H12B 108.9 . . ?
C152 C126 H12B 108.9 . . ?
H12A C126 H12B 107.7 . . ?
C136 N131 C132 118.0(7) . . ?
C136 N131 Co2 126.6(6) . . ?
C132 N131 Co2 113.9(6) . . ?
N131 C132 C133 120.7(9) . . ?
N131 C132 C143 114.9(7) . . ?
C133 C132 C143 124.3(8) . . ?
C134 C133 C132 121.3(9) . . ?
C134 C133 H133 119.4 . . ?
C132 C133 H133 119.4 . . ?
C133 C134 C135 118.4(9) . . ?
C133 C134 H134 120.8 . . ?
C135 C134 H134 120.8 . . ?
C136 C135 C134 118.7(10) . . ?
C136 C135 H135 120.6 . . ?
C134 C135 H135 120.6 . . ?
N131 C136 C135 122.9(9) . . ?
N131 C136 H136 118.5 . . ?
C135 C136 H136 118.5 . . ?
C145 N141 N142 109.6(7) . . ?
C145 N141 C146 129.3(8) . . ?
N142 N141 C146 120.5(7) . . ?
C143 N142 N141 105.7(6) . . ?
C143 N142 Co2 114.3(6) . . ?
N141 N142 Co2 139.2(5) . . ?
N142 C143 C144 111.1(8) . . ?
N142 C143 C132 118.5(7) . . ?
C144 C143 C132 130.5(8) . . ?
C145 C144 C143 103.3(8) . . ?
C145 C144 H144 128.3 . . ?
C143 C144 H144 128.3 . . ?
N141 C145 C144 110.2(9) . . ?
N141 C145 H145 124.9 . . ?
C144 C145 H145 124.9 . . ?
N141 C146 C156 113.2(7) . . ?
N141 C146 H14A 108.9 . . ?
C156 C146 H14A 108.9 . . ?
N141 C146 H14B 108.9 . . ?
C156 C146 H14B 108.9 . . ?
H14A C146 H14B 107.8 . . ?
C152 N151 C156 116.8(7) . . ?
N151 C152 C153 123.7(8) . . ?
N151 C152 C126 112.3(7) . . ?
C153 C152 C126 123.8(8) . . ?
C152 C153 C154 118.5(8) . . ?
C152 C153 H153 120.8 . . ?
C154 C153 H153 120.8 . . ?
C153 C154 C155 119.2(9) . . ?
C153 C154 H154 120.4 . . ?
C155 C154 H154 120.4 . . ?
C156 C155 C154 118.2(9) . . ?
C156 C155 H155 120.9 . . ?
C154 C155 H155 120.9 . . ?
C155 C156 N151 123.6(8) . . ?
C155 C156 C146 123.1(8) . . ?
N151 C156 C146 113.2(7) . . ?
C212 N211 C216 116.8(8) . . ?
C212 N211 Co1 116.5(6) . . ?
C216 N211 Co1 126.7(7) . . ?
N211 C212 C213 122.9(9) . . ?
N211 C212 C223 114.3(8) . . ?
C213 C212 C223 122.8(10) . . ?
C214 C213 C212 118.7(11) . . ?
C214 C213 H213 120.7 . . ?
C212 C213 H213 120.7 . . ?
C213 C214 C215 120.0(10) . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C216 C215 C214 117.6(10) . . ?
C216 C215 H215 121.2 . . ?
C214 C215 H215 121.2 . . ?
N211 C216 C215 123.9(10) . . ?
N211 C216 H216 118.0 . . ?
C215 C216 H216 118.0 . . ?
C225 N221 N222 111.5(7) . . ?
C225 N221 C226 127.5(8) . . ?
N222 N221 C226 120.8(7) . . ?
N221 N222 C223 105.1(7) . . ?
N221 N222 Co1 138.3(5) . . ?
C223 N222 Co1 112.5(6) . . ?
N222 C223 C224 110.1(8) . . ?
N222 C223 C212 117.5(9) . . ?
C224 C223 C212 132.4(9) . . ?
C225 C224 C223 106.7(9) . . ?
C225 C224 H224 126.6 . . ?
C223 C224 H224 126.6 . . ?
N221 C225 C224 106.6(8) . . ?
N221 C225 H225 126.7 . . ?
C224 C225 H225 126.7 . . ?
N221 C226 C252 114.1(7) . . ?
N221 C226 H22A 108.7 . . ?
C252 C226 H22A 108.7 . . ?
N221 C226 H22B 108.7 . . ?
C252 C226 H22B 108.7 . . ?
H22A C226 H22B 107.6 . . ?
C236 N231 C232 117.8(7) . . ?
C236 N231 Co4 126.6(6) . . ?
C232 N231 Co4 114.8(5) . . ?
N231 C232 C233 123.0(9) . . ?
N231 C232 C243 114.8(7) . . ?
C233 C232 C243 122.1(9) . . ?
C232 C233 C234 119.0(10) . . ?
C232 C233 H233 120.5 . . ?
C234 C233 H233 120.5 . . ?
C235 C234 C233 118.7(9) . . ?
C235 C234 H234 120.7 . . ?
C233 C234 H234 120.7 . . ?
C234 C235 C236 118.6(10) . . ?
C234 C235 H235 120.7 . . ?
C236 C235 H235 120.7 . . ?
N231 C236 C235 122.8(9) . . ?
N231 C236 H236 118.6 . . ?
C235 C236 H236 118.6 . . ?
C245 N241 N242 111.1(7) . . ?
C245 N241 C246 128.3(8) . . ?
N242 N241 C246 119.9(7) . . ?
C243 N242 N241 105.7(7) . . ?
C243 N242 Co4 114.5(6) . . ?
N241 N242 Co4 139.1(5) . . ?
N242 C243 C244 109.9(8) . . ?
N242 C243 C232 118.2(8) . . ?
C244 C243 C232 131.9(8) . . ?
C245 C244 C243 105.2(8) . . ?
C245 C244 H244 127.4 . . ?
C243 C244 H244 127.4 . . ?
N241 C245 C244 107.8(8) . . ?
N241 C245 H245 126.1 . . ?
C244 C245 H245 126.1 . . ?
N241 C246 C256 110.7(7) . . ?
N241 C246 H24A 109.5 . . ?
C256 C246 H24A 109.5 . . ?
N241 C246 H24B 109.5 . . ?
C256 C246 H24B 109.5 . . ?
H24A C246 H24B 108.1 . . ?
C252 N251 C256 116.7(7) . . ?
N251 C252 C253 124.5(8) . . ?
N251 C252 C226 113.1(8) . . ?
C253 C252 C226 122.3(8) . . ?
C252 C253 C254 116.1(9) . . ?
C252 C253 H253 122.0 . . ?
C254 C253 H253 122.0 . . ?
C255 C254 C253 121.5(9) . . ?
C255 C254 H254 119.2 . . ?
C253 C254 H254 119.2 . . ?
C254 C255 C256 116.9(8) . . ?
C254 C255 H255 121.6 . . ?
C256 C255 H255 121.6 . . ?
N251 C256 C255 124.2(8) . . ?
N251 C256 C246 110.9(8) . . ?
C255 C256 C246 125.0(8) . . ?
C316 N311 C312 117.0(8) . . ?
C316 N311 Co1 127.2(6) . . ?
C312 N311 Co1 115.8(6) . . ?
C313 C312 N311 121.6(8) . . ?
C313 C312 C323 125.4(8) . . ?
N311 C312 C323 113.0(8) . . ?
C314 C313 C312 121.8(9) . . ?
C314 C313 H313 119.1 . . ?
C312 C313 H313 119.1 . . ?
C313 C314 C315 117.2(9) . . ?
C313 C314 H314 121.4 . . ?
C315 C314 H314 121.4 . . ?
C316 C315 C314 118.9(9) . . ?
C316 C315 H315 120.5 . . ?
C314 C315 H315 120.5 . . ?
N311 C316 C315 123.5(9) . . ?
N311 C316 H316 118.3 . . ?
C315 C316 H316 118.3 . . ?
C325 N321 N322 111.6(8) . . ?
C325 N321 C326 127.2(8) . . ?
N322 N321 C326 120.9(7) . . ?
C323 N322 N321 104.8(7) . . ?
C323 N322 Co1 112.9(5) . . ?
N321 N322 Co1 138.1(6) . . ?
N322 C323 C324 111.2(8) . . ?
N322 C323 C312 119.0(7) . . ?
C324 C323 C312 129.8(8) . . ?
C325 C324 C323 105.5(8) . . ?
C325 C324 H324 127.3 . . ?
C323 C324 H324 127.3 . . ?
N321 C325 C324 106.9(8) . . ?
N321 C325 H325 126.5 . . ?
C324 C325 H325 126.5 . . ?
N321 C326 C352 113.7(7) . . ?
N321 C326 H32A 108.8 . . ?
C352 C326 H32A 108.8 . . ?
N321 C326 H32B 108.8 . . ?
C352 C326 H32B 108.8 . . ?
H32A C326 H32B 107.7 . . ?
C332 N331 C336 120.0 . . ?
C332 N331 Co3 114.0(3) . . ?
C336 N331 Co3 125.8(3) . . ?
C333 C332 N331 120.0 . . ?
C333 C332 C343 125.5(6) . . ?
N331 C332 C343 114.3(6) . . ?
C332 C333 C334 120.0 . . ?
C332 C333 H333 120.0 . . ?
C334 C333 H333 120.0 . . ?
C335 C334 C333 120.0 . . ?
C335 C334 H334 120.0 . . ?
C333 C334 H334 120.0 . . ?
C334 C335 C336 120.0 . . ?
C334 C335 H335 120.0 . . ?
C336 C335 H335 120.0 . . ?
C335 C336 N331 120.0 . . ?
C335 C336 H336 120.0 . . ?
N331 C336 H336 120.0 . . ?
C345 N341 N342 110.9(9) . . ?
C345 N341 C346 128.6(9) . . ?
N342 N341 C346 119.2(8) . . ?
C343 N342 N341 104.9(8) . . ?
C343 N342 Co3 114.7(6) . . ?
N341 N342 Co3 137.4(6) . . ?
N342 C343 C344 111.4(10) . . ?
N342 C343 C332 118.0(9) . . ?
C344 C343 C332 130.6(10) . . ?
C345 C344 C343 104.4(11) . . ?
C345 C344 H344 127.8 . . ?
C343 C344 H344 127.8 . . ?
N341 C345 C344 108.4(10) . . ?
N341 C345 H345 125.8 . . ?
C344 C345 H345 125.8 . . ?
N341 C346 C356 112.7(9) . . ?
N341 C346 H34A 109.1 . . ?
C356 C346 H34A 109.1 . . ?
N341 C346 H34B 109.1 . . ?
C356 C346 H34B 109.1 . . ?
H34A C346 H34B 107.8 . . ?
C356 N351 C352 117.0(8) . . ?
N351 C352 C353 123.3(8) . . ?
N351 C352 C326 112.5(8) . . ?
C353 C352 C326 124.2(9) . . ?
C352 C353 C354 118.3(9) . . ?
C352 C353 H353 120.8 . . ?
C354 C353 H353 120.8 . . ?
C355 C354 C353 119.7(10) . . ?
C355 C354 H354 120.1 . . ?
C353 C354 H354 120.1 . . ?
C354 C355 C356 118.2(10) . . ?
C354 C355 H355 120.9 . . ?
C356 C355 H355 120.9 . . ?
N351 C356 C355 123.4(9) . . ?
N351 C356 C346 112.9(9) . . ?
C355 C356 C346 123.7(10) . . ?
C412 N411 C416 117.9(7) . . ?
C412 N411 Co2 114.0(5) . . ?
C416 N411 Co2 126.9(5) . . ?
N411 C412 C413 122.1(8) . . ?
N411 C412 C423 115.9(7) . . ?
C413 C412 C423 122.0(8) . . ?
C414 C413 C412 118.1(8) . . ?
C414 C413 H413 121.0 . . ?
C412 C413 H413 121.0 . . ?
C415 C414 C413 120.7(8) . . ?
C415 C414 H414 119.7 . . ?
C413 C414 H414 119.7 . . ?
C414 C415 C416 117.8(8) . . ?
C414 C415 H415 121.1 . . ?
C416 C415 H415 121.1 . . ?
N411 C416 C415 123.3(8) . . ?
N411 C416 H416 118.4 . . ?
C415 C416 H416 118.4 . . ?
C425 N421 N422 111.4(7) . . ?
C425 N421 C426 126.9(7) . . ?
N422 N421 C426 121.5(7) . . ?
C423 N422 N421 104.7(7) . . ?
C423 N422 Co2 112.1(5) . . ?
N421 N422 Co2 141.9(5) . . ?
N422 C423 C424 110.2(7) . . ?
N422 C423 C412 117.7(8) . . ?
C424 C423 C412 132.1(8) . . ?
C425 C424 C423 105.0(8) . . ?
C425 C424 H424 127.5 . . ?
C423 C424 H424 127.5 . . ?
N421 C425 C424 108.7(8) . . ?
N421 C425 H425 125.6 . . ?
C424 C425 H425 125.6 . . ?
N421 C426 C452 113.7(7) . . ?
N421 C426 H42A 108.8 . . ?
C452 C426 H42A 108.8 . . ?
N421 C426 H42B 108.8 . . ?
C452 C426 H42B 108.8 . . ?
H42A C426 H42B 107.7 . . ?
C436 N431 C432 118.3(7) . . ?
C436 N431 Co3 126.1(6) . . ?
C432 N431 Co3 115.3(5) . . ?
N431 C432 C433 121.6(7) . . ?
N431 C432 C443 115.4(7) . . ?
C433 C432 C443 123.0(7) . . ?
C432 C433 C434 119.0(8) . . ?
C432 C433 H433 120.5 . . ?
C434 C433 H433 120.5 . . ?
C435 C434 C433 119.0(8) . . ?
C435 C434 H434 120.5 . . ?
C433 C434 H434 120.5 . . ?
C436 C435 C434 118.4(8) . . ?
C436 C435 H435 120.8 . . ?
C434 C435 H435 120.8 . . ?
N431 C436 C435 123.7(9) . . ?
N431 C436 H436 118.1 . . ?
C435 C436 H436 118.1 . . ?
C445 N441 N442 111.2(7) . . ?
C445 N441 C446 127.3(7) . . ?
N442 N441 C446 121.5(7) . . ?
C443 N442 N441 104.4(6) . . ?
C443 N442 Co3 113.2(5) . . ?
N441 N442 Co3 141.6(5) . . ?
N442 C443 C444 110.8(7) . . ?
N442 C443 C432 117.7(7) . . ?
C444 C443 C432 131.5(8) . . ?
C445 C444 C443 105.1(8) . . ?
C445 C444 H444 127.5 . . ?
C443 C444 H444 127.5 . . ?
N441 C445 C444 108.5(8) . . ?
N441 C445 H445 125.7 . . ?
C444 C445 H445 125.7 . . ?
N441 C446 C456 114.4(7) . . ?
N441 C446 H44A 108.7 . . ?
C456 C446 H44A 108.7 . . ?
N441 C446 H44B 108.7 . . ?
C456 C446 H44B 108.7 . . ?
H44A C446 H44B 107.6 . . ?
C452 N451 C456 118.8(7) 3_766 . ?
N451 C452 C453 123.3(8) 3_766 . ?
N451 C452 C426 117.7(7) 3_766 . ?
C453 C452 C426 118.9(8) . . ?
C454 C453 C452 118.5(8) . . ?
C454 C453 H453 120.8 . . ?
C452 C453 H453 120.8 . . ?
C453 C454 C455 118.9(9) . 3_766 ?
C453 C454 H454 120.6 . . ?
C455 C454 H454 120.6 3_766 . ?
C456 C455 C454 119.0(9) . 3_766 ?
C456 C455 H455 120.5 . . ?
C454 C455 H455 120.5 3_766 . ?
N451 C456 C455 121.5(8) . . ?
N451 C456 C446 114.3(7) . . ?
C455 C456 C446 124.2(8) . . ?
C516 N511 C512 118.8(7) . . ?
C516 N511 Co2 126.2(5) . . ?
C512 N511 Co2 115.0(5) . . ?
N511 C512 C513 121.8(7) . . ?
N511 C512 C523 115.6(7) . . ?
C513 C512 C523 122.5(7) . . ?
C514 C513 C512 117.4(7) . . ?
C514 C513 H513 121.3 . . ?
C512 C513 H513 121.3 . . ?
C515 C514 C513 120.1(7) . . ?
C515 C514 H514 119.9 . . ?
C513 C514 H514 119.9 . . ?
C516 C515 C514 118.5(8) . . ?
C516 C515 H515 120.8 . . ?
C514 C515 H515 120.8 . . ?
N511 C516 C515 123.3(8) . . ?
N511 C516 H516 118.3 . . ?
C515 C516 H516 118.3 . . ?
C525 N521 N522 110.7(6) . . ?
C525 N521 C526 127.3(7) . . ?
N522 N521 C526 121.9(6) . . ?
C523 N522 N521 104.4(6) . . ?
C523 N522 Co2 113.5(5) . . ?
N521 N522 Co2 140.8(5) . . ?
N522 C523 C524 111.7(7) . . ?
N522 C523 C512 117.0(7) . . ?
C524 C523 C512 131.3(7) . . ?
C523 C524 C525 105.3(7) . . ?
C523 C524 H524 127.4 . . ?
C525 C524 H524 127.4 . . ?
N521 C525 C524 107.9(8) . . ?
N521 C525 H525 126.0 . . ?
C524 C525 H525 126.0 . . ?
N521 C526 C552 114.7(7) . . ?
N521 C526 H52A 108.6 . . ?
C552 C526 H52A 108.6 . . ?
N521 C526 H52B 108.6 . . ?
C552 C526 H52B 108.6 . . ?
H52A C526 H52B 107.6 . . ?
C532 N531 C536 118.5(7) . . ?
C532 N531 Co4 114.2(6) . . ?
C536 N531 Co4 125.5(6) . . ?
N531 C532 C533 121.9(8) . . ?
N531 C532 C543 116.1(7) . . ?
C533 C532 C543 122.0(8) . . ?
C534 C533 C532 119.2(9) . . ?
C534 C533 H533 120.4 . . ?
C532 C533 H533 120.4 . . ?
C533 C534 C535 118.9(9) . . ?
C533 C534 H534 120.5 . . ?
C535 C534 H534 120.5 . . ?
C534 C535 C536 119.8(9) . . ?
C534 C535 H535 120.1 . . ?
C536 C535 H535 120.1 . . ?
N531 C536 C535 121.6(8) . . ?
N531 C536 H536 119.2 . . ?
C535 C536 H536 119.2 . . ?
C545 N541 N542 110.3(8) . . ?
C545 N541 C546 126.7(8) . . ?
N542 N541 C546 122.8(7) . . ?
C543 N542 N541 105.7(7) . . ?
C543 N542 Co4 113.5(5) . . ?
N541 N542 Co4 139.9(6) . . ?
N542 C543 C544 110.8(8) . . ?
N542 C543 C532 116.9(7) . . ?
C544 C543 C532 132.3(9) . . ?
C545 C544 C543 104.4(8) . . ?
C545 C544 H544 127.8 . . ?
C543 C544 H544 127.8 . . ?
N541 C545 C544 108.8(8) . . ?
N541 C545 H545 125.6 . . ?
C544 C545 H545 125.6 . . ?
N541 C546 C556 114.1(7) . . ?
N541 C546 H54A 108.7 . . ?
C556 C546 H54A 108.7 . . ?
N541 C546 H54B 108.7 . . ?
C556 C546 H54B 108.7 . . ?
H54A C546 H54B 107.6 . . ?
C556 N551 C552 117.4(7) 3_766 . ?
N551 C552 C553 121.9(8) . . ?
N551 C552 C526 113.9(7) . . ?
C553 C552 C526 124.2(7) . . ?
C554 C553 C552 120.4(8) 3_766 . ?
C554 C553 H553 119.8 3_766 . ?
C552 C553 H553 119.8 . . ?
C553 C554 C555 118.4(9) 3_766 . ?
C553 C554 H554 120.8 3_766 . ?
C555 C554 H554 120.8 . . ?
C556 C555 C554 118.7(9) . . ?
C556 C555 H555 120.7 . . ?
C554 C555 H555 120.7 . . ?
N551 C556 C555 123.3(8) 3_766 . ?
N551 C556 C546 116.3(8) 3_766 . ?
C555 C556 C546 120.3(9) . . ?
C612 N611 C616 117.9(8) . . ?
C612 N611 Co3 114.6(5) . . ?
C616 N611 Co3 126.4(6) . . ?
N611 C612 C613 121.2(8) . . ?
N611 C612 C623 115.5(7) . . ?
C613 C612 C623 123.2(8) . . ?
C614 C613 C612 120.1(9) . . ?
C614 C613 H613 120.0 . . ?
C612 C613 H613 120.0 . . ?
C613 C614 C615 119.0(9) . . ?
C613 C614 H614 120.5 . . ?
C615 C614 H614 120.5 . . ?
C616 C615 C614 118.6(9) . . ?
C616 C615 H615 120.7 . . ?
C614 C615 H615 120.7 . . ?
N611 C616 C615 123.2(9) . . ?
N611 C616 H616 118.4 . . ?
C615 C616 H616 118.4 . . ?
C625 N621 N622 110.0(7) . . ?
C625 N621 C626 129.3(7) . . ?
N622 N621 C626 120.7(7) . . ?
C623 N622 N621 105.3(7) . . ?
C623 N622 Co3 114.0(6) . . ?
N621 N622 Co3 139.3(5) . . ?
N622 C623 C624 111.8(8) . . ?
N622 C623 C612 117.4(7) . . ?
C624 C623 C612 130.8(8) . . ?
C623 C624 C625 104.5(8) . . ?
C623 C624 H624 127.8 . . ?
C625 C624 H624 127.8 . . ?
N621 C625 C624 108.4(8) . . ?
N621 C625 H625 125.8 . . ?
C624 C625 H625 125.8 . . ?
C652 C626 N621 114.3(7) 3_766 . ?
C652 C626 H62A 108.7 3_766 . ?
N621 C626 H62A 108.7 . . ?
C652 C626 H62B 108.7 3_766 . ?
N621 C626 H62B 108.7 . . ?
H62A C626 H62B 107.6 . . ?
C636 N631 C632 117.6(8) . . ?
C636 N631 Co4 125.9(6) . . ?
C632 N631 Co4 116.1(6) . . ?
N631 C632 C633 122.5(8) . . ?
N631 C632 C643 114.2(7) . . ?
C633 C632 C643 123.2(8) . . ?
C634 C633 C632 118.4(9) . . ?
C634 C633 H633 120.8 . . ?
C632 C633 H633 120.8 . . ?
C635 C634 C633 120.3(10) . . ?
C635 C634 H634 119.9 . . ?
C633 C634 H634 119.9 . . ?
C634 C635 C636 118.1(10) . . ?
C634 C635 H635 120.9 . . ?
C636 C635 H635 120.9 . . ?
N631 C636 C635 122.9(9) . . ?
N631 C636 H636 118.5 . . ?
C635 C636 H636 118.5 . . ?
C645 N641 N642 110.1(7) . . ?
C645 N641 C646 128.2(7) . . ?
N642 N641 C646 121.6(6) . . ?
C643 N642 N641 105.3(6) . . ?
C643 N642 Co4 113.8(5) . . ?
N641 N642 Co4 140.5(5) . . ?
N642 C643 C644 110.7(8) . . ?
N642 C643 C632 117.8(7) . . ?
C644 C643 C632 131.6(8) . . ?
C645 C644 C643 105.7(8) . . ?
C645 C644 H644 127.1 . . ?
C643 C644 H644 127.1 . . ?
C644 C645 N641 108.2(8) . . ?
C644 C645 H645 125.9 . . ?
N641 C645 H645 125.9 . . ?
N641 C646 C656 113.6(7) . . ?
N641 C646 H64A 108.8 . . ?
C656 C646 H64A 108.8 . . ?
N641 C646 H64B 108.8 . . ?
C656 C646 H64B 108.8 . . ?
H64A C646 H64B 107.7 . . ?
C652 N651 C656 117.2(7) . . ?
N651 C652 C653 121.9(8) . . ?
N651 C652 C626 118.3(8) . 3_766 ?
C653 C652 C626 119.8(8) . 3_766 ?
C654 C653 C652 119.4(8) . . ?
C654 C653 H653 120.3 . . ?
C652 C653 H653 120.3 . . ?
C655 C654 C653 119.2(8) . . ?
C655 C654 H654 120.4 . . ?
C653 C654 H654 120.4 . . ?
C654 C655 C656 119.1(8) . . ?
C654 C655 H655 120.4 . . ?
C656 C655 H655 120.4 . . ?
N651 C656 C655 123.2(8) . . ?
N651 C656 C646 112.2(7) . . ?
C655 C656 C646 124.6(8) . . ?
F14 B11 F14 180.0(8) 3_766 . ?
F14 B11 F13 113.0(7) 3_766 . ?
F14 B11 F13 67.0(7) . . ?
F14 B11 F13 67.0(7) 3_766 3_766 ?
F14 B11 F13 113.0(7) . 3_766 ?
F13 B11 F13 179.997(4) . 3_766 ?
F14 B11 F15 109.8(7) 3_766 3_766 ?
F14 B11 F15 70.2(7) . 3_766 ?
F13 B11 F15 110.3(7) . 3_766 ?
F13 B11 F15 69.7(7) 3_766 3_766 ?
F14 B11 F15 70.2(7) 3_766 . ?
F14 B11 F15 109.8(7) . . ?
F13 B11 F15 69.7(7) . . ?
F13 B11 F15 110.3(7) 3_766 . ?
F15 B11 F15 179.996(4) 3_766 . ?
F14 B11 F12 72.2(7) 3_766 . ?
F14 B11 F12 107.8(7) . . ?
F13 B11 F12 71.0(7) . . ?
F13 B11 F12 109.0(7) 3_766 . ?
F15 B11 F12 73.3(7) 3_766 . ?
F15 B11 F12 106.7(7) . . ?
F14 B11 F12 107.8(7) 3_766 3_766 ?
F14 B11 F12 72.2(7) . 3_766 ?
F13 B11 F12 109.0(7) . 3_766 ?
F13 B11 F12 71.0(7) 3_766 3_766 ?
F15 B11 F12 106.7(7) 3_766 3_766 ?
F15 B11 F12 73.3(7) . 3_766 ?
F12 B11 F12 179.997(3) . 3_766 ?
B11 F12 F14 47.8(6) . 3_766 ?
B11 F12 F13 52.1(6) . . ?
F14 F12 F13 84.6(8) 3_766 . ?
B11 F12 F15 53.2(6) . 3_766 ?
F14 F12 F15 82.9(8) 3_766 3_766 ?
F13 F12 F15 86.5(8) . 3_766 ?
B11 F13 F14 52.4(6) . . ?
B11 F13 F15 57.5(6) . . ?
F14 F13 F15 92.2(9) . . ?
B11 F13 F12 56.9(6) . . ?
F14 F13 F12 89.8(9) . . ?
F15 F13 F12 91.4(8) . . ?
B11 F14 F13 60.6(7) . . ?
B11 F14 F15 61.0(7) . 3_766 ?
F13 F14 F15 100.6(10) . 3_766 ?
B11 F14 F12 60.0(6) . 3_766 ?
F13 F14 F12 97.9(10) . 3_766 ?
F15 F14 F12 95.1(9) 3_766 3_766 ?
B11 F15 F14 48.7(6) . 3_766 ?
B11 F15 F13 52.8(6) . . ?
F14 F15 F13 86.9(8) 3_766 . ?
B11 F15 F12 53.5(6) . 3_766 ?
F14 F15 F12 83.0(8) 3_766 3_766 ?
F13 F15 F12 86.8(8) . 3_766 ?
F24 B21 F25 109.8(8) . . ?
F24 B21 F22 110.4(8) . . ?
F25 B21 F22 109.4(8) . . ?
F24 B21 F23 108.6(8) . . ?
F25 B21 F23 109.4(8) . . ?
F22 B21 F23 109.3(8) . . ?
F34 B31 F35 112.4(11) . . ?
F34 B31 F32 109.0(10) . . ?
F35 B31 F32 109.5(11) . . ?
F34 B31 F33 109.5(11) . . ?
F35 B31 F33 108.3(10) . . ?
F32 B31 F33 108.1(11) . . ?
F45 B41 F42 111.0(11) . . ?
F45 B41 F44 113.0(11) . . ?
F42 B41 F44 110.4(11) . . ?
F45 B41 F43 107.9(11) . . ?
F42 B41 F43 104.5(10) . . ?
F44 B41 F43 109.6(11) . . ?
F54 B51 F55 110.7(10) . . ?
F54 B51 F53 109.2(10) . . ?
F55 B51 F53 109.1(10) . . ?
F54 B51 F52 109.8(10) . . ?
F55 B51 F52 110.1(9) . . ?
F53 B51 F52 107.8(9) . . ?
F63X B61X F64X 109.52(16) . . ?
F63X B61X F65X 109.47(16) . . ?
F64X B61X F65X 109.47(16) . . ?
F63X B61X F62X 109.46(16) . . ?
F64X B61X F62X 109.46(16) . . ?
F65X B61X F62X 109.44(16) . . ?
F62Y B61Y F63Y 109.52(16) . . ?
F62Y B61Y F64Y 109.52(16) . . ?
F63Y B61Y F64Y 109.43(16) . . ?
F62Y B61Y F65Y 109.43(16) . . ?
F63Y B61Y F65Y 109.47(16) . . ?
F64Y B61Y F65Y 109.45(16) . . ?
F73X B71X F72X 109.48(16) . . ?
F73X B71X F74X 109.47(16) . . ?
F72X B71X F74X 109.45(16) . . ?
F73X B71X F75X 109.47(16) . . ?
F72X B71X F75X 109.45(16) . . ?
F74X B71X F75X 109.50(16) . . ?
F74Y B71Y F73Y 109.51(16) . . ?
F74Y B71Y F72Y 109.48(16) . . ?
F73Y B71Y F72Y 109.44(16) . . ?
F74Y B71Y F75Y 109.46(16) . . ?
F73Y B71Y F75Y 109.48(16) . . ?
F72Y B71Y F75Y 109.46(16) . . ?
F85X B81X F83X 109.50(16) . . ?
F85X B81X F82X 109.48(16) . . ?
F83X B81X F82X 109.48(16) . . ?
F85X B81X F84X 109.46(16) . . ?
F83X B81X F84X 109.47(16) . . ?
F82X B81X F84X 109.44(16) . . ?
F83Y B81Y F85Y 109.48(16) . . ?
F83Y B81Y F82Y 109.47(16) . . ?
F85Y B81Y F82Y 109.48(16) . . ?
F83Y B81Y F84Y 109.47(16) . . ?
F85Y B81Y F84Y 109.46(16) . . ?
F82Y B81Y F84Y 109.46(16) . . ?
F84Z B81Z F82Z 109.47(16) . . ?
F84Z B81Z F83Z 109.48(16) . . ?
F82Z B81Z F83Z 109.47(16) . . ?
F84Z B81Z F85Z 109.46(16) . . ?
F82Z B81Z F85Z 109.47(16) . . ?
F83Z B81Z F85Z 109.47(16) . . ?
F93W B91W F94W 109.47(16) . . ?
F93W B91W F92W 109.48(16) . . ?
F94W B91W F92W 109.47(16) . . ?
F93W B91W F95W 109.47(16) . . ?
F94W B91W F95W 109.48(16) . . ?
F92W B91W F95W 109.46(16) . . ?
F92X B91X F93X 109.48(16) . . ?
F92X B91X F95X 109.45(16) . . ?
F93X B91X F95X 109.46(16) . . ?
F92X B91X F94X 109.48(16) . . ?
F93X B91X F94X 109.48(16) . . ?
F95X B91X F94X 109.48(16) . . ?
F92Y B91Y F94Y 109.47(16) . . ?
F92Y B91Y F95Y 109.48(16) . . ?
F94Y B91Y F95Y 109.47(16) . . ?
F92Y B91Y F93Y 109.47(16) . . ?
F94Y B91Y F93Y 109.47(16) . . ?
F95Y B91Y F93Y 109.47(16) . . ?
F93Z B91Z F95Z 109.49(16) . . ?
F93Z B91Z F92Z 109.47(16) . . ?
F95Z B91Z F92Z 109.47(16) . . ?
F93Z B91Z F94Z 109.46(16) . . ?
F95Z B91Z F94Z 109.46(16) . . ?
F92Z B91Z F94Z 109.48(16) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N211 2.129(7) . ?
Co1 N311 2.143(7) . ?
Co1 N111 2.144(7) . ?
Co1 N222 2.146(7) . ?
Co1 N322 2.152(7) . ?
Co1 N122 2.169(7) . ?
Co2 N511 2.108(6) . ?
Co2 N411 2.120(6) . ?
Co2 N522 2.126(6) . ?
Co2 N422 2.131(7) . ?
Co2 N142 2.153(7) . ?
Co2 N131 2.191(7) . ?
Co3 N342 2.127(7) . ?
Co3 N431 2.128(7) . ?
Co3 N442 2.145(6) . ?
Co3 N622 2.150(7) . ?
Co3 N331 2.153(4) . ?
Co3 N611 2.163(7) . ?
Co4 N631 2.099(7) . ?
Co4 N642 2.115(6) . ?
Co4 N542 2.140(7) . ?
Co4 N531 2.146(7) . ?
Co4 N242 2.161(7) . ?
Co4 N231 2.176(6) . ?
N111 C112 1.347(11) . ?
N111 C116 1.357(12) . ?
C112 C113 1.399(13) . ?
C112 C123 1.446(13) . ?
C113 C114 1.391(16) . ?
C113 H113 0.9500 . ?
C114 C115 1.369(17) . ?
C114 H114 0.9500 . ?
C115 C116 1.367(14) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
N121 N122 1.341(10) . ?
N121 C125 1.358(11) . ?
N121 C126 1.473(11) . ?
N122 C123 1.361(10) . ?
C123 C124 1.386(13) . ?
C124 C125 1.398(13) . ?
C124 H124 0.9500 . ?
C125 H125 0.9500 . ?
C126 C152 1.512(12) . ?
C126 H12A 0.9900 . ?
C126 H12B 0.9900 . ?
N131 C136 1.341(11) . ?
N131 C132 1.363(10) . ?
C132 C133 1.379(12) . ?
C132 C143 1.444(12) . ?
C133 C134 1.357(15) . ?
C133 H133 0.9500 . ?
C134 C135 1.387(14) . ?
C134 H134 0.9500 . ?
C135 C136 1.382(13) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
N141 C145 1.334(11) . ?
N141 N142 1.356(10) . ?
N141 C146 1.436(11) . ?
N142 C143 1.346(10) . ?
C143 C144 1.397(12) . ?
C144 C145 1.369(14) . ?
C144 H144 0.9500 . ?
C145 H145 0.9500 . ?
C146 C156 1.523(12) . ?
C146 H14A 0.9900 . ?
C146 H14B 0.9900 . ?
N151 C152 1.344(10) . ?
N151 C156 1.345(10) . ?
C152 C153 1.359(12) . ?
C153 C154 1.363(13) . ?
C153 H153 0.9500 . ?
C154 C155 1.407(13) . ?
C154 H154 0.9500 . ?
C155 C156 1.343(12) . ?
C155 H155 0.9500 . ?
N211 C212 1.341(12) . ?
N211 C216 1.351(12) . ?
C212 C213 1.401(13) . ?
C212 C223 1.454(13) . ?
C213 C214 1.352(15) . ?
C213 H213 0.9500 . ?
C214 C215 1.396(16) . ?
C214 H214 0.9500 . ?
C215 C216 1.376(14) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
N221 C225 1.349(12) . ?
N221 N222 1.354(9) . ?
N221 C226 1.456(11) . ?
N222 C223 1.358(11) . ?
C223 C224 1.372(13) . ?
C224 C225 1.372(13) . ?
C224 H224 0.9500 . ?
C225 H225 0.9500 . ?
C226 C252 1.519(11) . ?
C226 H22A 0.9900 . ?
C226 H22B 0.9900 . ?
N231 C236 1.332(11) . ?
N231 C232 1.348(11) . ?
C232 C233 1.375(12) . ?
C232 C243 1.452(13) . ?
C233 C234 1.397(15) . ?
C233 H233 0.9500 . ?
C234 C235 1.372(16) . ?
C234 H234 0.9500 . ?
C235 C236 1.410(13) . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
N241 C245 1.331(11) . ?
N241 N242 1.355(9) . ?
N241 C246 1.465(11) . ?
N242 C243 1.334(10) . ?
C243 C244 1.399(13) . ?
C244 C245 1.366(14) . ?
C244 H244 0.9500 . ?
C245 H245 0.9500 . ?
C246 C256 1.536(13) . ?
C246 H24A 0.9900 . ?
C246 H24B 0.9900 . ?
N251 C252 1.315(11) . ?
N251 C256 1.357(11) . ?
C252 C253 1.389(13) . ?
C253 C254 1.390(13) . ?
C253 H253 0.9500 . ?
C254 C255 1.367(13) . ?
C254 H254 0.9500 . ?
C255 C256 1.370(12) . ?
C255 H255 0.9500 . ?
N311 C316 1.341(11) . ?
N311 C312 1.377(11) . ?
C312 C313 1.359(13) . ?
C312 C323 1.457(12) . ?
C313 C314 1.350(13) . ?
C313 H313 0.9500 . ?
C314 C315 1.422(14) . ?
C314 H314 0.9500 . ?
C315 C316 1.362(13) . ?
C315 H315 0.9500 . ?
C316 H316 0.9500 . ?
N321 C325 1.345(11) . ?
N321 N322 1.349(9) . ?
N321 C326 1.465(11) . ?
N322 C323 1.331(10) . ?
C323 C324 1.382(12) . ?
C324 C325 1.362(13) . ?
C324 H324 0.9500 . ?
C325 H325 0.9500 . ?
C326 C352 1.503(12) . ?
C326 H32A 0.9900 . ?
C326 H32B 0.9900 . ?
N331 C332 1.3900 . ?
N331 C336 1.3900 . ?
C332 C333 1.3900 . ?
C332 C343 1.431(12) . ?
C333 C334 1.3900 . ?
C333 H333 0.9500 . ?
C334 C335 1.3900 . ?
C334 H334 0.9500 . ?
C335 C336 1.3900 . ?
C335 H335 0.9500 . ?
C336 H336 0.9500 . ?
N341 C345 1.340(14) . ?
N341 N342 1.353(10) . ?
N341 C346 1.475(13) . ?
N342 C343 1.330(12) . ?
C343 C344 1.394(15) . ?
C344 C345 1.357(18) . ?
C344 H344 0.9500 . ?
C345 H345 0.9500 . ?
C346 C356 1.501(13) . ?
C346 H34A 0.9900 . ?
C346 H34B 0.9900 . ?
N351 C356 1.336(12) . ?
N351 C352 1.359(11) . ?
C352 C353 1.379(12) . ?
C353 C354 1.384(13) . ?
C353 H353 0.9500 . ?
C354 C355 1.376(14) . ?
C354 H354 0.9500 . ?
C355 C356 1.395(14) . ?
C355 H355 0.9500 . ?
N411 C412 1.337(11) . ?
N411 C416 1.351(10) . ?
C412 C413 1.403(11) . ?
C412 C423 1.453(12) . ?
C413 C414 1.376(12) . ?
C413 H413 0.9500 . ?
C414 C415 1.368(13) . ?
C414 H414 0.9500 . ?
C415 C416 1.383(11) . ?
C415 H415 0.9500 . ?
C416 H416 0.9500 . ?
N421 C425 1.333(11) . ?
N421 N422 1.368(9) . ?
N421 C426 1.456(10) . ?
N422 C423 1.355(10) . ?
C423 C424 1.411(12) . ?
C424 C425 1.359(12) . ?
C424 H424 0.9500 . ?
C425 H425 0.9500 . ?
C426 C452 1.519(12) . ?
C426 H42A 0.9900 . ?
C426 H42B 0.9900 . ?
N431 C436 1.338(10) . ?
N431 C432 1.350(10) . ?
C432 C433 1.390(11) . ?
C432 C443 1.457(11) . ?
C433 C434 1.397(12) . ?
C433 H433 0.9500 . ?
C434 C435 1.383(13) . ?
C434 H434 0.9500 . ?
C435 C436 1.373(12) . ?
C435 H435 0.9500 . ?
C436 H436 0.9500 . ?
N441 C445 1.336(11) . ?
N441 N442 1.348(9) . ?
N441 C446 1.460(11) . ?
N442 C443 1.347(10) . ?
C443 C444 1.386(11) . ?
C444 C445 1.344(12) . ?
C444 H444 0.9500 . ?
C445 H445 0.9500 . ?
C446 C456 1.506(12) . ?
C446 H44A 0.9900 . ?
C446 H44B 0.9900 . ?
N451 C452 1.299(10) 3_766 ?
N451 C456 1.346(10) . ?
C452 N451 1.299(10) 3_766 ?
C452 C453 1.390(12) . ?
C453 C454 1.359(12) . ?
C453 H453 0.9500 . ?
C454 C455 1.388(12) 3_766 ?
C454 H454 0.9500 . ?
C455 C456 1.374(12) . ?
C455 C454 1.388(12) 3_766 ?
C455 H455 0.9500 . ?
N511 C516 1.326(10) . ?
N511 C512 1.358(10) . ?
C512 C513 1.400(11) . ?
C512 C523 1.457(11) . ?
C513 C514 1.392(11) . ?
C513 H513 0.9500 . ?
C514 C515 1.387(12) . ?
C514 H514 0.9500 . ?
C515 C516 1.365(11) . ?
C515 H515 0.9500 . ?
C516 H516 0.9500 . ?
N521 C525 1.342(10) . ?
N521 N522 1.369(8) . ?
N521 C526 1.450(10) . ?
N522 C523 1.351(9) . ?
C523 C524 1.367(11) . ?
C524 C525 1.377(12) . ?
C524 H524 0.9500 . ?
C525 H525 0.9500 . ?
C526 C552 1.499(12) . ?
C526 H52A 0.9900 . ?
C526 H52B 0.9900 . ?
N531 C532 1.325(10) . ?
N531 C536 1.353(10) . ?
C532 C533 1.406(12) . ?
C532 C543 1.458(12) . ?
C533 C534 1.362(13) . ?
C533 H533 0.9500 . ?
C534 C535 1.368(13) . ?
C534 H534 0.9500 . ?
C535 C536 1.383(12) . ?
C535 H535 0.9500 . ?
C536 H536 0.9500 . ?
N541 C545 1.360(12) . ?
N541 N542 1.362(9) . ?
N541 C546 1.449(11) . ?
N542 C543 1.348(11) . ?
C543 C544 1.415(12) . ?
C544 C545 1.369(13) . ?
C544 H544 0.9500 . ?
C545 H545 0.9500 . ?
C546 C556 1.514(12) . ?
C546 H54A 0.9900 . ?
C546 H54B 0.9900 . ?
N551 C556 1.335(11) 3_766 ?
N551 C552 1.344(10) . ?
C552 C553 1.381(12) . ?
C553 C554 1.351(13) 3_766 ?
C553 H553 0.9500 . ?
C554 C553 1.351(12) 3_766 ?
C554 C555 1.384(13) . ?
C554 H554 0.9500 . ?
C555 C556 1.375(13) . ?
C555 H555 0.9500 . ?
C556 N551 1.335(11) 3_766 ?
N611 C612 1.338(11) . ?
N611 C616 1.342(11) . ?
C612 C613 1.402(12) . ?
C612 C623 1.467(12) . ?
C613 C614 1.353(13) . ?
C613 H613 0.9500 . ?
C614 C615 1.378(14) . ?
C614 H614 0.9500 . ?
C615 C616 1.378(13) . ?
C615 H615 0.9500 . ?
C616 H616 0.9500 . ?
N621 C625 1.339(11) . ?
N621 N622 1.351(9) . ?
N621 C626 1.479(11) . ?
N622 C623 1.340(10) . ?
C623 C624 1.359(12) . ?
C624 C625 1.377(13) . ?
C624 H624 0.9500 . ?
C625 H625 0.9500 . ?
C626 C652 1.473(12) 3_766 ?
C626 H62A 0.9900 . ?
C626 H62B 0.9900 . ?
N631 C636 1.341(12) . ?
N631 C632 1.352(10) . ?
C632 C633 1.391(12) . ?
C632 C643 1.454(12) . ?
C633 C634 1.373(14) . ?
C633 H633 0.9500 . ?
C634 C635 1.372(14) . ?
C634 H634 0.9500 . ?
C635 C636 1.394(14) . ?
C635 H635 0.9500 . ?
C636 H636 0.9500 . ?
N641 C645 1.365(11) . ?
N641 N642 1.373(9) . ?
N641 C646 1.446(11) . ?
N642 C643 1.345(10) . ?
C643 C644 1.403(11) . ?
C644 C645 1.354(13) . ?
C644 H644 0.9500 . ?
C645 H645 0.9500 . ?
C646 C656 1.526(12) . ?
C646 H64A 0.9900 . ?
C646 H64B 0.9900 . ?
N651 C652 1.346(11) . ?
N651 C656 1.361(10) . ?
C652 C653 1.392(12) . ?
C652 C626 1.473(12) 3_766 ?
C653 C654 1.385(12) . ?
C653 H653 0.9500 . ?
C654 C655 1.356(12) . ?
C654 H654 0.9500 . ?
C655 C656 1.379(11) . ?
C655 H655 0.9500 . ?
B11 F14 1.278(12) 3_766 ?
B11 F14 1.278(12) . ?
B11 F13 1.406(12) . ?
B11 F13 1.406(13) 3_766 ?
B11 F15 1.488(13) 3_766 ?
B11 F15 1.488(13) . ?
B11 F12 1.493(12) . ?
B11 F12 1.493(12) 3_766 ?
F12 F14 1.641(17) 3_766 ?
F12 F13 1.685(17) . ?
F12 F15 1.780(18) 3_766 ?
F13 F14 1.486(17) . ?
F13 F15 1.656(17) . ?
F14 F15 1.600(17) 3_766 ?
F14 F12 1.641(17) 3_766 ?
F15 F14 1.600(17) 3_766 ?
F15 F12 1.780(18) 3_766 ?
B21 F24 1.383(12) . ?
B21 F25 1.384(13) . ?
B21 F22 1.385(11) . ?
B21 F23 1.406(12) . ?
B31 F34 1.360(15) . ?
B31 F35 1.365(15) . ?
B31 F32 1.382(15) . ?
B31 F33 1.393(15) . ?
B41 F45 1.366(15) . ?
B41 F42 1.369(16) . ?
B41 F44 1.375(13) . ?
B41 F43 1.423(17) . ?
B51 F54 1.375(14) . ?
B51 F55 1.384(14) . ?
B51 F53 1.388(14) . ?
B51 F52 1.394(13) . ?
B61X F63X 1.380(2) . ?
B61X F64X 1.380(2) . ?
B61X F65X 1.380(2) . ?
B61X F62X 1.380(2) . ?
B61Y F62Y 1.380(2) . ?
B61Y F63Y 1.380(2) . ?
B61Y F64Y 1.380(2) . ?
B61Y F65Y 1.380(2) . ?
B71X F73X 1.380(2) . ?
B71X F72X 1.380(2) . ?
B71X F74X 1.380(2) . ?
B71X F75X 1.380(2) . ?
B71Y F74Y 1.380(2) . ?
B71Y F73Y 1.380(2) . ?
B71Y F72Y 1.380(2) . ?
B71Y F75Y 1.380(2) . ?
B81X F85X 1.379(2) . ?
B81X F83X 1.379(2) . ?
B81X F82X 1.380(2) . ?
B81X F84X 1.380(2) . ?
B81Y F83Y 1.380(2) . ?
B81Y F85Y 1.380(2) . ?
B81Y F82Y 1.380(2) . ?
B81Y F84Y 1.380(2) . ?
B81Z F84Z 1.380(2) . ?
B81Z F82Z 1.380(2) . ?
B81Z F83Z 1.380(2) . ?
B81Z F85Z 1.380(2) . ?
B91W F93W 1.380(2) . ?
B91W F94W 1.380(2) . ?
B91W F92W 1.380(2) . ?
B91W F95W 1.380(2) . ?
B91X F92X 1.380(2) . ?
B91X F93X 1.380(2) . ?
B91X F95X 1.380(2) . ?
B91X F94X 1.380(2) . ?
B91Y F92Y 1.380(2) . ?
B91Y F94Y 1.380(2) . ?
B91Y F95Y 1.380(2) . ?
B91Y F93Y 1.380(2) . ?
B91Z F93Z 1.380(2) . ?
B91Z F95Z 1.380(2) . ?
B91Z F92Z 1.380(2) . ?
B91Z F94Z 1.380(2) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N211 Co1 N111 C112 172.5(6) . . . . ?
N311 Co1 N111 C112 77.7(6) . . . . ?
N222 Co1 N111 C112 -111.2(6) . . . . ?
N322 Co1 N111 C112 60.3(19) . . . . ?
N122 Co1 N111 C112 -8.5(6) . . . . ?
N211 Co1 N111 C116 -8.7(9) . . . . ?
N311 Co1 N111 C116 -103.5(9) . . . . ?
N222 Co1 N111 C116 67.6(9) . . . . ?
N322 Co1 N111 C116 -120.8(16) . . . . ?
N122 Co1 N111 C116 170.3(9) . . . . ?
C116 N111 C112 C113 3.6(14) . . . . ?
Co1 N111 C112 C113 -177.5(7) . . . . ?
C116 N111 C112 C123 -176.8(9) . . . . ?
Co1 N111 C112 C123 2.2(10) . . . . ?
N111 C112 C113 C114 -1.3(15) . . . . ?
C123 C112 C113 C114 179.2(10) . . . . ?
C112 C113 C114 C115 -1.1(19) . . . . ?
C113 C114 C115 C116 1(2) . . . . ?
C112 N111 C116 C115 -3.8(17) . . . . ?
Co1 N111 C116 C115 177.4(9) . . . . ?
C114 C115 C116 N111 1(2) . . . . ?
C125 N121 N122 C123 0.4(9) . . . . ?
C126 N121 N122 C123 -173.5(7) . . . . ?
C125 N121 N122 Co1 -155.0(7) . . . . ?
C126 N121 N122 Co1 31.1(12) . . . . ?
N211 Co1 N122 N121 174.2(16) . . . . ?
N311 Co1 N122 N121 73.2(8) . . . . ?
N111 Co1 N122 N121 168.0(8) . . . . ?
N222 Co1 N122 N121 -105.9(8) . . . . ?
N322 Co1 N122 N121 -2.7(8) . . . . ?
N211 Co1 N122 C123 20(2) . . . . ?
N311 Co1 N122 C123 -81.3(6) . . . . ?
N111 Co1 N122 C123 13.6(6) . . . . ?
N222 Co1 N122 C123 99.6(6) . . . . ?
N322 Co1 N122 C123 -157.2(6) . . . . ?
N121 N122 C123 C124 -1.0(9) . . . . ?
Co1 N122 C123 C124 162.0(6) . . . . ?
N121 N122 C123 C112 179.7(7) . . . . ?
Co1 N122 C123 C112 -17.4(9) . . . . ?
N111 C112 C123 N122 10.6(12) . . . . ?
C113 C112 C123 N122 -169.8(8) . . . . ?
N111 C112 C123 C124 -168.5(9) . . . . ?
C113 C112 C123 C124 11.1(15) . . . . ?
N122 C123 C124 C125 1.2(10) . . . . ?
C112 C123 C124 C125 -179.6(9) . . . . ?
N122 N121 C125 C124 0.3(10) . . . . ?
C126 N121 C125 C124 173.8(8) . . . . ?
C123 C124 C125 N121 -0.9(10) . . . . ?
N122 N121 C126 C152 -98.0(9) . . . . ?
C125 N121 C126 C152 89.0(10) . . . . ?
N511 Co2 N131 C136 -93.6(7) . . . . ?
N411 Co2 N131 C136 85.1(7) . . . . ?
N522 Co2 N131 C136 -134(2) . . . . ?
N422 Co2 N131 C136 7.6(7) . . . . ?
N142 Co2 N131 C136 -179.6(7) . . . . ?
N511 Co2 N131 C132 100.9(6) . . . . ?
N411 Co2 N131 C132 -80.3(6) . . . . ?
N522 Co2 N131 C132 61(2) . . . . ?
N422 Co2 N131 C132 -157.9(5) . . . . ?
N142 Co2 N131 C132 14.9(5) . . . . ?
C136 N131 C132 C133 0.5(12) . . . . ?
Co2 N131 C132 C133 167.3(7) . . . . ?
C136 N131 C132 C143 178.2(7) . . . . ?
Co2 N131 C132 C143 -15.0(9) . . . . ?
N131 C132 C133 C134 -0.9(15) . . . . ?
C143 C132 C133 C134 -178.4(9) . . . . ?
C132 C133 C134 C135 1.0(16) . . . . ?
C133 C134 C135 C136 -0.6(16) . . . . ?
C132 N131 C136 C135 -0.1(12) . . . . ?
Co2 N131 C136 C135 -165.1(7) . . . . ?
C134 C135 C136 N131 0.2(14) . . . . ?
C145 N141 N142 C143 -0.8(9) . . . . ?
C146 N141 N142 C143 171.6(7) . . . . ?
C145 N141 N142 Co2 168.5(6) . . . . ?
C146 N141 N142 Co2 -19.1(12) . . . . ?
N511 Co2 N142 C143 -110.6(5) . . . . ?
N411 Co2 N142 C143 69.9(5) . . . . ?
N522 Co2 N142 C143 172.0(5) . . . . ?
N422 Co2 N142 C143 15.4(12) . . . . ?
N131 Co2 N142 C143 -12.6(5) . . . . ?
N511 Co2 N142 N141 80.7(8) . . . . ?
N411 Co2 N142 N141 -98.7(8) . . . . ?
N522 Co2 N142 N141 3.3(8) . . . . ?
N422 Co2 N142 N141 -153.2(8) . . . . ?
N131 Co2 N142 N141 178.8(8) . . . . ?
N141 N142 C143 C144 1.3(9) . . . . ?
Co2 N142 C143 C144 -171.1(6) . . . . ?
N141 N142 C143 C132 -178.6(7) . . . . ?
Co2 N142 C143 C132 9.1(9) . . . . ?
N131 C132 C143 N142 4.2(11) . . . . ?
C133 C132 C143 N142 -178.2(8) . . . . ?
N131 C132 C143 C144 -175.6(8) . . . . ?
C133 C132 C143 C144 2.0(15) . . . . ?
N142 C143 C144 C145 -1.2(10) . . . . ?
C132 C143 C144 C145 178.6(9) . . . . ?
N142 N141 C145 C144 0.0(11) . . . . ?
C146 N141 C145 C144 -171.5(8) . . . . ?
C143 C144 C145 N141 0.7(11) . . . . ?
C145 N141 C146 C156 85.6(11) . . . . ?
N142 N141 C146 C156 -85.1(9) . . . . ?
C156 N151 C152 C153 1.4(12) . . . . ?
C156 N151 C152 C126 176.5(7) . . . . ?
N121 C126 C152 N151 159.4(7) . . . . ?
N121 C126 C152 C153 -25.6(12) . . . . ?
N151 C152 C153 C154 -1.4(14) . . . . ?
C126 C152 C153 C154 -175.9(9) . . . . ?
C152 C153 C154 C155 0.9(14) . . . . ?
C153 C154 C155 C156 -0.5(15) . . . . ?
C154 C155 C156 N151 0.5(14) . . . . ?
C154 C155 C156 C146 -176.9(8) . . . . ?
C152 N151 C156 C155 -0.9(12) . . . . ?
C152 N151 C156 C146 176.7(7) . . . . ?
N141 C146 C156 C155 -13.7(12) . . . . ?
N141 C146 C156 N151 168.7(7) . . . . ?
N311 Co1 N211 C212 174.2(6) . . . . ?
N111 Co1 N211 C212 79.7(6) . . . . ?
N222 Co1 N211 C212 -8.2(6) . . . . ?
N322 Co1 N211 C212 -109.4(6) . . . . ?
N122 Co1 N211 C212 74(2) . . . . ?
N311 Co1 N211 C216 -4.9(8) . . . . ?
N111 Co1 N211 C216 -99.4(8) . . . . ?
N222 Co1 N211 C216 172.7(8) . . . . ?
N322 Co1 N211 C216 71.5(7) . . . . ?
N122 Co1 N211 C216 -105.4(19) . . . . ?
C216 N211 C212 C213 1.6(13) . . . . ?
Co1 N211 C212 C213 -177.6(7) . . . . ?
C216 N211 C212 C223 -179.7(8) . . . . ?
Co1 N211 C212 C223 1.1(10) . . . . ?
N211 C212 C213 C214 -2.1(15) . . . . ?
C223 C212 C213 C214 179.3(9) . . . . ?
C212 C213 C214 C215 1.0(17) . . . . ?
C213 C214 C215 C216 0.3(17) . . . . ?
C212 N211 C216 C215 -0.1(14) . . . . ?
Co1 N211 C216 C215 179.0(8) . . . . ?
C214 C215 C216 N211 -0.8(16) . . . . ?
C225 N221 N222 C223 1.2(9) . . . . ?
C226 N221 N222 C223 -174.4(7) . . . . ?
C225 N221 N222 Co1 -152.8(7) . . . . ?
C226 N221 N222 Co1 31.6(11) . . . . ?
N211 Co1 N222 N221 166.9(8) . . . . ?
N311 Co1 N222 N221 -179(40) . . . . ?
N111 Co1 N222 N221 72.3(8) . . . . ?
N322 Co1 N222 N221 -106.2(8) . . . . ?
N122 Co1 N222 N221 -4.1(8) . . . . ?
N211 Co1 N222 C223 14.1(5) . . . . ?
N311 Co1 N222 C223 28.7(19) . . . . ?
N111 Co1 N222 C223 -80.5(6) . . . . ?
N322 Co1 N222 C223 101.0(6) . . . . ?
N122 Co1 N222 C223 -156.8(5) . . . . ?
N221 N222 C223 C224 -0.7(9) . . . . ?
Co1 N222 C223 C224 160.9(6) . . . . ?
N221 N222 C223 C212 179.6(7) . . . . ?
Co1 N222 C223 C212 -18.7(9) . . . . ?
N211 C212 C223 N222 12.1(11) . . . . ?
C213 C212 C223 N222 -169.2(8) . . . . ?
N211 C212 C223 C224 -167.4(9) . . . . ?
C213 C212 C223 C224 11.2(15) . . . . ?
N222 C223 C224 C225 0.0(10) . . . . ?
C212 C223 C224 C225 179.6(9) . . . . ?
N222 N221 C225 C224 -1.2(9) . . . . ?
C226 N221 C225 C224 174.0(7) . . . . ?
C223 C224 C225 N221 0.7(9) . . . . ?
C225 N221 C226 C252 90.1(10) . . . . ?
N222 N221 C226 C252 -95.1(9) . . . . ?
N631 Co4 N231 C236 -87.4(8) . . . . ?
N642 Co4 N231 C236 -126(2) . . . . ?
N542 Co4 N231 C236 14.5(8) . . . . ?
N531 Co4 N231 C236 90.8(8) . . . . ?
N242 Co4 N231 C236 -176.5(8) . . . . ?
N631 Co4 N231 C232 103.2(6) . . . . ?
N642 Co4 N231 C232 65(3) . . . . ?
N542 Co4 N231 C232 -154.9(6) . . . . ?
N531 Co4 N231 C232 -78.7(6) . . . . ?
N242 Co4 N231 C232 14.1(6) . . . . ?
C236 N231 C232 C233 -2.8(14) . . . . ?
Co4 N231 C232 C233 167.6(8) . . . . ?
C236 N231 C232 C243 175.2(8) . . . . ?
Co4 N231 C232 C243 -14.4(10) . . . . ?
N231 C232 C233 C234 1.2(17) . . . . ?
C243 C232 C233 C234 -176.7(10) . . . . ?
C232 C233 C234 C235 1.7(18) . . . . ?
C233 C234 C235 C236 -2.7(18) . . . . ?
C232 N231 C236 C235 1.7(14) . . . . ?
Co4 N231 C236 C235 -167.5(8) . . . . ?
C234 C235 C236 N231 1.0(17) . . . . ?
C245 N241 N242 C243 1.2(10) . . . . ?
C246 N241 N242 C243 172.3(8) . . . . ?
C245 N241 N242 Co4 170.3(7) . . . . ?
C246 N241 N242 Co4 -18.6(12) . . . . ?
N631 Co4 N242 C243 -109.1(6) . . . . ?
N642 Co4 N242 C243 173.3(6) . . . . ?
N542 Co4 N242 C243 27.5(13) . . . . ?
N531 Co4 N242 C243 70.8(6) . . . . ?
N231 Co4 N242 C243 -11.6(6) . . . . ?
N631 Co4 N242 N241 82.4(8) . . . . ?
N642 Co4 N242 N241 4.8(9) . . . . ?
N542 Co4 N242 N241 -141.0(9) . . . . ?
N531 Co4 N242 N241 -97.7(8) . . . . ?
N231 Co4 N242 N241 180(100) . . . . ?
N241 N242 C243 C244 1.8(10) . . . . ?
Co4 N242 C243 C244 -170.4(6) . . . . ?
N241 N242 C243 C232 -179.6(8) . . . . ?
Co4 N242 C243 C232 8.2(10) . . . . ?
N231 C232 C243 N242 4.1(12) . . . . ?
C233 C232 C243 N242 -177.8(10) . . . . ?
N231 C232 C243 C244 -177.6(10) . . . . ?
C233 C232 C243 C244 0.5(17) . . . . ?
N242 C243 C244 C245 -3.9(11) . . . . ?
C232 C243 C244 C245 177.7(10) . . . . ?
N242 N241 C245 C244 -3.7(11) . . . . ?
C246 N241 C245 C244 -173.9(9) . . . . ?
C243 C244 C245 N241 4.5(12) . . . . ?
C245 N241 C246 C256 85.2(11) . . . . ?
N242 N241 C246 C256 -84.2(9) . . . . ?
C256 N251 C252 C253 -0.8(13) . . . . ?
C256 N251 C252 C226 176.2(7) . . . . ?
N221 C226 C252 N251 159.7(7) . . . . ?
N221 C226 C252 C253 -23.2(12) . . . . ?
N251 C252 C253 C254 3.7(14) . . . . ?
C226 C252 C253 C254 -173.1(8) . . . . ?
C252 C253 C254 C255 -4.6(15) . . . . ?
C253 C254 C255 C256 2.7(15) . . . . ?
C252 N251 C256 C255 -1.4(13) . . . . ?
C252 N251 C256 C246 177.5(7) . . . . ?
C254 C255 C256 N251 0.5(14) . . . . ?
C254 C255 C256 C246 -178.3(9) . . . . ?
N241 C246 C256 N251 171.4(7) . . . . ?
N241 C246 C256 C255 -9.8(12) . . . . ?
N211 Co1 N311 C316 -99.1(7) . . . . ?
N111 Co1 N311 C316 -4.6(8) . . . . ?
N222 Co1 N311 C316 -113.3(16) . . . . ?
N322 Co1 N311 C316 172.4(8) . . . . ?
N122 Co1 N311 C316 72.1(7) . . . . ?
N211 Co1 N311 C312 83.0(6) . . . . ?
N111 Co1 N311 C312 177.6(6) . . . . ?
N222 Co1 N311 C312 68.8(19) . . . . ?
N322 Co1 N311 C312 -5.4(6) . . . . ?
N122 Co1 N311 C312 -105.8(6) . . . . ?
C316 N311 C312 C313 1.0(12) . . . . ?
Co1 N311 C312 C313 179.1(7) . . . . ?
C316 N311 C312 C323 179.6(7) . . . . ?
Co1 N311 C312 C323 -2.3(9) . . . . ?
N311 C312 C313 C314 -0.6(14) . . . . ?
C323 C312 C313 C314 -178.9(9) . . . . ?
C312 C313 C314 C315 0.1(15) . . . . ?
C313 C314 C315 C316 -0.2(15) . . . . ?
C312 N311 C316 C315 -1.1(13) . . . . ?
Co1 N311 C316 C315 -179.0(7) . . . . ?
C314 C315 C316 N311 0.7(15) . . . . ?
C325 N321 N322 C323 -0.9(9) . . . . ?
C326 N321 N322 C323 -174.7(7) . . . . ?
C325 N321 N322 Co1 -154.9(7) . . . . ?
C326 N321 N322 Co1 31.3(12) . . . . ?
N211 Co1 N322 C323 -81.7(6) . . . . ?
N311 Co1 N322 C323 13.0(6) . . . . ?
N111 Co1 N322 C323 30.9(19) . . . . ?
N222 Co1 N322 C323 -157.8(6) . . . . ?
N122 Co1 N322 C323 97.9(6) . . . . ?
N211 Co1 N322 N321 70.9(8) . . . . ?
N311 Co1 N322 N321 165.6(8) . . . . ?
N111 Co1 N322 N321 -176.6(14) . . . . ?
N222 Co1 N322 N321 -5.2(8) . . . . ?
N122 Co1 N322 N321 -109.6(8) . . . . ?
N321 N322 C323 C324 1.7(10) . . . . ?
Co1 N322 C323 C324 163.1(6) . . . . ?
N321 N322 C323 C312 179.3(7) . . . . ?
Co1 N322 C323 C312 -19.3(10) . . . . ?
C313 C312 C323 N322 -166.8(9) . . . . ?
N311 C312 C323 N322 14.7(11) . . . . ?
C313 C312 C323 C324 10.3(16) . . . . ?
N311 C312 C323 C324 -168.2(9) . . . . ?
N322 C323 C324 C325 -1.8(11) . . . . ?
C312 C323 C324 C325 -179.1(9) . . . . ?
N322 N321 C325 C324 -0.1(10) . . . . ?
C326 N321 C325 C324 173.2(8) . . . . ?
C323 C324 C325 N321 1.1(10) . . . . ?
C325 N321 C326 C352 91.2(11) . . . . ?
N322 N321 C326 C352 -96.0(9) . . . . ?
N342 Co3 N331 C332 13.6(4) . . . . ?
N431 Co3 N331 C332 102.1(4) . . . . ?
N442 Co3 N331 C332 87.7(17) . . . . ?
N622 Co3 N331 C332 -154.9(4) . . . . ?
N611 Co3 N331 C332 -78.8(4) . . . . ?
N342 Co3 N331 C336 -171.5(4) . . . . ?
N431 Co3 N331 C336 -83.0(4) . . . . ?
N442 Co3 N331 C336 -97.4(16) . . . . ?
N622 Co3 N331 C336 19.9(4) . . . . ?
N611 Co3 N331 C336 96.1(4) . . . . ?
C336 N331 C332 C333 0.0 . . . . ?
Co3 N331 C332 C333 175.2(4) . . . . ?
C336 N331 C332 C343 174.9(7) . . . . ?
Co3 N331 C332 C343 -9.9(7) . . . . ?
N331 C332 C333 C334 0.0 . . . . ?
C343 C332 C333 C334 -174.3(8) . . . . ?
C332 C333 C334 C335 0.0 . . . . ?
C333 C334 C335 C336 0.0 . . . . ?
C334 C335 C336 N331 0.0 . . . . ?
C332 N331 C336 C335 0.0 . . . . ?
Co3 N331 C336 C335 -174.6(5) . . . . ?
C345 N341 N342 C343 0.7(11) . . . . ?
C346 N341 N342 C343 168.6(9) . . . . ?
C345 N341 N342 Co3 159.1(8) . . . . ?
C346 N341 N342 Co3 -33.0(13) . . . . ?
N431 Co3 N342 C343 -110.3(7) . . . . ?
N442 Co3 N342 C343 172.7(7) . . . . ?
N622 Co3 N342 C343 25.1(13) . . . . ?
N331 Co3 N342 C343 -15.8(7) . . . . ?
N611 Co3 N342 C343 70.6(7) . . . . ?
N431 Co3 N342 N341 92.8(9) . . . . ?
N442 Co3 N342 N341 15.7(9) . . . . ?
N622 Co3 N342 N341 -131.8(9) . . . . ?
N331 Co3 N342 N341 -172.7(9) . . . . ?
N611 Co3 N342 N341 -86.3(9) . . . . ?
N341 N342 C343 C344 0.4(12) . . . . ?
Co3 N342 C343 C344 -163.7(8) . . . . ?
N341 N342 C343 C332 -179.9(8) . . . . ?
Co3 N342 C343 C332 16.1(11) . . . . ?
C333 C332 C343 N342 170.6(7) . . . . ?
N331 C332 C343 N342 -4.0(11) . . . . ?
C333 C332 C343 C344 -9.7(16) . . . . ?
N331 C332 C343 C344 175.7(11) . . . . ?
N342 C343 C344 C345 -1.2(15) . . . . ?
C332 C343 C344 C345 179.1(11) . . . . ?
N342 N341 C345 C344 -1.5(15) . . . . ?
C346 N341 C345 C344 -168.0(11) . . . . ?
C343 C344 C345 N341 1.6(15) . . . . ?
C345 N341 C346 C356 88.6(13) . . . . ?
N342 N341 C346 C356 -76.9(11) . . . . ?
C356 N351 C352 C353 -1.6(12) . . . . ?
C356 N351 C352 C326 177.5(7) . . . . ?
N321 C326 C352 N351 158.7(7) . . . . ?
N321 C326 C352 C353 -22.1(12) . . . . ?
N351 C352 C353 C354 2.7(13) . . . . ?
C326 C352 C353 C354 -176.3(8) . . . . ?
C352 C353 C354 C355 -2.2(14) . . . . ?
C353 C354 C355 C356 0.8(14) . . . . ?
C352 N351 C356 C355 0.1(13) . . . . ?
C352 N351 C356 C346 178.6(7) . . . . ?
C354 C355 C356 N351 0.3(14) . . . . ?
C354 C355 C356 C346 -178.1(9) . . . . ?
N341 C346 C356 N351 165.4(8) . . . . ?
N341 C346 C356 C355 -16.0(13) . . . . ?
N511 Co2 N411 C412 47(11) . . . . ?
N522 Co2 N411 C412 105.9(6) . . . . ?
N422 Co2 N411 C412 13.9(5) . . . . ?
N142 Co2 N411 C412 -153.2(6) . . . . ?
N131 Co2 N411 C412 -78.1(6) . . . . ?
N511 Co2 N411 C416 -146(10) . . . . ?
N522 Co2 N411 C416 -86.9(7) . . . . ?
N422 Co2 N411 C416 -178.9(7) . . . . ?
N142 Co2 N411 C416 14.0(7) . . . . ?
N131 Co2 N411 C416 89.1(7) . . . . ?
C416 N411 C412 C413 -1.3(11) . . . . ?
Co2 N411 C412 C413 167.1(6) . . . . ?
C416 N411 C412 C423 179.1(7) . . . . ?
Co2 N411 C412 C423 -12.5(9) . . . . ?
N411 C412 C413 C414 -1.9(13) . . . . ?
C423 C412 C413 C414 177.6(8) . . . . ?
C412 C413 C414 C415 4.5(13) . . . . ?
C413 C414 C415 C416 -3.7(13) . . . . ?
C412 N411 C416 C415 2.1(11) . . . . ?
Co2 N411 C416 C415 -164.6(6) . . . . ?
C414 C415 C416 N411 0.3(12) . . . . ?
C425 N421 N422 C423 1.4(9) . . . . ?
C426 N421 N422 C423 177.3(7) . . . . ?
C425 N421 N422 Co2 166.2(7) . . . . ?
C426 N421 N422 Co2 -17.9(12) . . . . ?
N511 Co2 N422 C423 167.8(5) . . . . ?
N411 Co2 N422 C423 -13.1(5) . . . . ?
N522 Co2 N422 C423 -113.7(5) . . . . ?
N142 Co2 N422 C423 43.2(12) . . . . ?
N131 Co2 N422 C423 70.3(5) . . . . ?
N511 Co2 N422 N421 3.7(8) . . . . ?
N411 Co2 N422 N421 -177.2(8) . . . . ?
N522 Co2 N422 N421 82.2(8) . . . . ?
N142 Co2 N422 N421 -120.9(10) . . . . ?
N131 Co2 N422 N421 -93.9(8) . . . . ?
N421 N422 C423 C424 -0.6(9) . . . . ?
Co2 N422 C423 C424 -170.6(6) . . . . ?
N421 N422 C423 C412 -179.0(7) . . . . ?
Co2 N422 C423 C412 11.0(9) . . . . ?
N411 C412 C423 N422 0.8(11) . . . . ?
C413 C412 C423 N422 -178.8(7) . . . . ?
N411 C412 C423 C424 -177.1(9) . . . . ?
C413 C412 C423 C424 3.3(15) . . . . ?
N422 C423 C424 C425 -0.2(10) . . . . ?
C412 C423 C424 C425 177.8(9) . . . . ?
N422 N421 C425 C424 -1.6(10) . . . . ?
C426 N421 C425 C424 -177.2(8) . . . . ?
C423 C424 C425 N421 1.1(11) . . . . ?
C425 N421 C426 C452 81.4(11) . . . . ?
N422 N421 C426 C452 -93.8(9) . . . . ?
N342 Co3 N431 C436 70.8(7) . . . . ?
N442 Co3 N431 C436 172.9(7) . . . . ?
N622 Co3 N431 C436 -96.5(7) . . . . ?
N331 Co3 N431 C436 -4.9(7) . . . . ?
N611 Co3 N431 C436 -147(10) . . . . ?
N342 Co3 N431 C432 -102.9(6) . . . . ?
N442 Co3 N431 C432 -0.8(5) . . . . ?
N622 Co3 N431 C432 89.8(6) . . . . ?
N331 Co3 N431 C432 -178.6(6) . . . . ?
N611 Co3 N431 C432 39(10) . . . . ?
C436 N431 C432 C433 0.8(12) . . . . ?
Co3 N431 C432 C433 175.0(6) . . . . ?
C436 N431 C432 C443 -178.8(7) . . . . ?
Co3 N431 C432 C443 -4.6(9) . . . . ?
N431 C432 C433 C434 -1.6(12) . . . . ?
C443 C432 C433 C434 178.0(8) . . . . ?
C432 C433 C434 C435 0.8(13) . . . . ?
C433 C434 C435 C436 0.6(14) . . . . ?
C432 N431 C436 C435 0.7(13) . . . . ?
Co3 N431 C436 C435 -172.8(7) . . . . ?
C434 C435 C436 N431 -1.5(15) . . . . ?
C445 N441 N442 C443 1.1(9) . . . . ?
C446 N441 N442 C443 -177.8(7) . . . . ?
C445 N441 N442 Co3 -167.5(7) . . . . ?
C446 N441 N442 Co3 13.5(12) . . . . ?
N342 Co3 N442 C443 93.3(5) . . . . ?
N431 Co3 N442 C443 6.4(5) . . . . ?
N622 Co3 N442 C443 -96.1(5) . . . . ?
N331 Co3 N442 C443 21.1(19) . . . . ?
N611 Co3 N442 C443 -172.6(5) . . . . ?
N342 Co3 N442 N441 -98.7(8) . . . . ?
N431 Co3 N442 N441 174.4(8) . . . . ?
N622 Co3 N442 N441 71.9(8) . . . . ?
N331 Co3 N442 N441 -170.9(13) . . . . ?
N611 Co3 N442 N441 -4.6(8) . . . . ?
N441 N442 C443 C444 -1.4(8) . . . . ?
Co3 N442 C443 C444 170.9(5) . . . . ?
N441 N442 C443 C432 176.6(7) . . . . ?
Co3 N442 C443 C432 -11.0(9) . . . . ?
N431 C432 C443 N442 10.6(10) . . . . ?
C433 C432 C443 N442 -169.0(7) . . . . ?
N431 C432 C443 C444 -171.8(8) . . . . ?
C433 C432 C443 C444 8.6(14) . . . . ?
N442 C443 C444 C445 1.2(10) . . . . ?
C432 C443 C444 C445 -176.5(8) . . . . ?
N442 N441 C445 C444 -0.4(10) . . . . ?
C446 N441 C445 C444 178.5(8) . . . . ?
C443 C444 C445 N441 -0.5(10) . . . . ?
C445 N441 C446 C456 97.4(10) . . . . ?
N442 N441 C446 C456 -83.9(10) . . . . ?
N421 C426 C452 N451 -30.7(11) . . . 3_766 ?
N421 C426 C452 C453 152.9(8) . . . . ?
N451 C452 C453 C454 -0.8(13) 3_766 . . . ?
C426 C452 C453 C454 175.4(8) . . . . ?
C452 C453 C454 C455 1.4(13) . . . 3_766 ?
C452 N451 C456 C455 1.6(12) 3_766 . . . ?
C452 N451 C456 C446 -179.7(7) 3_766 . . . ?
C454 C455 C456 N451 -2.3(12) 3_766 . . . ?
C454 C455 C456 C446 179.2(8) 3_766 . . . ?
N441 C446 C456 N451 171.6(7) . . . . ?
N441 C446 C456 C455 -9.8(12) . . . . ?
N411 Co2 N511 C516 -127(10) . . . . ?
N522 Co2 N511 C516 173.7(7) . . . . ?
N422 Co2 N511 C516 -94.3(7) . . . . ?
N142 Co2 N511 C516 73.0(7) . . . . ?
N131 Co2 N511 C516 -2.2(7) . . . . ?
N411 Co2 N511 C512 55(11) . . . . ?
N522 Co2 N511 C512 -3.8(5) . . . . ?
N422 Co2 N511 C512 88.3(6) . . . . ?
N142 Co2 N511 C512 -104.5(6) . . . . ?
N131 Co2 N511 C512 -179.7(5) . . . . ?
C516 N511 C512 C513 -1.4(11) . . . . ?
Co2 N511 C512 C513 176.2(6) . . . . ?
C516 N511 C512 C523 -178.5(7) . . . . ?
Co2 N511 C512 C523 -0.8(9) . . . . ?
N511 C512 C513 C514 0.2(12) . . . . ?
C523 C512 C513 C514 177.1(8) . . . . ?
C512 C513 C514 C515 1.1(13) . . . . ?
C513 C514 C515 C516 -1.2(14) . . . . ?
C512 N511 C516 C515 1.4(13) . . . . ?
Co2 N511 C516 C515 -176.0(7) . . . . ?
C514 C515 C516 N511 -0.1(14) . . . . ?
C525 N521 N522 C523 -0.2(9) . . . . ?
C526 N521 N522 C523 -176.8(7) . . . . ?
C525 N521 N522 Co2 -165.3(7) . . . . ?
C526 N521 N522 Co2 18.1(12) . . . . ?
N511 Co2 N522 C523 8.1(5) . . . . ?
N411 Co2 N522 C523 -170.6(5) . . . . ?
N422 Co2 N522 C523 -92.3(5) . . . . ?
N142 Co2 N522 C523 93.9(5) . . . . ?
N131 Co2 N522 C523 49(2) . . . . ?
N511 Co2 N522 N521 172.4(8) . . . . ?
N411 Co2 N522 N521 -6.3(8) . . . . ?
N422 Co2 N522 N521 72.0(8) . . . . ?
N142 Co2 N522 N521 -101.9(8) . . . . ?
N131 Co2 N522 N521 -147(2) . . . . ?
N521 N522 C523 C524 0.1(9) . . . . ?
Co2 N522 C523 C524 169.9(6) . . . . ?
N521 N522 C523 C512 179.0(6) . . . . ?
Co2 N522 C523 C512 -11.2(8) . . . . ?
N511 C512 C523 N522 8.2(10) . . . . ?
C513 C512 C523 N522 -168.8(7) . . . . ?
N511 C512 C523 C524 -173.2(9) . . . . ?
C513 C512 C523 C524 9.7(14) . . . . ?
N522 C523 C524 C525 0.0(10) . . . . ?
C512 C523 C524 C525 -178.6(8) . . . . ?
N522 N521 C525 C524 0.2(10) . . . . ?
C526 N521 C525 C524 176.6(8) . . . . ?
C523 C524 C525 N521 -0.1(10) . . . . ?
C525 N521 C526 C552 100.8(10) . . . . ?
N522 N521 C526 C552 -83.3(9) . . . . ?
N631 Co4 N531 C532 24(8) . . . . ?
N642 Co4 N531 C532 106.5(5) . . . . ?
N542 Co4 N531 C532 15.3(5) . . . . ?
N242 Co4 N531 C532 -152.4(5) . . . . ?
N231 Co4 N531 C532 -77.3(5) . . . . ?
N631 Co4 N531 C536 -171(7) . . . . ?
N642 Co4 N531 C536 -88.9(6) . . . . ?
N542 Co4 N531 C536 179.8(6) . . . . ?
N242 Co4 N531 C536 12.1(6) . . . . ?
N231 Co4 N531 C536 87.2(6) . . . . ?
C536 N531 C532 C533 -1.0(11) . . . . ?
Co4 N531 C532 C533 164.8(6) . . . . ?
C536 N531 C532 C543 178.6(6) . . . . ?
Co4 N531 C532 C543 -15.7(8) . . . . ?
N531 C532 C533 C534 -0.7(12) . . . . ?
C543 C532 C533 C534 179.7(8) . . . . ?
C532 C533 C534 C535 2.1(13) . . . . ?
C533 C534 C535 C536 -1.9(13) . . . . ?
C532 N531 C536 C535 1.2(11) . . . . ?
Co4 N531 C536 C535 -162.8(6) . . . . ?
C534 C535 C536 N531 0.2(12) . . . . ?
C545 N541 N542 C543 0.2(8) . . . . ?
C546 N541 N542 C543 176.2(7) . . . . ?
C545 N541 N542 Co4 168.1(6) . . . . ?
C546 N541 N542 Co4 -15.9(12) . . . . ?
N631 Co4 N542 C543 167.8(5) . . . . ?
N642 Co4 N542 C543 -114.0(5) . . . . ?
N531 Co4 N542 C543 -12.4(5) . . . . ?
N242 Co4 N542 C543 32.4(12) . . . . ?
N231 Co4 N542 C543 70.0(5) . . . . ?
N631 Co4 N542 N541 0.5(8) . . . . ?
N642 Co4 N542 N541 78.7(8) . . . . ?
N531 Co4 N542 N541 -179.8(8) . . . . ?
N242 Co4 N542 N541 -135.0(9) . . . . ?
N231 Co4 N542 N541 -97.3(8) . . . . ?
N541 N542 C543 C544 -0.5(8) . . . . ?
Co4 N542 C543 C544 -172.0(5) . . . . ?
N541 N542 C543 C532 -179.9(6) . . . . ?
Co4 N542 C543 C532 8.6(8) . . . . ?
N531 C532 C543 N542 4.8(10) . . . . ?
C533 C532 C543 N542 -175.7(7) . . . . ?
N531 C532 C543 C544 -174.4(8) . . . . ?
C533 C532 C543 C544 5.1(13) . . . . ?
N542 C543 C544 C545 0.6(9) . . . . ?
C532 C543 C544 C545 179.8(8) . . . . ?
N542 N541 C545 C544 0.2(10) . . . . ?
C546 N541 C545 C544 -175.6(8) . . . . ?
C543 C544 C545 N541 -0.5(9) . . . . ?
C545 N541 C546 C556 85.5(10) . . . . ?
N542 N541 C546 C556 -89.9(10) . . . . ?
C556 N551 C552 C553 -0.4(12) 3_766 . . . ?
C556 N551 C552 C526 179.3(7) 3_766 . . . ?
N521 C526 C552 N551 167.8(6) . . . . ?
N521 C526 C552 C553 -12.4(11) . . . . ?
N551 C552 C553 C554 -0.3(13) . . . 3_766 ?
C526 C552 C553 C554 180.0(8) . . . 3_766 ?
C553 C554 C555 C556 -1.2(13) 3_766 . . . ?
C554 C555 C556 N551 2.1(13) . . . 3_766 ?
C554 C555 C556 C546 177.2(8) . . . . ?
N541 C546 C556 N551 -32.8(11) . . . 3_766 ?
N541 C546 C556 C555 151.8(8) . . . . ?
N342 Co3 N611 C612 -153.8(6) . . . . ?
N431 Co3 N611 C612 64(10) . . . . ?
N442 Co3 N611 C612 103.9(6) . . . . ?
N622 Co3 N611 C612 13.2(6) . . . . ?
N331 Co3 N611 C612 -78.1(6) . . . . ?
N342 Co3 N611 C616 13.7(7) . . . . ?
N431 Co3 N611 C616 -128(10) . . . . ?
N442 Co3 N611 C616 -88.6(7) . . . . ?
N622 Co3 N611 C616 -179.2(8) . . . . ?
N331 Co3 N611 C616 89.4(7) . . . . ?
C616 N611 C612 C613 -0.1(12) . . . . ?
Co3 N611 C612 C613 168.6(6) . . . . ?
C616 N611 C612 C623 179.4(8) . . . . ?
Co3 N611 C612 C623 -12.0(9) . . . . ?
N611 C612 C613 C614 -0.3(13) . . . . ?
C623 C612 C613 C614 -179.7(8) . . . . ?
C612 C613 C614 C615 1.2(14) . . . . ?
C613 C614 C615 C616 -1.8(14) . . . . ?
C612 N611 C616 C615 -0.5(13) . . . . ?
Co3 N611 C616 C615 -167.7(7) . . . . ?
C614 C615 C616 N611 1.4(15) . . . . ?
C625 N621 N622 C623 -0.2(9) . . . . ?
C626 N621 N622 C623 177.8(7) . . . . ?
C625 N621 N622 Co3 164.7(7) . . . . ?
C626 N621 N622 Co3 -17.3(12) . . . . ?
N342 Co3 N622 C623 34.8(11) . . . . ?
N431 Co3 N622 C623 168.6(5) . . . . ?
N442 Co3 N622 C623 -113.5(6) . . . . ?
N331 Co3 N622 C623 74.2(6) . . . . ?
N611 Co3 N622 C623 -12.6(5) . . . . ?
N342 Co3 N622 N621 -129.3(10) . . . . ?
N431 Co3 N622 N621 4.6(8) . . . . ?
N442 Co3 N622 N621 82.4(8) . . . . ?
N331 Co3 N622 N621 -89.9(8) . . . . ?
N611 Co3 N622 N621 -176.6(8) . . . . ?
N621 N622 C623 C624 0.0(10) . . . . ?
Co3 N622 C623 C624 -169.3(6) . . . . ?
N621 N622 C623 C612 179.9(7) . . . . ?
Co3 N622 C623 C612 10.6(9) . . . . ?
N611 C612 C623 N622 0.9(11) . . . . ?
C613 C612 C623 N622 -179.6(8) . . . . ?
N611 C612 C623 C624 -179.2(9) . . . . ?
C613 C612 C623 C624 0.3(15) . . . . ?
N622 C623 C624 C625 0.2(11) . . . . ?
C612 C623 C624 C625 -179.7(9) . . . . ?
N622 N621 C625 C624 0.3(11) . . . . ?
C626 N621 C625 C624 -177.5(8) . . . . ?
C623 C624 C625 N621 -0.3(11) . . . . ?
C625 N621 C626 C652 82.5(11) . . . 3_766 ?
N622 N621 C626 C652 -95.1(9) . . . 3_766 ?
N642 Co4 N631 C636 173.1(8) . . . . ?
N542 Co4 N631 C636 -95.3(8) . . . . ?
N531 Co4 N631 C636 -104(8) . . . . ?
N242 Co4 N631 C636 72.4(8) . . . . ?
N231 Co4 N631 C636 -2.9(8) . . . . ?
N642 Co4 N631 C632 0.4(6) . . . . ?
N542 Co4 N631 C632 92.0(6) . . . . ?
N531 Co4 N631 C632 83(8) . . . . ?
N242 Co4 N631 C632 -100.3(6) . . . . ?
N231 Co4 N631 C632 -175.6(6) . . . . ?
C636 N631 C632 C633 2.4(13) . . . . ?
Co4 N631 C632 C633 175.7(7) . . . . ?
C636 N631 C632 C643 -177.6(8) . . . . ?
Co4 N631 C632 C643 -4.2(9) . . . . ?
N631 C632 C633 C634 -2.2(14) . . . . ?
C643 C632 C633 C634 177.8(9) . . . . ?
C632 C633 C634 C635 2.3(15) . . . . ?
C633 C634 C635 C636 -2.7(16) . . . . ?
C632 N631 C636 C635 -2.8(14) . . . . ?
Co4 N631 C636 C635 -175.4(8) . . . . ?
C634 C635 C636 N631 3.0(16) . . . . ?
C645 N641 N642 C643 1.2(9) . . . . ?
C646 N641 N642 C643 -175.3(7) . . . . ?
C645 N641 N642 Co4 -170.7(7) . . . . ?
C646 N641 N642 Co4 12.8(12) . . . . ?
N631 Co4 N642 C643 3.8(6) . . . . ?
N542 Co4 N642 C643 -97.3(6) . . . . ?
N531 Co4 N642 C643 -174.3(5) . . . . ?
N242 Co4 N642 C643 92.5(6) . . . . ?
N231 Co4 N642 C643 43(3) . . . . ?
N631 Co4 N642 N641 175.3(9) . . . . ?
N542 Co4 N642 N641 74.2(8) . . . . ?
N531 Co4 N642 N641 -2.8(8) . . . . ?
N242 Co4 N642 N641 -96.0(8) . . . . ?
N231 Co4 N642 N641 -145(2) . . . . ?
N641 N642 C643 C644 -1.2(9) . . . . ?
Co4 N642 C643 C644 173.2(6) . . . . ?
N641 N642 C643 C632 178.2(7) . . . . ?
Co4 N642 C643 C632 -7.4(9) . . . . ?
N631 C632 C643 N642 7.8(11) . . . . ?
C633 C632 C643 N642 -172.1(8) . . . . ?
N631 C632 C643 C644 -173.0(9) . . . . ?
C633 C632 C643 C644 7.1(14) . . . . ?
N642 C643 C644 C645 0.7(10) . . . . ?
C632 C643 C644 C645 -178.5(9) . . . . ?
C643 C644 C645 N641 0.0(10) . . . . ?
N642 N641 C645 C644 -0.8(10) . . . . ?
C646 N641 C645 C644 175.4(8) . . . . ?
C645 N641 C646 C656 101.8(9) . . . . ?
N642 N641 C646 C656 -82.3(9) . . . . ?
C656 N651 C652 C653 -0.4(11) . . . . ?
C656 N651 C652 C626 176.6(7) . . . 3_766 ?
N651 C652 C653 C654 1.0(12) . . . . ?
C626 C652 C653 C654 -176.0(7) 3_766 . . . ?
C652 C653 C654 C655 -0.7(12) . . . . ?
C653 C654 C655 C656 -0.2(12) . . . . ?
C652 N651 C656 C655 -0.5(11) . . . . ?
C652 N651 C656 C646 179.3(6) . . . . ?
C654 C655 C656 N651 0.8(12) . . . . ?
C654 C655 C656 C646 -178.9(7) . . . . ?
N641 C646 C656 N651 168.0(6) . . . . ?
N641 C646 C656 C655 -12.2(10) . . . . ?
F14 B11 F12 F14 179.997(7) . . . 3_766 ?
F13 B11 F12 F14 123.0(8) . . . 3_766 ?
F13 B11 F12 F14 -57.0(8) 3_766 . . 3_766 ?
F15 B11 F12 F14 -117.9(8) 3_766 . . 3_766 ?
F15 B11 F12 F14 62.1(8) . . . 3_766 ?
F12 B11 F12 F14 -157(14) 3_766 . . 3_766 ?
F14 B11 F12 F13 -123.0(8) 3_766 . . . ?
F14 B11 F12 F13 57.0(8) . . . . ?
F13 B11 F12 F13 179.999(2) 3_766 . . . ?
F15 B11 F12 F13 119.1(8) 3_766 . . . ?
F15 B11 F12 F13 -60.9(8) . . . . ?
F12 B11 F12 F13 80(14) 3_766 . . . ?
F14 B11 F12 F15 117.9(8) 3_766 . . 3_766 ?
F14 B11 F12 F15 -62.1(8) . . . 3_766 ?
F13 B11 F12 F15 -119.1(8) . . . 3_766 ?
F13 B11 F12 F15 60.9(8) 3_766 . . 3_766 ?
F15 B11 F12 F15 179.996(5) . . . 3_766 ?
F12 B11 F12 F15 -39(14) 3_766 . . 3_766 ?
F14 B11 F13 F14 180.001(4) 3_766 . . . ?
F13 B11 F13 F14 102(4) 3_766 . . . ?
F15 B11 F13 F14 56.7(8) 3_766 . . . ?
F15 B11 F13 F14 -123.3(8) . . . . ?
F12 B11 F13 F14 119.9(8) . . . . ?
F12 B11 F13 F14 -60.1(8) 3_766 . . . ?
F14 B11 F13 F15 -56.7(8) 3_766 . . . ?
F14 B11 F13 F15 123.3(8) . . . . ?
F13 B11 F13 F15 -135(4) 3_766 . . . ?
F15 B11 F13 F15 180.003(2) 3_766 . . . ?
F12 B11 F13 F15 -116.8(8) . . . . ?
F12 B11 F13 F15 63.2(8) 3_766 . . . ?
F14 B11 F13 F12 60.1(8) 3_766 . . . ?
F14 B11 F13 F12 -119.9(8) . . . . ?
F13 B11 F13 F12 -18(3) 3_766 . . . ?
F15 B11 F13 F12 -63.2(8) 3_766 . . . ?
F15 B11 F13 F12 116.8(8) . . . . ?
F12 B11 F13 F12 180.003(2) 3_766 . . . ?
F14 F12 F13 B11 -38.6(6) 3_766 . . . ?
F15 F12 F13 B11 44.5(6) 3_766 . . . ?
B11 F12 F13 F14 -43.4(6) . . . . ?
F14 F12 F13 F14 -82.0(9) 3_766 . . . ?
F15 F12 F13 F14 1.1(8) 3_766 . . . ?
B11 F12 F13 F15 48.8(6) . . . . ?
F14 F12 F13 F15 10.2(8) 3_766 . . . ?
F15 F12 F13 F15 93.3(8) 3_766 . . . ?
F14 B11 F14 F13 10(12) 3_766 . . . ?
F13 B11 F14 F13 180.003(3) 3_766 . . . ?
F15 B11 F14 F13 -123.6(8) 3_766 . . . ?
F15 B11 F14 F13 56.4(8) . . . . ?
F12 B11 F14 F13 -59.4(8) . . . . ?
F12 B11 F14 F13 120.6(8) 3_766 . . . ?
F14 B11 F14 F15 134(12) 3_766 . . 3_766 ?
F13 B11 F14 F15 123.6(8) . . . 3_766 ?
F13 B11 F14 F15 -56.4(8) 3_766 . . 3_766 ?
F15 B11 F14 F15 180.001(2) . . . 3_766 ?
F12 B11 F14 F15 64.1(8) . . . 3_766 ?
F12 B11 F14 F15 -115.9(8) 3_766 . . 3_766 ?
F14 B11 F14 F12 -110(12) 3_766 . . 3_766 ?
F13 B11 F14 F12 -120.6(8) . . . 3_766 ?
F13 B11 F14 F12 59.4(8) 3_766 . . 3_766 ?
F15 B11 F14 F12 115.9(8) 3_766 . . 3_766 ?
F15 B11 F14 F12 -64.1(8) . . . 3_766 ?
F12 B11 F14 F12 179.999(6) . . . 3_766 ?
F15 F13 F14 B11 -44.8(6) . . . . ?
F12 F13 F14 B11 46.6(6) . . . . ?
B11 F13 F14 F15 -47.9(7) . . . 3_766 ?
F15 F13 F14 F15 -92.7(9) . . . 3_766 ?
F12 F13 F14 F15 -1.3(9) . . . 3_766 ?
B11 F13 F14 F12 48.8(6) . . . 3_766 ?
F15 F13 F14 F12 4.0(9) . . . 3_766 ?
F12 F13 F14 F12 95.4(8) . . . 3_766 ?
F14 B11 F15 F14 180.002(4) . . . 3_766 ?
F13 B11 F15 F14 -125.1(8) . . . 3_766 ?
F13 B11 F15 F14 54.9(8) 3_766 . . 3_766 ?
F15 B11 F15 F14 19(7) 3_766 . . 3_766 ?
F12 B11 F15 F14 -63.4(8) . . . 3_766 ?
F12 B11 F15 F14 116.6(8) 3_766 . . 3_766 ?
F14 B11 F15 F13 125.1(8) 3_766 . . . ?
F14 B11 F15 F13 -54.9(8) . . . . ?
F13 B11 F15 F13 179.998(2) 3_766 . . . ?
F15 B11 F15 F13 144(7) 3_766 . . . ?
F12 B11 F15 F13 61.7(7) . . . . ?
F12 B11 F15 F13 -118.3(7) 3_766 . . . ?
F14 B11 F15 F12 -116.6(8) 3_766 . . 3_766 ?
F14 B11 F15 F12 63.4(8) . . . 3_766 ?
F13 B11 F15 F12 118.3(8) . . . 3_766 ?
F13 B11 F15 F12 -61.7(8) 3_766 . . 3_766 ?
F15 B11 F15 F12 -97(7) 3_766 . . 3_766 ?
F12 B11 F15 F12 179.998(5) . . . 3_766 ?
F14 F13 F15 B11 41.5(6) . . . . ?
F12 F13 F15 B11 -48.4(6) . . . . ?
B11 F13 F15 F14 38.0(6) . . . 3_766 ?
F14 F13 F15 F14 79.5(10) . . . 3_766 ?
F12 F13 F15 F14 -10.4(8) . . . 3_766 ?
B11 F13 F15 F12 -45.2(6) . . . 3_766 ?
F14 F13 F15 F12 -3.7(8) . . . 3_766 ?
F12 F13 F15 F12 -93.6(8) . . . 3_766 ?
