#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/02/7210249.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_7210249
loop_
_publ_author_name
'Wang, Yu-Hong'
'Jiang, Jian-Bing'
'Wang, Peng'
'Sun, Xiao-Lu'
'Zhu, Qin-Yu'
'Dai, Jie'
_publ_section_title
;
 Polymeric supertetrahedral InS clusters assembled by new linkages
;
_journal_issue                   30
_journal_name_full               CrystEngComm
_journal_page_first              6040
_journal_paper_doi               10.1039/c3ce40270c
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C168 H408 Co17 In32 N56 O6 S68'
_chemical_formula_weight         10165.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.4540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.9417(10)
_cell_length_b                   26.2387(10)
_cell_length_c                   27.3488(11)
_cell_measurement_reflns_used    60758
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     16239.3(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0757
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            86962
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    3.543
_exptl_absorpt_correction_T_max  0.7183
_exptl_absorpt_correction_T_min  0.2602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication '
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             9026
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.248
_refine_diff_density_min         -2.944
_refine_diff_density_rms         0.292
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1335
_refine_ls_number_reflns         36866
_refine_ls_number_restraints     429
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.1141
_refine_ls_R_factor_gt           0.0814
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0550P)²+170.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1798
_refine_ls_wR_factor_ref         0.2020
_reflns_number_gt                25976
_reflns_number_total             36866
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40270c.txt
_cod_data_source_block           4
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c  '
_cod_database_code               7210249
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
In1 In 0.55881(4) 0.37871(3) 0.79937(3) 0.0483(2) Uani 1 1 d .
In2 In 0.41848(3) 0.31086(3) 0.82498(3) 0.03845(17) Uani 1 1 d .
In3 In 0.42231(3) 0.37844(3) 0.69499(3) 0.03892(17) Uani 1 1 d .
In4 In 0.42645(3) 0.46160(3) 0.81685(3) 0.03989(17) Uani 1 1 d .
In5 In 0.27580(3) 0.24915(3) 0.84703(3) 0.03662(17) Uani 1 1 d .
In6 In 0.28289(3) 0.38310(3) 0.59701(2) 0.03267(15) Uani 1 1 d .
In7 In 0.29299(3) 0.54071(3) 0.83782(3) 0.03985(17) Uani 1 1 d .
In8 In 0.13288(3) 0.18107(3) 0.87109(3) 0.03747(17) Uani 1 1 d .
In9 In 0.13623(3) 0.24778(3) 0.74247(2) 0.03355(16) Uani 1 1 d .
In10 In 0.13298(3) 0.33007(3) 0.86320(3) 0.03600(16) Uani 1 1 d .
In11 In 0.13396(3) 0.31631(3) 0.61992(2) 0.03206(15) Uani 1 1 d .
In12 In 0.14320(3) 0.47517(3) 0.86264(3) 0.03718(17) Uani 1 1 d .
In13 In 0.14091(3) 0.38640(3) 0.49648(2) 0.03186(15) Uani 1 1 d .
In14 In 0.14692(3) 0.46809(3) 0.61616(2) 0.03064(15) Uani 1 1 d .
In15 In 0.15278(3) 0.54399(3) 0.73380(3) 0.03478(16) Uani 1 1 d .
In16 In 0.16016(4) 0.61985(3) 0.85743(3) 0.04247(19) Uani 1 1 d .
S1 S 0.66796(15) 0.37083(16) 0.81929(18) 0.0772(12) Uani 1 1 d .
S2 S 0.52557(13) 0.30420(13) 0.83980(12) 0.0521(7) Uani 1 1 d .
S3 S 0.53042(13) 0.37342(13) 0.70797(12) 0.0514(7) Uani 1 1 d .
S4 S 0.53371(13) 0.46246(12) 0.82760(13) 0.0523(7) Uani 1 1 d .
S5 S 0.38189(13) 0.23895(12) 0.86623(12) 0.0491(7) Uani 1 1 d .
S6 S 0.37954(12) 0.30658(10) 0.73456(10) 0.0388(6) Uani 1 1 d .
S7 S 0.38349(12) 0.39112(11) 0.85961(10) 0.0391(6) Uani 1 1 d .
S8 S 0.39018(13) 0.37554(13) 0.60566(10) 0.0473(7) Uani 1 1 d .
S9 S 0.38812(11) 0.46023(10) 0.72688(10) 0.0380(6) Uani 1 1 d .
S10 S 0.40001(13) 0.54016(12) 0.85413(12) 0.0501(7) Uani 1 1 d .
S11 S 0.24017(13) 0.17862(11) 0.89130(10) 0.0424(6) Uani 1 1 d .
S12 S 0.24503(12) 0.24402(9) 0.75605(9) 0.0348(5) Uani 1 1 d .
S13 S 0.24321(12) 0.32925(10) 0.88220(9) 0.0383(6) Uani 1 1 d .
S14 S 0.24385(11) 0.31017(9) 0.63904(8) 0.0334(5) Uani 1 1 d .
S15 S 0.24760(10) 0.39223(9) 0.75525(8) 0.0289(5) Uani 1 1 d .
S16 S 0.25344(12) 0.46735(10) 0.87817(9) 0.0390(6) Uani 1 1 d .
S17 S 0.24889(12) 0.37774(11) 0.50874(9) 0.0378(6) Uani 1 1 d .
S18 S 0.25631(11) 0.46550(9) 0.63261(9) 0.0328(5) Uani 1 1 d .
S19 S 0.26238(12) 0.53939(9) 0.74622(10) 0.0373(6) Uani 1 1 d .
S20 S 0.26765(14) 0.62010(11) 0.87370(13) 0.0532(8) Uani 1 1 d .
S22 S 0.10061(12) 0.17256(10) 0.78110(9) 0.0374(6) Uani 1 1 d .
S23 S 0.09234(13) 0.25839(11) 0.90302(10) 0.0429(6) Uani 1 1 d .
S24 S 0.09326(13) 0.24186(10) 0.65554(9) 0.0397(6) Uani 1 1 d .
S25 S 0.09914(12) 0.32888(9) 0.77283(9) 0.0344(5) Uani 1 1 d .
S26 S 0.09944(14) 0.40506(11) 0.90173(11) 0.0469(7) Uani 1 1 d .
S27 S 0.10095(12) 0.31036(10) 0.53122(9) 0.0376(6) Uani 1 1 d .
S28 S 0.10302(11) 0.39629(9) 0.65668(8) 0.0318(5) Uani 1 1 d .
S29 S 0.11138(12) 0.46968(10) 0.77137(9) 0.0366(5) Uani 1 1 d .
S30 S 0.11036(14) 0.55333(11) 0.89644(11) 0.0487(7) Uani 1 1 d .
S31 S 0.09567(13) 0.39418(10) 0.40890(9) 0.0415(6) Uani 1 1 d .
S32 S 0.11046(12) 0.46828(9) 0.52778(8) 0.0339(5) Uani 1 1 d .
S33 S 0.11050(13) 0.54700(10) 0.64623(9) 0.0399(6) Uani 1 1 d .
S34 S 0.12441(13) 0.62445(10) 0.76719(10) 0.0402(6) Uani 1 1 d .
S35 S 0.1305(2) 0.70135(14) 0.89106(15) 0.0760(12) Uani 1 1 d .
Co1 Co 0.27794(6) 0.31739(5) 0.72298(5) 0.0299(3) Uani 1 1 d .
Co2 Co 0.28091(6) 0.39482(5) 0.83954(5) 0.0326(3) Uani 1 1 d .
Co3 Co 0.28584(6) 0.45997(5) 0.71747(5) 0.0297(3) Uani 1 1 d .
Co4 Co 0.14568(6) 0.39592(5) 0.73961(4) 0.0286(3) Uani 1 1 d .
Co5 Co 0.0000 0.5000 0.5000 0.0353(4) Uani 1 2 d S
Co6 Co -0.01058(7) 0.14875(6) 0.75718(5) 0.0418(3) Uani 1 1 d .
Co7 Co 0.64297(10) 0.94257(8) 0.10503(8) 0.0703(5) Uani 1 1 d .
Co8 Co 0.36867(13) 0.70542(10) 0.75718(10) 0.0967(8) Uani 1 1 d .
Co9 Co 0.5805(3) 0.4980(3) 0.9823(3) 0.268(3) Uiso 1 1 d .
N1 N 0.0253(5) 0.5233(4) 0.4342(3) 0.051(2) Uani 1 1 d U
N2 N 0.0265(4) 0.5713(3) 0.5247(4) 0.046(2) Uani 1 1 d U
N3 N -0.0349(6) 0.1857(6) 0.8196(5) 0.081(3) Uani 1 1 d U
N4 N -0.0330(5) 0.2196(4) 0.7232(5) 0.072(3) Uani 1 1 d U
N5 N 0.0140(5) 0.1070(4) 0.6972(4) 0.061(3) Uani 1 1 d U
N6 N 0.0107(5) 0.0804(4) 0.7958(5) 0.066(3) Uani 1 1 d U
N7 N 0.7284(6) 0.9575(5) 0.0860(5) 0.078(3) Uani 1 1 d U
N8 N 0.6158(7) 0.9987(5) 0.0466(6) 0.093(4) Uani 1 1 d U
N9 N 0.6234(5) 0.8803(4) 0.0534(4) 0.063(3) Uani 1 1 d .
N10 N 0.5512(6) 0.9280(5) 0.1127(5) 0.085(4) Uani 1 1 d .
N11 N 0.6796(6) 0.8959(5) 0.1683(5) 0.081(4) Uani 1 1 d .
N12 N 0.6547(7) 0.9999(5) 0.1640(5) 0.082(4) Uani 1 1 d .
N13 N 0.4071(11) 0.6312(9) 0.7572(9) 0.157(7) Uani 1 1 d U
N14 N 0.4638(11) 0.7289(10) 0.7706(11) 0.193(8) Uani 1 1 d U
N15 N 0.3591(9) 0.7204(7) 0.6784(6) 0.123(6) Uani 1 1 d U
N16 N 0.2793(8) 0.6782(7) 0.7363(6) 0.112(5) Uani 1 1 d U
N17 N 0.3409(12) 0.7833(8) 0.7708(8) 0.161(7) Uani 1 1 d U
N18 N 0.3629(10) 0.7079(8) 0.8393(7) 0.131(6) Uani 1 1 d U
N19 N 0.498(2) 0.407(2) 1.034(2) 0.39(3) Uiso 1 1 d .
N20 N 0.4793(12) 0.4571(10) 0.9665(10) 0.182(10) Uiso 1 1 d .
N21 N 0.5234(15) 0.3930(13) 0.9696(13) 0.243(14) Uiso 1 1 d .
N22 N 0.646(3) 0.467(2) 0.932(2) 0.42(3) Uiso 1 1 d .
N23 N 0.1976(8) 0.1834(7) 0.5619(7) 0.125(6) Uani 1 1 d .
N24 N 0.2180(5) 0.2540(4) 0.4885(4) 0.058(3) Uani 1 1 d .
N25 N 0.0868(9) 0.1781(7) 0.5006(6) 0.125(6) Uani 1 1 d .
N26 N 0.0930(12) 0.1231(9) 0.5918(9) 0.158(8) Uani 1 1 d .
C1 C 0.0497(9) 0.5987(6) 0.4857(7) 0.090(4) Uani 1 1 d U
C2 C 0.0649(8) 0.6540(6) 0.4956(7) 0.086(4) Uani 1 1 d U
C3 C 0.0887(11) 0.6796(7) 0.4522(9) 0.119(5) Uani 1 1 d U
C4 C 0.0821(11) 0.6583(8) 0.4070(8) 0.122(6) Uani 1 1 d U
C5 C 0.0652(9) 0.6009(6) 0.3963(6) 0.089(4) Uani 1 1 d U
C6 C 0.0427(9) 0.5775(6) 0.4411(6) 0.092(4) Uani 1 1 d U
C7 C -0.0505(12) 0.2404(9) 0.8030(9) 0.135(5) Uani 1 1 d U
C8 C -0.0788(13) 0.2688(10) 0.8442(10) 0.158(7) Uani 1 1 d U
C9 C -0.0937(16) 0.3215(12) 0.8242(13) 0.186(8) Uani 1 1 d U
C10 C -0.1148(16) 0.3311(11) 0.7766(13) 0.181(8) Uani 1 1 d U
C11 C -0.0816(13) 0.3028(8) 0.7425(11) 0.151(7) Uani 1 1 d U
C12 C -0.0584(12) 0.2522(8) 0.7549(10) 0.130(5) Uani 1 1 d U
C13 C 0.0209(8) 0.0514(6) 0.7147(6) 0.077(4) Uani 1 1 d U
C14 C 0.0555(9) 0.0179(7) 0.6823(8) 0.101(5) Uani 1 1 d U
C15 C 0.0620(11) -0.0344(8) 0.7002(10) 0.126(6) Uani 1 1 d U
C16 C 0.0870(13) -0.0375(8) 0.7533(11) 0.138(6) Uani 1 1 d U
C17 C 0.0498(10) -0.0066(7) 0.7885(8) 0.112(5) Uani 1 1 d U
C18 C 0.0409(9) 0.0494(7) 0.7681(7) 0.089(4) Uani 1 1 d U
C19 C 0.7238(10) 1.0048(8) 0.0544(9) 0.113(5) Uani 1 1 d U
C20 C 0.7779(10) 1.0218(8) 0.0377(9) 0.119(6) Uani 1 1 d U
C21 C 0.7681(12) 1.0737(10) 0.0065(11) 0.150(7) Uani 1 1 d U
C22 C 0.7108(13) 1.0781(12) -0.0227(12) 0.168(7) Uani 1 1 d U
C23 C 0.6597(11) 1.0623(10) -0.0048(10) 0.142(6) Uani 1 1 d U
C24 C 0.6675(10) 1.0086(9) 0.0215(9) 0.122(5) Uani 1 1 d U
C25 C 0.5588(7) 0.8727(6) 0.0398(6) 0.070(4) Uani 1 1 d .
C26 C 0.5407(7) 0.8249(6) 0.0129(6) 0.076(4) Uani 1 1 d .
C27 C 0.4711(8) 0.8183(9) 0.0031(8) 0.111(7) Uani 1 1 d .
C28 C 0.4486(9) 0.8194(8) 0.0541(10) 0.116(8) Uani 1 1 d .
C29 C 0.4663(8) 0.8704(8) 0.0832(10) 0.117(8) Uani 1 1 d .
C30 C 0.5351(7) 0.8775(7) 0.0910(7) 0.081(5) Uani 1 1 d .
C31 C 0.6900(10) 0.9264(7) 0.2140(6) 0.105(7) Uani 1 1 d .
C32 C 0.7401(10) 0.9017(7) 0.2538(7) 0.106(7) Uani 1 1 d .
C33 C 0.7480(14) 0.9370(10) 0.3011(9) 0.158(11) Uani 1 1 d .
C34 C 0.7564(15) 0.9905(12) 0.2894(12) 0.183(14) Uani 1 1 d .
C35 C 0.7060(12) 1.0141(8) 0.2485(8) 0.119(8) Uani 1 1 d .
C36 C 0.6983(11) 0.9803(7) 0.2024(7) 0.112(7) Uani 1 1 d .
C37 C 0.4723(18) 0.6405(15) 0.7795(14) 0.192(8) Uiso 1 1 d U
C38 C 0.513(2) 0.5953(18) 0.7616(17) 0.247(14) Uiso 1 1 d U
C39 C 0.575(2) 0.6085(17) 0.8145(17) 0.240(12) Uiso 1 1 d U
C40 C 0.5978(17) 0.6553(15) 0.7854(16) 0.240(9) Uani 1 1 d U
C41 C 0.5595(17) 0.6731(14) 0.7441(16) 0.237(8) Uani 1 1 d U
C42 C 0.4948(15) 0.6861(13) 0.7546(14) 0.201(7) Uani 1 1 d U
C43 C 0.3040(11) 0.7143(9) 0.6569(8) 0.123(5) Uani 1 1 d U
C44 C 0.2880(11) 0.7166(10) 0.5987(8) 0.130(6) Uani 1 1 d U
C45 C 0.2237(13) 0.7129(12) 0.5773(9) 0.151(7) Uani 1 1 d U
C46 C 0.1945(13) 0.6684(12) 0.6021(10) 0.165(7) Uani 1 1 d U
C47 C 0.2059(12) 0.6730(11) 0.6590(10) 0.150(7) Uani 1 1 d U
C48 C 0.2680(11) 0.6741(10) 0.6794(8) 0.129(5) Uani 1 1 d U
C49 C 0.3216(15) 0.7919(13) 0.8180(12) 0.166(6) Uani 1 1 d U
C50 C 0.2939(15) 0.8403(14) 0.8281(13) 0.177(8) Uiso 1 1 d U
C51 C 0.2668(17) 0.8395(14) 0.8683(15) 0.213(8) Uani 1 1 d U
C52 C 0.2896(17) 0.8093(14) 0.9113(14) 0.201(8) Uani 1 1 d U
C53 C 0.3224(15) 0.7573(12) 0.9032(12) 0.171(7) Uani 1 1 d U
C54 C 0.3262(15) 0.7544(14) 0.8458(13) 0.169(7) Uiso 1 1 d U
C55 C 0.2534(13) 0.1843(10) 0.5437(10) 0.145(10) Uani 1 1 d .
C56 C 0.3051(14) 0.1699(15) 0.5876(14) 0.208(18) Uani 1 1 d .
C57 C 0.3606(19) 0.1710(16) 0.568(2) 0.27(3) Uani 1 1 d .
C58 C 0.3775(12) 0.2264(15) 0.5484(14) 0.207(16) Uani 1 1 d .
C59 C 0.3261(8) 0.2406(8) 0.5066(8) 0.097(6) Uani 1 1 d .
C60 C 0.2664(10) 0.2342(9) 0.5265(7) 0.107(7) Uani 1 1 d .
C61 C 0.0300(14) 0.1806(10) 0.5277(9) 0.136(9) Uani 1 1 d .
C62 C -0.0301(12) 0.1905(12) 0.4923(9) 0.138(9) Uani 1 1 d .
C63 C -0.0430(15) 0.1391(14) 0.4576(9) 0.175(13) Uani 1 1 d .
C64 C -0.0389(14) 0.0890(12) 0.4875(10) 0.151(11) Uani 1 1 d .
C65 C 0.0219(16) 0.0833(12) 0.5208(10) 0.164(12) Uani 1 1 d .
C66 C 0.0288(14) 0.1304(9) 0.5587(9) 0.134(9) Uani 1 1 d .
O1 O 0.5067(11) 0.2242(10) 0.1278(8) 0.237(13) Uani 1 1 d .
O2 O 0.5376(6) 0.4986(5) 0.7086(5) 0.109(4) Uani 1 1 d .
O3 O 0.5599(9) 0.4176(8) 0.6011(6) 0.164(7) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
S4 In1 S2 118.34(12) . .
S4 In1 S3 109.51(12) . .
S2 In1 S3 111.31(12) . .
S4 In1 S1 106.79(12) . .
S2 In1 S1 102.35(13) . .
S3 In1 S1 107.75(13) . .
S5 In2 S2 106.56(11) . .
S5 In2 S6 109.43(10) . .
S2 In2 S6 110.52(10) . .
S5 In2 S7 108.86(10) . .
S2 In2 S7 112.15(11) . .
S6 In2 S7 109.25(9) . .
S8 In3 S3 106.03(10) . .
S8 In3 S6 109.94(10) . .
S3 In3 S6 111.28(10) . .
S8 In3 S9 108.50(10) . .
S3 In3 S9 111.40(11) . .
S6 In3 S9 109.59(9) . .
S10 In4 S4 105.07(11) . .
S10 In4 S9 111.02(10) . .
S4 In4 S9 107.94(10) . .
S10 In4 S7 106.87(10) . .
S4 In4 S7 115.04(11) . .
S9 In4 S7 110.77(9) . .
S5 In5 S11 102.52(10) . .
S5 In5 S12 108.83(10) . .
S11 In5 S12 113.35(9) . .
S5 In5 S13 111.50(11) . .
S11 In5 S13 107.79(10) . .
S12 In5 S13 112.45(9) . .
S17 In6 S8 104.30(9) . .
S17 In6 S14 109.69(9) . .
S8 In6 S14 109.16(10) . .
S17 In6 S18 112.45(9) . .
S8 In6 S18 109.92(10) . .
S14 In6 S18 111.08(8) . .
S20 In7 S10 103.58(11) . .
S20 In7 S16 111.16(11) . .
S10 In7 S16 110.45(11) . .
S20 In7 S19 111.98(11) . .
S10 In7 S19 107.17(10) . .
S16 In7 S19 112.09(9) . .
S11 In8 S31 107.03(10) . 4_566
S11 In8 S23 111.70(10) . .
S31 In8 S23 109.76(10) 4_566 .
S11 In8 S22 110.59(10) . .
S31 In8 S22 106.32(9) 4_566 .
S23 In8 S22 111.22(10) . .
S24 In9 S22 105.16(9) . .
S24 In9 S12 112.57(9) . .
S22 In9 S12 107.76(9) . .
S24 In9 S25 106.03(9) . .
S22 In9 S25 112.97(9) . .
S12 In9 S25 112.21(9) . .
S26 In10 S23 105.14(10) . .
S26 In10 S25 112.14(10) . .
S23 In10 S25 110.98(9) . .
S26 In10 S13 107.48(10) . .
S23 In10 S13 110.45(10) . .
S25 In10 S13 110.48(9) . .
S27 In11 S24 105.73(9) . .
S27 In11 S28 113.38(9) . .
S24 In11 S28 111.24(9) . .
S27 In11 S14 110.14(9) . .
S24 In11 S14 107.76(9) . .
S28 In11 S14 108.44(8) . .
S30 In12 S26 107.27(10) . .
S30 In12 S29 111.96(10) . .
S26 In12 S29 108.89(10) . .
S30 In12 S16 111.96(10) . .
S26 In12 S16 110.04(10) . .
S29 In12 S16 106.70(9) . .
S27 In13 S17 107.75(9) . .
S27 In13 S32 115.53(9) . .
S17 In13 S32 111.82(9) . .
S27 In13 S31 108.68(10) . .
S17 In13 S31 113.32(9) . .
S32 In13 S31 99.69(8) . .
S32 In14 S33 104.74(8) . .
S32 In14 S18 110.76(9) . .
S33 In14 S18 110.91(9) . .
S32 In14 S28 110.35(9) . .
S33 In14 S28 107.99(9) . .
S18 In14 S28 111.82(8) . .
S34 In15 S33 104.69(9) . .
S34 In15 S29 112.64(9) . .
S33 In15 S29 108.50(10) . .
S34 In15 S19 108.56(9) . .
S33 In15 S19 111.54(10) . .
S29 In15 S19 110.80(9) . .
S30 In16 S20 117.24(12) . .
S30 In16 S35 106.31(13) . .
S20 In16 S35 105.24(13) . .
S30 In16 S34 111.77(11) . .
S20 In16 S34 110.03(11) . .
S35 In16 S34 105.26(11) . .
In2 S2 In1 104.51(11) . .
In3 S3 In1 103.58(11) . .
In4 S4 In1 103.97(12) . .
In2 S5 In5 103.09(11) . .
Co1 S6 In3 108.14(11) . .
Co1 S6 In2 108.60(11) . .
In3 S6 In2 107.38(11) . .
Co2 S7 In4 108.82(11) . .
Co2 S7 In2 108.75(11) . .
In4 S7 In2 105.85(10) . .
In3 S8 In6 103.24(10) . .
Co3 S9 In4 107.36(11) . .
Co3 S9 In3 109.25(11) . .
In4 S9 In3 106.25(10) . .
In4 S10 In7 104.13(11) . .
In5 S11 In8 106.12(10) . .
Co1 S12 In9 107.22(10) . .
Co1 S12 In5 106.92(10) . .
In9 S12 In5 105.29(9) . .
Co2 S13 In5 105.79(11) . .
Co2 S13 In10 109.69(11) . .
In5 S13 In10 106.64(10) . .
Co1 S14 In6 108.01(10) . .
Co1 S14 In11 111.64(10) . .
In6 S14 In11 106.45(9) . .
Co3 S15 Co1 108.95(10) . .
Co3 S15 Co2 109.74(10) . .
Co1 S15 Co2 109.63(10) . .
Co3 S15 Co4 109.49(10) . .
Co1 S15 Co4 108.96(10) . .
Co2 S15 Co4 110.06(10) . .
Co2 S16 In7 106.86(11) . .
Co2 S16 In12 109.47(11) . .
In7 S16 In12 107.22(10) . .
In6 S17 In13 106.50(9) . .
Co3 S18 In14 107.76(10) . .
Co3 S18 In6 106.73(10) . .
In14 S18 In6 105.01(9) . .
Co3 S19 In15 106.44(11) . .
Co3 S19 In7 108.10(11) . .
In15 S19 In7 104.42(10) . .
In7 S20 In16 103.17(11) . .
In9 S22 In8 107.00(10) . .
In9 S22 Co6 117.97(11) . .
In8 S22 Co6 113.24(10) . .
In10 S23 In8 106.52(10) . .
In9 S24 In11 102.70(10) . .
Co4 S25 In10 107.08(10) . .
Co4 S25 In9 108.28(10) . .
In10 S25 In9 106.09(10) . .
In10 S26 In12 103.93(10) . .
In11 S27 In13 105.07(10) . .
Co4 S28 In11 106.86(10) . .
Co4 S28 In14 107.63(10) . .
In11 S28 In14 107.29(9) . .
Co4 S29 In15 109.09(11) . .
Co4 S29 In12 111.33(11) . .
In15 S29 In12 107.63(10) . .
In12 S30 In16 104.06(11) . .
In8 S31 In13 102.95(10) 4_565 .
In14 S32 In13 105.93(9) . .
In14 S32 Co5 116.26(9) . .
In13 S32 Co5 119.13(10) . .
In14 S33 In15 101.66(9) . .
In15 S34 In16 105.50(10) . .
In15 S34 Co6 115.20(11) . 2_556
In16 S34 Co6 114.34(11) . 2_556
S12 Co1 S15 114.96(10) . .
S12 Co1 S14 104.02(10) . .
S15 Co1 S14 112.09(10) . .
S12 Co1 S6 103.35(11) . .
S15 Co1 S6 114.32(10) . .
S14 Co1 S6 107.13(10) . .
S15 Co2 S16 114.21(10) . .
S15 Co2 S13 112.98(10) . .
S16 Co2 S13 103.18(11) . .
S15 Co2 S7 112.96(10) . .
S16 Co2 S7 105.49(11) . .
S13 Co2 S7 107.21(11) . .
S15 Co3 S18 115.38(10) . .
S15 Co3 S9 113.96(10) . .
S18 Co3 S9 103.62(10) . .
S15 Co3 S19 114.50(10) . .
S18 Co3 S19 103.74(10) . .
S9 Co3 S19 104.27(11) . .
S15 Co4 S29 111.25(10) . .
S15 Co4 S28 115.69(10) . .
S29 Co4 S28 104.42(10) . .
S15 Co4 S25 114.39(10) . .
S29 Co4 S25 106.30(10) . .
S28 Co4 S25 103.83(10) . .
N2 Co5 N2 180.000(1) 3_566 .
N2 Co5 N1 95.4(4) 3_566 .
N2 Co5 N1 84.6(4) . .
N2 Co5 N1 84.6(4) 3_566 3_566
N2 Co5 N1 95.4(4) . 3_566
N1 Co5 N1 180.000(2) . 3_566
N2 Co5 S32 88.5(3) 3_566 3_566
N2 Co5 S32 91.5(3) . 3_566
N1 Co5 S32 92.8(3) . 3_566
N1 Co5 S32 87.2(3) 3_566 3_566
N2 Co5 S32 91.5(3) 3_566 .
N2 Co5 S32 88.5(3) . .
N1 Co5 S32 87.2(3) . .
N1 Co5 S32 92.8(3) 3_566 .
S32 Co5 S32 180.0 3_566 .
N6 Co6 N4 176.0(5) . .
N6 Co6 N3 93.2(6) . .
N4 Co6 N3 82.8(6) . .
N6 Co6 N5 83.0(5) . .
N4 Co6 N5 101.0(5) . .
N3 Co6 N5 176.2(5) . .
N6 Co6 S22 86.7(3) . .
N4 Co6 S22 93.3(3) . .
N3 Co6 S22 93.7(4) . .
N5 Co6 S22 86.8(3) . .
N6 Co6 S34 93.3(3) . 2_546
N4 Co6 S34 86.7(3) . 2_546
N3 Co6 S34 86.2(4) . 2_546
N5 Co6 S34 93.3(3) . 2_546
S22 Co6 S34 179.92(13) . 2_546
N7 Co7 N9 94.6(5) . .
N7 Co7 N11 92.7(5) . .
N9 Co7 N11 96.1(5) . .
N7 Co7 N10 171.6(6) . .
N9 Co7 N10 80.2(5) . .
N11 Co7 N10 94.4(6) . .
N7 Co7 N8 82.1(5) . .
N9 Co7 N8 91.6(5) . .
N11 Co7 N8 171.0(6) . .
N10 Co7 N8 91.4(6) . .
N7 Co7 N12 92.7(5) . .
N9 Co7 N12 171.6(5) . .
N11 Co7 N12 79.3(5) . .
N10 Co7 N12 93.1(5) . .
N8 Co7 N12 93.6(5) . .
N13 Co8 N16 94.1(8) . .
N13 Co8 N15 98.0(9) . .
N16 Co8 N15 82.0(6) . .
N13 Co8 N17 168.9(10) . .
N16 Co8 N17 93.7(9) . .
N15 Co8 N17 90.9(8) . .
N13 Co8 N14 81.9(10) . .
N16 Co8 N14 173.0(10) . .
N15 Co8 N14 92.9(8) . .
N17 Co8 N14 91.1(10) . .
N13 Co8 N18 96.7(8) . .
N16 Co8 N18 93.7(7) . .
N15 Co8 N18 164.9(8) . .
N17 Co8 N18 74.9(8) . .
N14 Co8 N18 92.5(9) . .
N22 Co9 N20 170.7(17) . 3_667
C6 N1 Co5 106.2(8) . .
C1 N2 Co5 109.6(8) . .
C7 N3 Co6 105.7(12) . .
C12 N4 Co6 111.1(12) . .
C13 N5 Co6 106.1(8) . .
C18 N6 Co6 108.9(10) . .
C19 N7 Co7 108.0(11) . .
C24 N8 Co7 107.5(12) . .
C25 N9 Co7 111.0(9) . .
C30 N10 Co7 107.5(9) . .
C31 N11 Co7 111.0(10) . .
C36 N12 Co7 106.4(10) . .
C37 N13 Co8 103.3(19) . .
C42 N14 Co8 105(2) . .
C43 N15 Co8 110.9(14) . .
C48 N16 Co8 106.6(12) . .
C49 N17 Co8 115.8(18) . .
C54 N18 Co8 105.3(18) . .
C6 C1 N2 117.5(13) . .
C6 C1 C2 123.9(15) . .
N2 C1 C2 116.5(14) . .
C1 C2 C3 112.5(15) . .
C4 C3 C2 121.9(16) . .
C3 C4 C5 123.8(16) . .
C6 C5 C4 109.9(15) . .
C1 C6 N1 120.7(13) . .
C1 C6 C5 124.1(15) . .
N1 C6 C5 113.6(14) . .
C12 C7 N3 119.8(18) . .
C12 C7 C8 126(2) . .
N3 C7 C8 110(2) . .
C9 C8 C7 106(2) . .
C10 C9 C8 124(3) . .
C9 C10 C11 112(3) . .
C12 C11 C10 121(3) . .
C7 C12 N4 117.6(19) . .
C7 C12 C11 115(2) . .
N4 C12 C11 126(2) . .
C18 C13 N5 110.2(13) . .
C18 C13 C14 116.4(15) . .
N5 C13 C14 113.3(13) . .
C15 C14 C13 112.0(18) . .
C14 C15 C16 113(2) . .
C15 C16 C17 114(2) . .
C18 C17 C16 108.1(17) . .
N6 C18 C13 115.3(16) . .
N6 C18 C17 113.9(15) . .
C13 C18 C17 112.9(16) . .
C24 C19 C20 120(2) . .
C24 C19 N7 112.6(17) . .
C20 C19 N7 116.7(18) . .
C19 C20 C21 112.0(19) . .
C22 C21 C20 114(2) . .
C23 C22 C21 122(3) . .
C22 C23 C24 113(2) . .
C19 C24 N8 113.5(19) . .
C19 C24 C23 111.5(19) . .
N8 C24 C23 109.1(18) . .
C26 C25 N9 115.3(13) . .
C26 C25 C30 113.4(13) . .
N9 C25 C30 103.9(12) . .
C25 C26 C27 111.8(15) . .
C28 C27 C26 108.5(16) . .
C27 C28 C29 111.7(18) . .
C30 C29 C28 109.8(15) . .
N10 C30 C29 110.0(14) . .
N10 C30 C25 109.1(13) . .
C29 C30 C25 110.6(16) . .
N11 C31 C36 110.5(15) . .
N11 C31 C32 111.1(14) . .
C36 C31 C32 115.8(18) . .
C33 C32 C31 107.2(17) . .
C34 C33 C32 113(2) . .
C33 C34 C35 115(2) . .
C36 C35 C34 109(2) . .
N12 C36 C31 113.9(18) . .
N12 C36 C35 111.8(16) . .
C31 C36 C35 112.5(17) . .
C42 C37 N13 109(3) . .
C42 C37 C38 101(3) . .
N13 C37 C38 109(3) . .
C37 C38 C39 92(3) . .
C40 C39 C38 91(3) . .
C41 C40 C39 117(4) . .
C40 C41 C42 114(3) . .
N14 C42 C37 105(3) . .
N14 C42 C41 138(3) . .
C37 C42 C41 108(3) . .
N15 C43 C48 116.5(19) . .
N15 C43 C44 120(2) . .
C48 C43 C44 112.3(19) . .
C45 C44 C43 116(2) . .
C44 C45 C46 110(2) . .
C47 C46 C45 112(2) . .
C48 C47 C46 113(2) . .
C47 C48 C43 115(2) . .
C47 C48 N16 113(2) . .
C43 C48 N16 110.2(18) . .
C54 C49 N17 115(3) . .
C54 C49 C50 125(3) . .
N17 C49 C50 120(3) . .
C51 C50 C49 114(3) . .
C50 C51 C52 121(3) . .
C51 C52 C53 118(3) . .
C54 C53 C52 106(3) . .
C49 C54 N18 124(3) . .
C49 C54 C53 124(3) . .
N18 C54 C53 106(3) . .
C60 C55 N23 112(2) . .
C60 C55 C56 107(3) . .
N23 C55 C56 109(2) . .
C57 C56 C55 108(3) . .
C56 C57 C58 114(4) . .
C59 C58 C57 106(3) . .
C58 C59 C60 109(2) . .
C55 C60 N24 112(2) . .
C55 C60 C59 116.9(19) . .
N24 C60 C59 108.5(15) . .
C66 C61 C62 112(2) . .
C66 C61 N25 108(2) . .
C62 C61 N25 114.8(18) . .
C61 C62 C63 106(2) . .
C64 C63 C62 114(2) . .
C65 C64 C63 111(2) . .
C64 C65 C66 107(3) . .
C61 C66 C65 107.9(19) . .
C61 C66 N26 108(2) . .
C65 C66 N26 105(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
In1 S4 2.430(3) .
In1 S2 2.430(3) .
In1 S3 2.481(3) .
In1 S1 2.482(4) .
In2 S5 2.419(3) .
In2 S2 2.430(3) .
In2 S6 2.490(3) .
In2 S7 2.495(3) .
In3 S8 2.434(3) .
In3 S3 2.451(3) .
In3 S6 2.457(3) .
In3 S9 2.491(3) .
In4 S10 2.421(3) .
In4 S4 2.430(3) .
In4 S9 2.473(3) .
In4 S7 2.478(3) .
In5 S5 2.419(3) .
In5 S11 2.425(3) .
In5 S12 2.476(3) .
In5 S13 2.478(3) .
In6 S17 2.416(2) .
In6 S8 2.442(3) .
In6 S14 2.475(3) .
In6 S18 2.488(3) .
In7 S20 2.414(3) .
In7 S10 2.422(3) .
In7 S16 2.465(3) .
In7 S19 2.488(3) .
In8 S11 2.433(3) .
In8 S31 2.447(3) 4_566
In8 S23 2.452(3) .
In8 S22 2.461(3) .
In9 S24 2.424(3) .
In9 S22 2.442(2) .
In9 S12 2.464(3) .
In9 S25 2.485(3) .
In10 S26 2.417(3) .
In10 S23 2.434(3) .
In10 S25 2.466(2) .
In10 S13 2.497(3) .
In11 S27 2.425(2) .
In11 S24 2.436(3) .
In11 S28 2.481(3) .
In11 S14 2.494(3) .
In12 S30 2.420(3) .
In12 S26 2.426(3) .
In12 S29 2.487(3) .
In12 S16 2.503(3) .
In13 S27 2.452(3) .
In13 S17 2.455(3) .
In13 S32 2.456(2) .
In13 S31 2.457(2) .
In14 S32 2.424(2) .
In14 S33 2.427(3) .
In14 S18 2.477(3) .
In14 S28 2.481(2) .
In15 S34 2.431(3) .
In15 S33 2.433(3) .
In15 S29 2.466(3) .
In15 S19 2.484(3) .
In16 S30 2.427(3) .
In16 S20 2.433(3) .
In16 S35 2.467(3) .
In16 S34 2.473(3) .
S6 Co1 2.318(3) .
S7 Co2 2.329(3) .
S9 Co3 2.318(3) .
S12 Co1 2.306(3) .
S13 Co2 2.324(3) .
S14 Co1 2.308(3) .
S15 Co3 2.301(3) .
S15 Co1 2.307(3) .
S15 Co2 2.307(3) .
S15 Co4 2.309(3) .
S16 Co2 2.314(3) .
S18 Co3 2.313(3) .
S19 Co3 2.321(3) .
S22 Co6 2.603(3) .
S25 Co4 2.319(3) .
S28 Co4 2.318(3) .
S29 Co4 2.312(3) .
S31 In8 2.447(3) 4_565
S32 Co5 2.657(3) .
S34 Co6 2.664(3) 2_556
Co5 N2 2.048(9) 3_566
Co5 N2 2.048(9) .
Co5 N1 2.072(9) .
Co5 N1 2.072(9) 3_566
Co5 S32 2.657(3) 3_566
Co6 N6 2.098(11) .
Co6 N4 2.104(11) .
Co6 N3 2.117(12) .
Co6 N5 2.123(11) .
Co6 S34 2.664(3) 2_546
Co7 N7 2.143(13) .
Co7 N9 2.158(11) .
Co7 N11 2.173(14) .
Co7 N10 2.183(14) .
Co7 N8 2.187(14) .
Co7 N12 2.189(12) .
Co8 N13 2.14(2) .
Co8 N16 2.157(17) .
Co8 N15 2.165(16) .
Co8 N17 2.19(2) .
Co8 N14 2.24(3) .
Co8 N18 2.273(18) .
Co9 N22 2.35(6) .
Co9 N20 2.42(3) 3_667
N1 C6 1.481(18) .
N2 C1 1.456(18) .
N3 C7 1.53(3) .
N4 C12 1.41(2) .
N5 C13 1.535(18) .
N6 C18 1.37(2) .
N7 C19 1.51(2) .
N8 C24 1.49(2) .
N9 C25 1.481(18) .
N10 C30 1.47(2) .
N11 C31 1.47(2) .
N12 C36 1.42(2) .
N13 C37 1.54(4) .
N14 C42 1.44(4) .
N15 C43 1.31(3) .
N16 C48 1.54(3) .
N17 C49 1.45(3) .
N18 C54 1.51(4) .
N20 Co9 2.42(3) 3_667
N23 C55 1.45(3) .
N24 C60 1.49(2) .
N25 C61 1.60(3) .
N26 C66 1.61(3) .
C1 C6 1.33(2) .
C1 C2 1.50(2) .
C2 C3 1.54(2) .
C3 C4 1.34(3) .
C4 C5 1.57(2) .
C5 C6 1.534(19) .
C7 C12 1.33(3) .
C7 C8 1.58(3) .
C8 C9 1.50(4) .
C9 C10 1.33(4) .
C10 C11 1.49(4) .
C11 C12 1.45(3) .
C13 C18 1.46(2) .
C13 C14 1.56(2) .
C14 C15 1.46(3) .
C15 C16 1.47(3) .
C16 C17 1.61(3) .
C17 C18 1.57(2) .
C19 C24 1.45(3) .
C19 C20 1.46(3) .
C20 C21 1.60(3) .
C21 C22 1.43(3) .
C22 C23 1.41(3) .
C23 C24 1.58(3) .
C25 C26 1.48(2) .
C25 C30 1.59(2) .
C26 C27 1.58(2) .
C27 C28 1.57(3) .
C28 C29 1.58(3) .
C29 C30 1.57(2) .
C31 C36 1.47(3) .
C31 C32 1.59(2) .
C32 C33 1.58(3) .
C33 C34 1.46(3) .
C34 C35 1.60(3) .
C35 C36 1.53(2) .
C37 C42 1.51(4) .
C37 C38 1.63(5) .
C38 C39 1.89(6) .
C39 C40 1.60(5) .
C40 C41 1.39(5) .
C41 C42 1.60(4) .
C43 C48 1.53(3) .
C43 C44 1.58(3) .
C44 C45 1.50(3) .
C45 C46 1.56(3) .
C46 C47 1.54(3) .
C47 C48 1.44(3) .
C49 C54 1.24(4) .
C49 C50 1.47(4) .
C50 C51 1.35(4) .
C51 C52 1.44(4) .
C52 C53 1.59(4) .
C53 C54 1.59(4) .
C55 C60 1.44(3) .
C55 C56 1.59(4) .
C56 C57 1.46(5) .
C57 C58 1.62(4) .
C58 C59 1.55(3) .
C59 C60 1.56(3) .
C61 C66 1.57(3) .
C61 C62 1.57(4) .
C62 C63 1.65(4) .
C63 C64 1.54(4) .
C64 C65 1.54(4) .
C65 C66 1.60(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
S5 In2 S2 In1 -178.45(12) . .
S6 In2 S2 In1 62.75(15) . .
S7 In2 S2 In1 -59.42(15) . .
S4 In1 S2 In2 60.70(16) . .
S3 In1 S2 In2 -67.44(14) . .
S1 In1 S2 In2 177.70(14) . .
S8 In3 S3 In1 178.70(12) . .
S6 In3 S3 In1 -61.78(14) . .
S9 In3 S3 In1 60.84(14) . .
S4 In1 S3 In3 -66.31(15) . .
S2 In1 S3 In3 66.43(15) . .
S1 In1 S3 In3 177.89(13) . .
S10 In4 S4 In1 173.05(12) . .
S9 In4 S4 In1 -68.42(14) . .
S7 In4 S4 In1 55.82(15) . .
S2 In1 S4 In4 -57.87(16) . .
S3 In1 S4 In4 71.11(14) . .
S1 In1 S4 In4 -172.48(15) . .
S2 In2 S5 In5 -178.73(12) . .
S6 In2 S5 In5 -59.22(14) . .
S7 In2 S5 In5 60.12(14) . .
S11 In5 S5 In2 -177.91(11) . .
S12 In5 S5 In2 61.78(14) . .
S13 In5 S5 In2 -62.84(14) . .
S8 In3 S6 Co1 -65.43(13) . .
S3 In3 S6 Co1 177.41(11) . .
S9 In3 S6 Co1 53.75(13) . .
S8 In3 S6 In2 177.56(10) . .
S3 In3 S6 In2 60.39(13) . .
S9 In3 S6 In2 -63.26(12) . .
S5 In2 S6 Co1 65.88(14) . .
S2 In2 S6 Co1 -177.08(11) . .
S7 In2 S6 Co1 -53.22(13) . .
S5 In2 S6 In3 -177.41(10) . .
S2 In2 S6 In3 -60.37(13) . .
S7 In2 S6 In3 63.49(12) . .
S10 In4 S7 Co2 67.73(13) . .
S4 In4 S7 Co2 -176.07(11) . .
S9 In4 S7 Co2 -53.32(13) . .
S10 In4 S7 In2 -175.55(10) . .
S4 In4 S7 In2 -59.34(13) . .
S9 In4 S7 In2 63.40(12) . .
S5 In2 S7 Co2 -65.17(13) . .
S2 In2 S7 Co2 177.17(11) . .
S6 In2 S7 Co2 54.28(13) . .
S5 In2 S7 In4 178.05(10) . .
S2 In2 S7 In4 60.39(13) . .
S6 In2 S7 In4 -62.50(12) . .
S3 In3 S8 In6 -178.51(12) . .
S6 In3 S8 In6 61.10(14) . .
S9 In3 S8 In6 -58.74(14) . .
S17 In6 S8 In3 -178.30(11) . .
S14 In6 S8 In3 -61.12(13) . .
S18 In6 S8 In3 60.94(13) . .
S10 In4 S9 Co3 -64.97(14) . .
S4 In4 S9 Co3 -179.63(11) . .
S7 In4 S9 Co3 53.59(13) . .
S10 In4 S9 In3 178.22(10) . .
S4 In4 S9 In3 63.56(13) . .
S7 In4 S9 In3 -63.21(12) . .
S8 In3 S9 Co3 66.97(13) . .
S3 In3 S9 Co3 -176.68(11) . .
S6 In3 S9 Co3 -53.09(13) . .
S8 In3 S9 In4 -177.50(10) . .
S3 In3 S9 In4 -61.14(13) . .
S6 In3 S9 In4 62.44(12) . .
S4 In4 S10 In7 176.29(12) . .
S9 In4 S10 In7 59.85(14) . .
S7 In4 S10 In7 -61.05(14) . .
S20 In7 S10 In4 -178.82(12) . .
S16 In7 S10 In4 62.07(14) . .
S19 In7 S10 In4 -60.29(14) . .
S5 In5 S11 In8 -176.63(11) . .
S12 In5 S11 In8 -59.50(13) . .
S13 In5 S11 In8 65.62(12) . .
S31 In8 S11 In5 174.86(10) 4_566 .
S23 In8 S11 In5 -64.98(13) . .
S22 In8 S11 In5 59.46(13) . .
S24 In9 S12 Co1 67.46(12) . .
S22 In9 S12 Co1 -177.05(10) . .
S25 In9 S12 Co1 -52.06(12) . .
S24 In9 S12 In5 -178.92(9) . .
S22 In9 S12 In5 -63.43(11) . .
S25 In9 S12 In5 61.55(11) . .
S5 In5 S12 Co1 -70.72(13) . .
S11 In5 S12 Co1 175.91(10) . .
S13 In5 S12 Co1 53.33(13) . .
S5 In5 S12 In9 175.45(10) . .
S11 In5 S12 In9 62.08(12) . .
S13 In5 S12 In9 -60.50(12) . .
S5 In5 S13 Co2 66.78(13) . .
S11 In5 S13 Co2 178.56(10) . .
S12 In5 S13 Co2 -55.78(13) . .
S5 In5 S13 In10 -176.49(9) . .
S11 In5 S13 In10 -64.70(12) . .
S12 In5 S13 In10 60.95(12) . .
S26 In10 S13 Co2 -69.56(13) . .
S23 In10 S13 Co2 176.25(10) . .
S25 In10 S13 Co2 53.08(13) . .
S26 In10 S13 In5 176.32(9) . .
S23 In10 S13 In5 62.13(12) . .
S25 In10 S13 In5 -61.04(11) . .
S17 In6 S14 Co1 179.90(10) . .
S8 In6 S14 Co1 66.20(13) . .
S18 In6 S14 Co1 -55.16(13) . .
S17 In6 S14 In11 -60.08(11) . .
S8 In6 S14 In11 -173.79(9) . .
S18 In6 S14 In11 64.85(11) . .
S27 In11 S14 Co1 178.75(10) . .
S24 In11 S14 Co1 -66.37(12) . .
S28 In11 S14 Co1 54.16(12) . .
S27 In11 S14 In6 61.11(11) . .
S24 In11 S14 In6 175.99(9) . .
S28 In11 S14 In6 -63.49(10) . .
S20 In7 S16 Co2 179.69(11) . .
S10 In7 S16 Co2 -65.91(13) . .
S19 In7 S16 Co2 53.52(13) . .
S20 In7 S16 In12 62.40(13) . .
S10 In7 S16 In12 176.79(10) . .
S19 In7 S16 In12 -63.77(12) . .
S30 In12 S16 Co2 -175.73(11) . .
S26 In12 S16 Co2 65.07(13) . .
S29 In12 S16 Co2 -52.91(13) . .
S30 In12 S16 In7 -60.15(13) . .
S26 In12 S16 In7 -179.35(9) . .
S29 In12 S16 In7 62.66(11) . .
S8 In6 S17 In13 -179.13(11) . .
S14 In6 S17 In13 64.07(12) . .
S18 In6 S17 In13 -60.07(13) . .
S27 In13 S17 In6 -67.70(12) . .
S32 In13 S17 In6 60.29(12) . .
S31 In13 S17 In6 172.02(10) . .
S32 In14 S18 Co3 -176.26(9) . .
S33 In14 S18 Co3 67.88(12) . .
S28 In14 S18 Co3 -52.72(12) . .
S32 In14 S18 In6 -62.75(11) . .
S33 In14 S18 In6 -178.61(8) . .
S28 In14 S18 In6 60.78(11) . .
S17 In6 S18 Co3 175.43(10) . .
S8 In6 S18 Co3 -68.85(12) . .
S14 In6 S18 Co3 52.06(12) . .
S17 In6 S18 In14 61.21(11) . .
S8 In6 S18 In14 176.92(9) . .
S14 In6 S18 In14 -62.16(11) . .
S34 In15 S19 Co3 176.95(10) . .
S33 In15 S19 Co3 -68.22(12) . .
S29 In15 S19 Co3 52.77(13) . .
S34 In15 S19 In7 62.72(11) . .
S33 In15 S19 In7 177.56(9) . .
S29 In15 S19 In7 -61.46(11) . .
S20 In7 S19 Co3 -177.63(11) . .
S10 In7 S19 Co3 69.43(13) . .
S16 In7 S19 Co3 -51.91(14) . .
S20 In7 S19 In15 -64.58(13) . .
S10 In7 S19 In15 -177.52(10) . .
S16 In7 S19 In15 61.14(11) . .
S10 In7 S20 In16 -179.70(12) . .
S16 In7 S20 In16 -61.08(15) . .
S19 In7 S20 In16 65.15(15) . .
S30 In16 S20 In7 63.67(16) . .
S35 In16 S20 In7 -178.45(14) . .
S34 In16 S20 In7 -65.51(14) . .
S24 In9 S22 In8 -173.49(11) . .
S12 In9 S22 In8 66.23(12) . .
S25 In9 S22 In8 -58.30(13) . .
S24 In9 S22 Co6 -44.48(14) . .
S12 In9 S22 Co6 -164.77(11) . .
S25 In9 S22 Co6 70.71(13) . .
S11 In8 S22 In9 -64.81(13) . .
S31 In8 S22 In9 179.35(11) 4_566 .
S23 In8 S22 In9 59.91(13) . .
S11 In8 S22 Co6 163.52(10) . .
S31 In8 S22 Co6 47.68(14) 4_566 .
S23 In8 S22 Co6 -71.76(13) . .
S26 In10 S23 In8 -174.64(11) . .
S25 In10 S23 In8 63.89(13) . .
S13 In10 S23 In8 -58.98(13) . .
S11 In8 S23 In10 61.10(13) . .
S31 In8 S23 In10 179.64(10) 4_566 .
S22 In8 S23 In10 -62.99(13) . .
S22 In9 S24 In11 -178.01(10) . .
S12 In9 S24 In11 -60.96(13) . .
S25 In9 S24 In11 62.08(12) . .
S27 In11 S24 In9 175.01(10) . .
S28 In11 S24 In9 -61.50(13) . .
S14 In11 S24 In9 57.25(12) . .
S26 In10 S25 Co4 66.20(13) . .
S23 In10 S25 Co4 -176.54(11) . .
S13 In10 S25 Co4 -53.68(13) . .
S26 In10 S25 In9 -178.33(10) . .
S23 In10 S25 In9 -61.07(12) . .
S13 In10 S25 In9 61.79(11) . .
S24 In9 S25 Co4 -71.93(12) . .
S22 In9 S25 Co4 173.40(10) . .
S12 In9 S25 Co4 51.34(12) . .
S24 In9 S25 In10 173.41(9) . .
S22 In9 S25 In10 58.75(12) . .
S12 In9 S25 In10 -63.31(11) . .
S23 In10 S26 In12 178.44(11) . .
S25 In10 S26 In12 -60.86(14) . .
S13 In10 S26 In12 60.75(13) . .
S30 In12 S26 In10 178.31(11) . .
S29 In12 S26 In10 56.96(14) . .
S16 In12 S26 In10 -59.66(14) . .
S24 In11 S27 In13 178.99(10) . .
S28 In11 S27 In13 56.85(13) . .
S14 In11 S27 In13 -64.86(12) . .
S17 In13 S27 In11 67.48(12) . .
S32 In13 S27 In11 -58.35(13) . .
S31 In13 S27 In11 -169.36(9) . .
S27 In11 S28 Co4 -175.61(10) . .
S24 In11 S28 Co4 65.37(12) . .
S14 In11 S28 Co4 -52.96(12) . .
S27 In11 S28 In14 -60.41(12) . .
S24 In11 S28 In14 -179.42(9) . .
S14 In11 S28 In14 62.24(11) . .
S32 In14 S28 Co4 175.92(9) . .
S33 In14 S28 Co4 -70.14(12) . .
S18 In14 S28 Co4 52.15(12) . .
S32 In14 S28 In11 61.24(11) . .
S33 In14 S28 In11 175.18(9) . .
S18 In14 S28 In11 -62.53(11) . .
S34 In15 S29 Co4 -176.97(10) . .
S33 In15 S29 Co4 67.62(13) . .
S19 In15 S29 Co4 -55.15(13) . .
S34 In15 S29 In12 -56.05(13) . .
S33 In15 S29 In12 -171.46(9) . .
S19 In15 S29 In12 65.77(11) . .
S30 In12 S29 Co4 178.24(12) . .
S26 In12 S29 Co4 -63.31(14) . .
S16 In12 S29 Co4 55.43(13) . .
S30 In12 S29 In15 58.74(13) . .
S26 In12 S29 In15 177.18(10) . .
S16 In12 S29 In15 -64.08(11) . .
S26 In12 S30 In16 177.61(11) . .
S29 In12 S30 In16 -62.98(14) . .
S16 In12 S30 In16 56.79(14) . .
S20 In16 S30 In12 -61.70(15) . .
S35 In16 S30 In12 -179.01(13) . .
S34 In16 S30 In12 66.65(14) . .
S27 In13 S31 In8 -65.28(13) . 4_565
S17 In13 S31 In8 54.48(14) . 4_565
S32 In13 S31 In8 173.44(11) . 4_565
S33 In14 S32 In13 -176.47(10) . .
S18 In14 S32 In13 63.90(12) . .
S28 In14 S32 In13 -60.48(12) . .
S33 In14 S32 Co5 -41.61(13) . .
S18 In14 S32 Co5 -161.25(9) . .
S28 In14 S32 Co5 74.38(12) . .
S27 In13 S32 In14 61.31(13) . .
S17 In13 S32 In14 -62.41(12) . .
S31 In13 S32 In14 177.52(11) . .
S27 In13 S32 Co5 -71.98(12) . .
S17 In13 S32 Co5 164.30(9) . .
S31 In13 S32 Co5 44.23(13) . .
S32 In14 S33 In15 -177.88(10) . .
S18 In14 S33 In15 -58.35(12) . .
S28 In14 S33 In15 64.50(12) . .
S34 In15 S33 In14 176.40(10) . .
S29 In15 S33 In14 -63.12(12) . .
S19 In15 S33 In14 59.20(12) . .
S33 In15 S34 In16 175.78(11) . .
S29 In15 S34 In16 58.09(13) . .
S19 In15 S34 In16 -64.99(13) . .
S33 In15 S34 Co6 48.68(14) . 2_556
S29 In15 S34 Co6 -69.00(13) . 2_556
S19 In15 S34 Co6 167.92(11) . 2_556
S30 In16 S34 In15 -64.58(13) . .
S20 In16 S34 In15 67.51(13) . .
S35 In16 S34 In15 -179.57(14) . .
S30 In16 S34 Co6 63.04(13) . 2_556
S20 In16 S34 Co6 -164.88(11) . 2_556
S35 In16 S34 Co6 -51.95(17) . 2_556
In9 S12 Co1 S15 57.66(13) . .
In5 S12 Co1 S15 -54.85(14) . .
In9 S12 Co1 S14 -65.28(12) . .
In5 S12 Co1 S14 -177.79(10) . .
In9 S12 Co1 S6 -177.08(10) . .
In5 S12 Co1 S6 70.41(12) . .
Co3 S15 Co1 S12 179.64(10) . .
Co2 S15 Co1 S12 59.54(14) . .
Co4 S15 Co1 S12 -60.97(13) . .
Co3 S15 Co1 S14 -61.85(13) . .
Co2 S15 Co1 S14 178.04(10) . .
Co4 S15 Co1 S14 57.54(13) . .
Co3 S15 Co1 S6 60.31(13) . .
Co2 S15 Co1 S6 -59.79(14) . .
Co4 S15 Co1 S6 179.70(10) . .
In6 S14 Co1 S12 -175.31(10) . .
In11 S14 Co1 S12 67.99(13) . .
In6 S14 Co1 S15 59.90(13) . .
In11 S14 Co1 S15 -56.80(13) . .
In6 S14 Co1 S6 -66.27(13) . .
In11 S14 Co1 S6 177.03(10) . .
In3 S6 Co1 S12 175.29(10) . .
In2 S6 Co1 S12 -68.49(13) . .
In3 S6 Co1 S15 -59.04(13) . .
In2 S6 Co1 S15 57.19(14) . .
In3 S6 Co1 S14 65.80(13) . .
In2 S6 Co1 S14 -177.98(10) . .
Co3 S15 Co2 S16 60.99(14) . .
Co1 S15 Co2 S16 -179.39(11) . .
Co4 S15 Co2 S16 -59.57(14) . .
Co3 S15 Co2 S13 178.50(11) . .
Co1 S15 Co2 S13 -61.87(14) . .
Co4 S15 Co2 S13 57.95(14) . .
Co3 S15 Co2 S7 -59.58(14) . .
Co1 S15 Co2 S7 60.04(14) . .
Co4 S15 Co2 S7 179.87(10) . .
In7 S16 Co2 S15 -58.40(14) . .
In12 S16 Co2 S15 57.40(14) . .
In7 S16 Co2 S13 178.59(10) . .
In12 S16 Co2 S13 -65.61(13) . .
In7 S16 Co2 S7 66.25(13) . .
In12 S16 Co2 S7 -177.95(10) . .
In5 S13 Co2 S15 59.65(13) . .
In10 S13 Co2 S15 -55.01(14) . .
In5 S13 Co2 S16 -176.52(10) . .
In10 S13 Co2 S16 68.82(13) . .
In5 S13 Co2 S7 -65.44(13) . .
In10 S13 Co2 S7 179.90(10) . .
In4 S7 Co2 S15 56.32(14) . .
In2 S7 Co2 S15 -58.54(14) . .
In4 S7 Co2 S16 -69.10(13) . .
In2 S7 Co2 S16 176.04(10) . .
In4 S7 Co2 S13 -178.58(10) . .
In2 S7 Co2 S13 66.56(13) . .
Co1 S15 Co3 S18 61.14(14) . .
Co2 S15 Co3 S18 -178.82(10) . .
Co4 S15 Co3 S18 -57.92(13) . .
Co1 S15 Co3 S9 -58.60(13) . .
Co2 S15 Co3 S9 61.44(14) . .
Co4 S15 Co3 S9 -177.66(10) . .
Co1 S15 Co3 S19 -178.53(10) . .
Co2 S15 Co3 S19 -58.48(14) . .
Co4 S15 Co3 S19 62.41(13) . .
In14 S18 Co3 S15 56.28(13) . .
In6 S18 Co3 S15 -56.07(13) . .
In14 S18 Co3 S9 -178.46(10) . .
In6 S18 Co3 S9 69.20(12) . .
In14 S18 Co3 S19 -69.77(12) . .
In6 S18 Co3 S19 177.88(10) . .
In4 S9 Co3 S15 -58.39(13) . .
In3 S9 Co3 S15 56.43(13) . .
In4 S9 Co3 S18 175.44(10) . .
In3 S9 Co3 S18 -69.74(12) . .
In4 S9 Co3 S19 67.15(12) . .
In3 S9 Co3 S19 -178.03(10) . .
In15 S19 Co3 S15 -57.39(13) . .
In7 S19 Co3 S15 54.30(14) . .
In15 S19 Co3 S18 69.22(12) . .
In7 S19 Co3 S18 -179.09(10) . .
In15 S19 Co3 S9 177.42(10) . .
In7 S19 Co3 S9 -70.89(13) . .
Co3 S15 Co4 S29 -61.41(13) . .
Co1 S15 Co4 S29 179.53(10) . .
Co2 S15 Co4 S29 59.29(13) . .
Co3 S15 Co4 S28 57.51(13) . .
Co1 S15 Co4 S28 -61.55(13) . .
Co2 S15 Co4 S28 178.21(10) . .
Co3 S15 Co4 S25 178.13(10) . .
Co1 S15 Co4 S25 59.07(13) . .
Co2 S15 Co4 S25 -61.17(13) . .
In15 S29 Co4 S15 58.83(13) . .
In12 S29 Co4 S15 -59.80(14) . .
In15 S29 Co4 S28 -66.64(13) . .
In12 S29 Co4 S28 174.73(10) . .
In15 S29 Co4 S25 -176.05(10) . .
In12 S29 Co4 S25 65.32(13) . .
In11 S28 Co4 S15 59.74(13) . .
In14 S28 Co4 S15 -55.23(13) . .
In11 S28 Co4 S29 -177.65(10) . .
In14 S28 Co4 S29 67.38(12) . .
In11 S28 Co4 S25 -66.44(12) . .
In14 S28 Co4 S25 178.59(10) . .
In10 S25 Co4 S15 58.96(13) . .
In9 S25 Co4 S15 -55.04(13) . .
In10 S25 Co4 S29 -64.22(13) . .
In9 S25 Co4 S29 -178.22(10) . .
In10 S25 Co4 S28 -174.05(10) . .
In9 S25 Co4 S28 71.95(12) . .
In14 S32 Co5 N2 -113.0(3) . 3_566
In13 S32 Co5 N2 15.7(3) . 3_566
In14 S32 Co5 N2 67.0(3) . .
In13 S32 Co5 N2 -164.3(3) . .
In14 S32 Co5 N1 151.7(3) . .
In13 S32 Co5 N1 -79.6(3) . .
In14 S32 Co5 N1 -28.3(3) . 3_566
In13 S32 Co5 N1 100.4(3) . 3_566
In14 S32 Co5 S32 -54(100) . 3_566
In13 S32 Co5 S32 74(100) . 3_566
In9 S22 Co6 N6 170.5(4) . .
In8 S22 Co6 N6 -63.5(4) . .
In9 S22 Co6 N4 -13.5(4) . .
In8 S22 Co6 N4 112.5(4) . .
In9 S22 Co6 N3 -96.5(4) . .
In8 S22 Co6 N3 29.5(4) . .
In9 S22 Co6 N5 87.3(3) . .
In8 S22 Co6 N5 -146.6(3) . .
In9 S22 Co6 S34 -98(100) . 2_546
In8 S22 Co6 S34 28(94) . 2_546
N2 Co5 N1 C6 175.6(10) 3_566 .
N2 Co5 N1 C6 -4.4(10) . .
N1 Co5 N1 C6 99(100) 3_566 .
S32 Co5 N1 C6 86.8(10) 3_566 .
S32 Co5 N1 C6 -93.2(10) . .
N2 Co5 N2 C1 0(100) 3_566 .
N1 Co5 N2 C1 -1.8(11) . .
N1 Co5 N2 C1 178.2(11) 3_566 .
S32 Co5 N2 C1 -94.5(10) 3_566 .
S32 Co5 N2 C1 85.5(10) . .
N6 Co6 N3 C7 177.1(13) . .
N4 Co6 N3 C7 -2.6(13) . .
N5 Co6 N3 C7 -172(7) . .
S22 Co6 N3 C7 90.3(13) . .
S34 Co6 N3 C7 -89.7(13) 2_546 .
N6 Co6 N4 C12 -11(7) . .
N3 Co6 N4 C12 -6.9(14) . .
N5 Co6 N4 C12 172.4(14) . .
S22 Co6 N4 C12 -100.2(14) . .
S34 Co6 N4 C12 79.7(14) 2_546 .
N6 Co6 N5 C13 10.1(9) . .
N4 Co6 N5 C13 -170.2(9) . .
N3 Co6 N5 C13 -1(7) . .
S22 Co6 N5 C13 97.1(9) . .
S34 Co6 N5 C13 -82.9(9) 2_546 .
N4 Co6 N6 C18 -164(6) . .
N3 Co6 N6 C18 -167.3(11) . .
N5 Co6 N6 C18 13.4(11) . .
S22 Co6 N6 C18 -73.8(11) . .
S34 Co6 N6 C18 106.3(11) 2_546 .
N9 Co7 N7 C19 104.4(13) . .
N11 Co7 N7 C19 -159.3(13) . .
N10 Co7 N7 C19 53(4) . .
N8 Co7 N7 C19 13.4(12) . .
N12 Co7 N7 C19 -79.8(13) . .
N7 Co7 N8 C24 9.3(14) . .
N9 Co7 N8 C24 -85.1(14) . .
N11 Co7 N8 C24 64(4) . .
N10 Co7 N8 C24 -165.4(14) . .
N12 Co7 N8 C24 101.5(14) . .
N7 Co7 N9 C25 -156.2(9) . .
N11 Co7 N9 C25 110.6(9) . .
N10 Co7 N9 C25 17.1(9) . .
N8 Co7 N9 C25 -74.0(10) . .
N12 Co7 N9 C25 54(4) . .
N7 Co7 N10 C30 68(4) . .
N9 Co7 N10 C30 15.8(11) . .
N11 Co7 N10 C30 -79.7(11) . .
N8 Co7 N10 C30 107.1(12) . .
N12 Co7 N10 C30 -159.2(11) . .
N7 Co7 N11 C31 93.9(13) . .
N9 Co7 N11 C31 -171.2(13) . .
N10 Co7 N11 C31 -90.6(13) . .
N8 Co7 N11 C31 40(4) . .
N12 Co7 N11 C31 1.6(13) . .
N7 Co7 N12 C36 -69.9(14) . .
N9 Co7 N12 C36 80(4) . .
N11 Co7 N12 C36 22.3(13) . .
N10 Co7 N12 C36 116.2(14) . .
N8 Co7 N12 C36 -152.2(14) . .
N16 Co8 N13 C37 -171.4(19) . .
N15 Co8 N13 C37 106.1(19) . .
N17 Co8 N13 C37 -37(5) . .
N14 Co8 N13 C37 14.3(19) . .
N18 Co8 N13 C37 -77.3(19) . .
N13 Co8 N14 C42 19.7(18) . .
N16 Co8 N14 C42 -36(7) . .
N15 Co8 N14 C42 -78.0(19) . .
N17 Co8 N14 C42 -169.0(18) . .
N18 Co8 N14 C42 116.1(19) . .
N13 Co8 N15 C43 102.9(19) . .
N16 Co8 N15 C43 9.9(18) . .
N17 Co8 N15 C43 -83.7(19) . .
N14 Co8 N15 C43 -174.8(19) . .
N18 Co8 N15 C43 -64(3) . .
N13 Co8 N16 C48 -85.0(15) . .
N15 Co8 N16 C48 12.5(15) . .
N17 Co8 N16 C48 102.9(15) . .
N14 Co8 N16 C48 -30(7) . .
N18 Co8 N16 C48 177.9(15) . .
N13 Co8 N17 C49 -55(5) . .
N16 Co8 N17 C49 80(2) . .
N15 Co8 N17 C49 162(2) . .
N14 Co8 N17 C49 -105(2) . .
N18 Co8 N17 C49 -13(2) . .
N13 Co8 N18 C54 -170.1(18) . .
N16 Co8 N18 C54 -75.4(18) . .
N15 Co8 N18 C54 -3(4) . .
N17 Co8 N18 C54 17.4(18) . .
N14 Co8 N18 C54 107.8(18) . .
Co5 N2 C1 C6 9(2) . .
Co5 N2 C1 C2 173.3(13) . .
C6 C1 C2 C3 -17(3) . .
N2 C1 C2 C3 -179.7(17) . .
C1 C2 C3 C4 16(3) . .
C2 C3 C4 C5 -16(4) . .
C3 C4 C5 C6 14(3) . .
N2 C1 C6 N1 -14(3) . .
C2 C1 C6 N1 -177.4(17) . .
N2 C1 C6 C5 -179.2(17) . .
C2 C1 C6 C5 18(4) . .
Co5 N1 C6 C1 12(2) . .
Co5 N1 C6 C5 177.9(13) . .
C4 C5 C6 C1 -15(3) . .
C4 C5 C6 N1 179.6(17) . .
Co6 N3 C7 C12 13(3) . .
Co6 N3 C7 C8 171.1(16) . .
C12 C7 C8 C9 -23(4) . .
N3 C7 C8 C9 -179(2) . .
C7 C8 C9 C10 38(5) . .
C8 C9 C10 C11 -45(6) . .
C9 C10 C11 C12 35(5) . .
N3 C7 C12 N4 -21(4) . .
C8 C7 C12 N4 -175(2) . .
N3 C7 C12 C11 171(2) . .
C8 C7 C12 C11 17(5) . .
Co6 N4 C12 C7 17(3) . .
Co6 N4 C12 C11 -177(2) . .
C10 C11 C12 C7 -22(4) . .
C10 C11 C12 N4 172(3) . .
Co6 N5 C13 C18 -31.3(16) . .
Co6 N5 C13 C14 -163.7(12) . .
C18 C13 C14 C15 50(2) . .
N5 C13 C14 C15 179.2(17) . .
C13 C14 C15 C16 -52(3) . .
C14 C15 C16 C17 57(3) . .
C15 C16 C17 C18 -52(3) . .
Co6 N6 C18 C13 -37.1(17) . .
Co6 N6 C18 C17 -169.9(13) . .
N5 C13 C18 N6 48(2) . .
C14 C13 C18 N6 178.3(15) . .
N5 C13 C18 C17 -179.2(15) . .
C14 C13 C18 C17 -48(2) . .
C16 C17 C18 N6 -178.6(18) . .
C16 C17 C18 C13 48(2) . .
Co7 N7 C19 C24 -36(2) . .
Co7 N7 C19 C20 179.5(17) . .
C24 C19 C20 C21 41(3) . .
N7 C19 C20 C21 -177(2) . .
C19 C20 C21 C22 -34(4) . .
C20 C21 C22 C23 40(5) . .
C21 C22 C23 C24 -45(4) . .
C20 C19 C24 N8 -169.6(19) . .
N7 C19 C24 N8 47(3) . .
C20 C19 C24 C23 -46(3) . .
N7 C19 C24 C23 170.8(19) . .
Co7 N8 C24 C19 -32(2) . .
Co7 N8 C24 C23 -157.5(16) . .
C22 C23 C24 C19 44(4) . .
C22 C23 C24 N8 171(2) . .
Co7 N9 C25 C26 -168.1(11) . .
Co7 N9 C25 C30 -43.4(13) . .
N9 C25 C26 C27 176.2(13) . .
C30 C25 C26 C27 56.6(18) . .
C25 C26 C27 C28 -58(2) . .
C26 C27 C28 C29 58(2) . .
C27 C28 C29 C30 -57(2) . .
Co7 N10 C30 C29 -165.9(13) . .
Co7 N10 C30 C25 -44.4(15) . .
C28 C29 C30 N10 173.1(17) . .
C28 C29 C30 C25 53(2) . .
C26 C25 C30 N10 -175.3(13) . .
N9 C25 C30 N10 58.9(16) . .
C26 C25 C30 C29 -54.2(19) . .
N9 C25 C30 C29 179.9(14) . .
Co7 N11 C31 C36 -25(2) . .
Co7 N11 C31 C32 -155.0(14) . .
N11 C31 C32 C33 179.9(19) . .
C36 C31 C32 C33 53(3) . .
C31 C32 C33 C34 -51(3) . .
C32 C33 C34 C35 55(4) . .
C33 C34 C35 C36 -53(4) . .
Co7 N12 C36 C31 -45(2) . .
Co7 N12 C36 C35 -173.7(15) . .
N11 C31 C36 N12 48(2) . .
C32 C31 C36 N12 175.7(17) . .
N11 C31 C36 C35 176.9(19) . .
C32 C31 C36 C35 -56(3) . .
C34 C35 C36 N12 -179(2) . .
C34 C35 C36 C31 52(3) . .
Co8 N13 C37 C42 -47(3) . .
Co8 N13 C37 C38 -156(2) . .
C42 C37 C38 C39 86(3) . .
N13 C37 C38 C39 -160(3) . .
C37 C38 C39 C40 -81(3) . .
C38 C39 C40 C41 14(4) . .
C39 C40 C41 C42 52(5) . .
Co8 N14 C42 C37 -50(3) . .
Co8 N14 C42 C41 169(4) . .
N13 C37 C42 N14 68(4) . .
C38 C37 C42 N14 -177(3) . .
N13 C37 C42 C41 -138(3) . .
C38 C37 C42 C41 -23(4) . .
C40 C41 C42 N14 89(5) . .
C40 C41 C42 C37 -51(5) . .
Co8 N15 C43 C48 -32(3) . .
Co8 N15 C43 C44 -172.5(17) . .
N15 C43 C44 C45 -176(2) . .
C48 C43 C44 C45 42(3) . .
C43 C44 C45 C46 -47(3) . .
C44 C45 C46 C47 53(4) . .
C45 C46 C47 C48 -58(4) . .
C46 C47 C48 C43 53(4) . .
C46 C47 C48 N16 -179(2) . .
N15 C43 C48 C47 172(3) . .
C44 C43 C48 C47 -44(3) . .
N15 C43 C48 N16 44(3) . .
C44 C43 C48 N16 -173(2) . .
Co8 N16 C48 C47 -160.5(18) . .
Co8 N16 C48 C43 -31(2) . .
Co8 N17 C49 C54 3(4) . .
Co8 N17 C49 C50 -171(2) . .
C54 C49 C50 C51 -7(6) . .
N17 C49 C50 C51 166(3) . .
C49 C50 C51 C52 34(6) . .
C50 C51 C52 C53 -32(6) . .
C51 C52 C53 C54 5(5) . .
N17 C49 C54 N18 16(5) . .
C50 C49 C54 N18 -170(3) . .
N17 C49 C54 C53 165(3) . .
C50 C49 C54 C53 -21(6) . .
Co8 N18 C54 C49 -25(4) . .
Co8 N18 C54 C53 -179.3(19) . .
C52 C53 C54 C49 20(5) . .
C52 C53 C54 N18 174(3) . .
C60 C55 C56 C57 -59(4) . .
N23 C55 C56 C57 180(3) . .
C55 C56 C57 C58 62(5) . .
C56 C57 C58 C59 -60(5) . .
C57 C58 C59 C60 51(4) . .
N23 C55 C60 N24 -55(3) . .
C56 C55 C60 N24 -174(2) . .
N23 C55 C60 C59 179.0(19) . .
C56 C55 C60 C59 59(3) . .
C58 C59 C60 C55 -59(3) . .
C58 C59 C60 N24 173(2) . .
C66 C61 C62 C63 -56(2) . .
N25 C61 C62 C63 68(3) . .
C61 C62 C63 C64 51(3) . .
C62 C63 C64 C65 -57(3) . .
C63 C64 C65 C66 61(3) . .
C62 C61 C66 C65 65(3) . .
N25 C61 C66 C65 -62(3) . .
C62 C61 C66 N26 177.9(19) . .
N25 C61 C66 N26 51(2) . .
C64 C65 C66 C61 -64(3) . .
C64 C65 C66 N26 -179(2) . .
