#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:30:41 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179666 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/19/4511999.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_4511999
loop_
_publ_author_name
'Su, Kongzhao'
'Jiang, Feilong'
'Qian, Jinjie'
'Pang, Jiandong'
'AL-Thabaiti, Shaeel A.'
'Bawaked, Salem M.'
'Mokhtar, Mohamed'
'Chen, Qihui'
'Hong, Maochun'
_publ_section_title
;
 Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters
 Based on Thiacalix[4]arene
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5865
_journal_paper_doi               10.1021/cg5010903
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C292 H346 Co24 N16 Na2 O76 P6 S24'
_chemical_formula_weight         7711.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.718(2)
_cell_angle_beta                 103.2130(10)
_cell_angle_gamma                115.237(2)
_cell_formula_units_Z            1
_cell_length_a                   21.6989(3)
_cell_length_b                   22.0322(5)
_cell_length_c                   23.5087(4)
_cell_measurement_temperature    100(2)
_cell_volume                     8989.6(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            99627
_diffrn_reflns_theta_full        70.00
_diffrn_reflns_theta_max         70.00
_diffrn_reflns_theta_min         3.17
_diffrn_standards_number         102952
_exptl_absorpt_coefficient_mu    10.577
_exptl_absorpt_correction_T_max  0.1435
_exptl_absorpt_correction_T_min  0.1192
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3962
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_platon_squeeze_details
;
SQUEEZE removed seven disordered CH3OH and one disordered DMF
molecules per formula unit. This valueis calculated based upon
volume/count_electrons analysis and elemental analyses.
See ref: a) Y. F. Bi, X. T. Wang, W. P. Liao, X. F. Wang, X. W. Wang,
H. J. Zhang and S. Gao, J. Am. Chem. Soc. 2009, 131, 11650;
b)Y. F. Bi, S. C. Du and W. P. Liao, Chem. Commun., 2011, 47, 4724.
;
_refine_diff_density_max         1.397
_refine_diff_density_min         -0.987
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1656
_refine_ls_number_reflns         33982
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0743P)²+2.5547P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1383
_reflns_number_gt                26353
_reflns_number_total             33982
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5010903_si_002.cif
_cod_data_source_block           c:compound1
_cod_depositor_comments
'Adding full bibliography for 4511999--4512000.cif.'
_cod_original_cell_volume        8989.6(3)
_cod_database_code               4511999
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.48796(3) 0.25804(3) 0.44752(3) 0.01274(13) Uani 1 1 d .
Co12 Co 0.87317(3) 0.06002(3) 0.62666(3) 0.01240(13) Uani 1 1 d .
Co9 Co 0.77347(3) 0.14863(3) 0.64357(3) 0.01174(13) Uani 1 1 d .
Co7 Co 0.81917(3) 0.09099(3) 0.50248(3) 0.01320(13) Uani 1 1 d .
Co4 Co 0.67139(3) 0.28133(3) 0.50470(3) 0.01319(13) Uani 1 1 d .
Co3 Co 0.60586(3) 0.18166(3) 0.59517(3) 0.01278(13) Uani 1 1 d .
Co2 Co 0.43016(3) 0.16579(3) 0.52892(3) 0.01164(13) Uani 1 1 d .
Co11 Co 0.72563(3) -0.08214(3) 0.64977(3) 0.01259(13) Uani 1 1 d .
Co10 Co 0.64181(3) 0.02719(3) 0.66366(3) 0.01215(13) Uani 1 1 d .
Co8 Co 0.62917(3) -0.01384(3) 0.40697(3) 0.01262(13) Uani 1 1 d .
Co5 Co 0.64291(4) 0.13420(4) 0.39708(3) 0.01419(13) Uani 1 1 d .
Co6 Co 0.82680(4) 0.25345(4) 0.47664(3) 0.01585(14) Uani 1 1 d .
S8 S 0.58227(5) -0.11913(5) 0.30096(4) 0.01497(18) Uani 1 1 d .
S4 S 0.76859(5) 0.40998(5) 0.57067(5) 0.01649(19) Uani 1 1 d .
P3 P 0.69748(5) -0.02328(5) 0.54442(4) 0.01037(18) Uani 1 1 d .
S12 S 0.99184(5) 0.11915(5) 0.71367(4) 0.01574(19) Uani 1 1 d .
S3 S 0.66748(5) 0.25824(5) 0.71146(4) 0.01529(19) Uani 1 1 d .
S11 S 0.76954(6) -0.09434(6) 0.74801(4) 0.01741(19) Uani 1 1 d .
S10 S 0.63345(5) 0.06789(6) 0.77124(4) 0.01580(19) Uani 1 1 d .
S1 S 0.49481(5) 0.38225(5) 0.47823(4) 0.01500(18) Uani 1 1 d .
S7 S 0.88119(5) 0.03767(5) 0.44851(4) 0.01625(19) Uani 1 1 d .
S2 S 0.39204(5) 0.22480(5) 0.61218(4) 0.01491(18) Uani 1 1 d .
S9 S 0.85269(5) 0.27746(5) 0.73570(4) 0.01639(19) Uani 1 1 d .
S6 S 0.89831(6) 0.28040(6) 0.40980(5) 0.0189(2) Uani 1 1 d .
P2 P 0.72408(5) 0.16448(5) 0.53286(4) 0.01153(18) Uani 1 1 d .
S5 S 0.59511(6) 0.12783(6) 0.28264(5) 0.0189(2) Uani 1 1 d .
P1 P 0.51558(5) 0.12158(5) 0.44621(4) 0.01078(18) Uani 1 1 d .
Na1 Na 0.58239(2) 0.02579(2) 0.521451(18) 0.0157(3) Uani 1 1 d G
O27 O 0.68810(2) 0.03220(2) 0.592560(18) 0.0116(5) Uani 1 1 d G
O29 O 0.77491(2) 0.01607(2) 0.54471(2) 0.0123(5) Uani 1 1 d G
O3 O 0.52157(2) 0.20170(3) 0.60813(2) 0.0135(5) Uani 1 1 d G
O21 O 0.69399(2) 0.16712(2) 0.586080(16) 0.0134(5) Uani 1 1 d G
O23 O 0.91309(2) 0.13145(3) 0.58369(2) 0.0163(6) Uani 1 1 d G
O18 O 0.46414(2) 0.05413(3) 0.383511(19) 0.0132(5) Uani 1 1 d G
O14 O 0.48001(2) 0.16738(3) 0.46298(2) 0.0135(5) Uani 1 1 d G
O9 O 0.73047(2) 0.12889(3) 0.706290(17) 0.0151(6) Uani 1 1 d G
O16 O 0.59093(2) 0.08988(2) 0.628281(19) 0.0179(6) Uani 1 1 d G
O26 O 0.63519(2) -0.05756(2) 0.47651(2) 0.0134(5) Uani 1 1 d G
O22 O 0.79246(2) 0.15901(2) 0.560378(18) 0.0141(5) Uani 1 1 d G
O20 O 0.74520(2) 0.23236(2) 0.517488(19) 0.0154(6) Uani 1 1 d G
O7 O 0.72906(3) 0.00728(2) 0.412849(19) 0.0132(5) Uani 1 1 d G
O17 O 0.58727(2) 0.17223(2) 0.438530(18) 0.0139(5) Uani 1 1 d G
O10 O 0.69155(3) -0.02172(3) 0.70263(2) 0.0157(6) Uani 1 1 d G
O15 O 0.53595(2) 0.10140(2) 0.502531(19) 0.0138(5) Uani 1 1 d G
O175 O 0.89353(3) -0.01502(3) 0.57364(3) 0.0174(6) Uani 1 1 d G
O5 O 0.73988(3) 0.18480(3) 0.38893(2) 0.0167(6) Uani 1 1 d G
O28 O 0.68257(3) -0.08996(2) 0.56060(2) 0.0127(5) Uani 1 1 d G
O31 O 0.53090(2) -0.04127(2) 0.411741(19) 0.0143(5) Uani 1 1 d G
O4 O 0.66681(2) 0.28167(2) 0.591139(19) 0.0148(5) Uani 1 1 d G
O12 O 0.86414(2) 0.14339(3) 0.682159(19) 0.0157(6) Uani 1 1 d G
O2 O 0.60307(3) 0.32676(3) 0.49529(2) 0.0166(6) Uani 1 1 d G
O11 O 0.83415(3) -0.00298(3) 0.67754(2) 0.0147(5) Uani 1 1 d G
O30 O 0.73498(4) -0.17597(3) 0.60425(3) 0.0182(6) Uani 1 1 d G
O13 O 0.37122(3) 0.19980(4) 0.38808(3) 0.0166(6) Uani 1 1 d G
O8 O 0.60936(3) 0.03160(3) 0.345540(16) 0.0164(6) Uani 1 1 d G
O1 O 0.45990(3) 0.26476(3) 0.52435(3) 0.0154(6) Uani 1 1 d G
O19 O 0.66748(2) 0.09616(2) 0.469739(16) 0.0152(6) Uani 1 1 d G
O6 O 0.85480(2) 0.16712(3) 0.46492(2) 0.0164(6) Uani 1 1 d G
O40 O 0.69211(3) 0.29122(3) 0.42607(2) 0.0202(6) Uani 1 1 d G
O39 O 0.81672(3) 0.34080(3) 0.46705(3) 0.0218(6) Uani 1 1 d G
N1 N 0.51220(3) 0.23928(3) 0.36392(2) 0.0181(7) Uani 1 1 d G
C1 C 0.44120(3) 0.31142(4) 0.54997(3) 0.0148(8) Uani 1 1 d G
C11 C 0.63237(3) 0.39841(3) 0.52828(3) 0.0157(8) Uani 1 1 d G
C12 C 0.70909(3) 0.44609(2) 0.56695(3) 0.0157(8) Uani 1 1 d G
C66 C 0.67263(3) -0.10487(3) 0.31689(2) 0.0159(8) Uani 1 1 d G
C172 C 0.52854(2) 0.06579(3) 0.63255(2) 0.0163(8) Uani 1 1 d G
H172 H 0.5273 0.0666 0.6729 0.020 Uiso 1 1 calc R
C65 C 0.68040(4) -0.15846(3) 0.27584(2) 0.0215(9) Uani 1 1 d G
H65 H 0.6380 -0.1988 0.2393 0.026 Uiso 1 1 calc R
C41 C 0.7473(2) 0.2016(2) 0.33931(19) 0.0172(8) Uani 1 1 d .
C26 C 0.5975(2) 0.2780(2) 0.71926(18) 0.0146(8) Uani 1 1 d .
C73 C 0.5436(2) -0.1072(2) 0.18553(18) 0.0185(8) Uani 1 1 d .
H73 H 0.5336 -0.1560 0.1659 0.022 Uiso 1 1 calc R
C61 C 0.7338(2) -0.0443(2) 0.37210(18) 0.0156(8) Uani 1 1 d .
C32 C 0.77630(3) 0.40223(2) 0.64460(2) 0.0177(8) Uani 1 1 d G
C35 C 0.78983(3) 0.39825(2) 0.76193(2) 0.0228(9) Uani 1 1 d G
H35 H 0.7934 0.3959 0.8022 0.027 Uiso 1 1 calc R
N6 N 0.7468(3) 0.0089(2) 0.19705(19) 0.0342(10) Uani 1 1 d .
C22 C 0.4803(2) 0.2652(2) 0.67567(18) 0.0147(8) Uani 1 1 d .
C13 C 0.7403(2) 0.5211(2) 0.60403(19) 0.0185(8) Uani 1 1 d .
H13 H 0.7922 0.5509 0.6293 0.022 Uiso 1 1 calc R
C91 C 0.69965(3) -0.01604(3) 0.76182(2) 0.0138(8) Uani 1 1 d G
N3 N 0.85094(4) -0.13017(3) 0.50362(3) 0.0316(9) Uani 1 1 d G
C6 C 0.40670(3) 0.30171(4) 0.59336(3) 0.0154(8) Uani 1 1 d G
C96 C 0.73306(4) -0.04851(4) 0.79075(3) 0.0171(8) Uani 1 1 d G
C81 C 0.75079(3) 0.17757(3) 0.763910(17) 0.0155(8) Uani 1 1 d G
C111 C 0.92690(2) 0.20245(3) 0.72771(2) 0.0148(8) Uani 1 1 d G
C74 C 0.53043(4) -0.07165(4) 0.146439(16) 0.0205(9) Uani 1 1 d G
C85 C 0.83404(3) 0.30026(3) 0.851669(16) 0.0199(9) Uani 1 1 d G
H85 H 0.8755 0.3488 0.8675 0.024 Uiso 1 1 calc R
C31 C 0.72330(3) 0.33885(2) 0.64495(2) 0.0165(8) Uani 1 1 d G
C15 C 0.62272(4) 0.50792(3) 0.56519(3) 0.0177(8) Uani 1 1 d G
H15 H 0.5922 0.5286 0.5637 0.021 Uiso 1 1 calc R
C101 C 0.8829(2) 0.0143(2) 0.73406(18) 0.0156(8) Uani 1 1 d .
C21 C 0.5325(2) 0.2465(2) 0.66460(18) 0.0150(8) Uani 1 1 d .
C83 C 0.7359(2) 0.2097(2) 0.86542(19) 0.0204(9) Uani 1 1 d .
H83 H 0.7088 0.1958 0.8908 0.025 Uiso 1 1 calc R
C62 C 0.80122(3) -0.04048(3) 0.38183(2) 0.0170(8) Uani 1 1 d G
C23 C 0.49324(4) 0.31216(4) 0.73669(3) 0.0166(8) Uani 1 1 d G
H23 H 0.4563 0.3230 0.7417 0.020 Uiso 1 1 calc R
C51 C 0.8903(2) 0.1587(2) 0.42694(18) 0.0167(8) Uani 1 1 d .
C71 C 0.5852(2) -0.0004(2) 0.28246(18) 0.0146(8) Uani 1 1 d .
C16 C 0.5910(2) 0.4336(2) 0.52770(18) 0.0151(8) Uani 1 1 d .
C112 C 0.99307(2) 0.20240(3) 0.74921(2) 0.0178(8) Uani 1 1 d G
C105 C 1.00911(3) 0.08811(4) 0.81804(3) 0.0210(9) Uani 1 1 d G
H105 H 1.0592 0.1264 0.8325 0.025 Uiso 1 1 calc R
C63 C 0.8084(2) -0.0938(2) 0.3402(2) 0.0216(9) Uani 1 1 d .
H63 H 0.8559 -0.0883 0.3488 0.026 Uiso 1 1 calc R
C2 C 0.4529(2) 0.3719(2) 0.53489(18) 0.0146(8) Uani 1 1 d .
C84 C 0.7977(3) 0.2810(2) 0.89123(19) 0.0223(9) Uani 1 1 d .
C4 C 0.39401(4) 0.40789(4) 0.60275(4) 0.0220(9) Uani 1 1 d G
C82 C 0.71292(3) 0.15830(3) 0.803651(18) 0.0149(8) Uani 1 1 d G
C36 C 0.73178(3) 0.33832(2) 0.706549(19) 0.0178(8) Uani 1 1 d G
C72 C 0.57115(3) -0.07181(3) 0.252260(17) 0.0180(8) Uani 1 1 d G
C92 C 0.67208(4) 0.01957(4) 0.79970(2) 0.0186(8) Uani 1 1 d G
C86 C 0.81115(3) 0.24988(3) 0.789090(16) 0.0155(8) Uani 1 1 d G
C46 C 0.68598(4) 0.17889(3) 0.28522(2) 0.0200(9) Uani 1 1 d G
C129 C 0.67136(4) -0.22067(3) 0.59561(3) 0.0181(8) Uani 1 1 d G
H129 H 0.6534 -0.2720 0.5763 0.022 Uiso 1 1 calc R
C42 C 0.81847(3) 0.24481(3) 0.34018(3) 0.0201(9) Uani 1 1 d G
C56 C 0.90673(3) 0.10196(3) 0.41318(3) 0.0156(8) Uani 1 1 d G
C3 C 0.42925(4) 0.41817(4) 0.56064(3) 0.0200(8) Uani 1 1 d G
H3 H 0.4374 0.4582 0.5491 0.024 Uiso 1 1 calc R
C106 C 0.9579(2) 0.0696(2) 0.75884(18) 0.0177(8) Uani 1 1 d .
C93 C 0.6770(3) 0.0201(3) 0.8597(2) 0.0239(9) Uani 1 1 d .
H93 H 0.6579 0.0446 0.8833 0.029 Uiso 1 1 calc R
C5 C 0.38365(4) 0.34866(4) 0.61915(3) 0.0181(8) Uani 1 1 d G
H5 H 0.3605 0.3405 0.6483 0.022 Uiso 1 1 calc R
C55 C 0.9415(2) 0.0929(2) 0.37223(19) 0.0209(9) Uani 1 1 d .
H55 H 0.9515 0.0540 0.3653 0.025 Uiso 1 1 calc R
C33 C 0.8350(2) 0.4617(2) 0.7006(2) 0.0236(9) Uani 1 1 d .
H33 H 0.8705 0.5035 0.6975 0.028 Uiso 1 1 calc R
C122 C 0.4568(2) 0.1699(2) 0.30745(19) 0.0226(9) Uani 1 1 d .
H12A H 0.4109 0.1700 0.2919 0.034 Uiso 1 1 calc R
H12B H 0.4467 0.1283 0.3193 0.034 Uiso 1 1 calc R
H12C H 0.4758 0.1651 0.2735 0.034 Uiso 1 1 calc R
C64 C 0.7483(2) -0.1541(2) 0.2872(2) 0.0228(9) Uani 1 1 d .
C14 C 0.69787(4) 0.55352(3) 0.60511(3) 0.0191(8) Uani 1 1 d G
N2 N 0.91723(2) 0.31400(2) 0.56591(3) 0.0345(10) Uani 1 1 d GU
C102 C 0.86261(4) -0.02253(4) 0.77377(3) 0.0168(8) Uani 1 1 d G
C25 C 0.60878(4) 0.32303(3) 0.77968(2) 0.0202(9) Uani 1 1 d G
H25 H 0.6526 0.3407 0.8153 0.024 Uiso 1 1 calc R
C103 C 0.9145(3) -0.0037(3) 0.8331(2) 0.0230(9) Uani 1 1 d .
H103 H 0.8985 -0.0298 0.8581 0.028 Uiso 1 1 calc R
C94 C 0.73669(4) -0.04833(4) 0.85114(3) 0.0255(10) Uani 1 1 d G
H94 H 0.7587 -0.0722 0.8681 0.031 Uiso 1 1 calc R
C34 C 0.8429(3) 0.4614(2) 0.7610(2) 0.0253(10) Uani 1 1 d .
C75 C 0.5466(2) -0.0004(3) 0.17726(19) 0.0206(9) Uani 1 1 d .
H75 H 0.5391 0.0251 0.1522 0.025 Uiso 1 1 calc R
C20 C 0.6778(3) 0.6540(2) 0.6653(2) 0.0269(10) Uani 1 1 d .
H20A H 0.6606 0.6278 0.6914 0.040 Uiso 1 1 calc R
H20B H 0.6353 0.6377 0.6267 0.040 Uiso 1 1 calc R
H20C H 0.7020 0.7073 0.6905 0.040 Uiso 1 1 calc R
C116 C 0.9330(2) 0.2707(2) 0.7579(2) 0.0207(9) Uani 1 1 d .
C104 C 0.98831(4) 0.05140(4) 0.85681(3) 0.0230(9) Uani 1 1 d G
C123 C 0.75844(3) 0.33337(3) 0.43116(3) 0.0222(9) Uani 1 1 d G
C54 C 0.96295(4) 0.13870(4) 0.34030(3) 0.0212(9) Uani 1 1 d G
C130 C 0.84433(3) -0.08152(3) 0.54307(3) 0.0235(9) Uani 1 1 d G
H130 H 0.7991 -0.0977 0.5490 0.028 Uiso 1 1 calc R
C45 C 0.6959(3) 0.1977(3) 0.2336(2) 0.0290(10) Uani 1 1 d .
H45 H 0.6533 0.1813 0.1973 0.035 Uiso 1 1 calc R
C113 C 1.05845(2) 0.26440(3) 0.79422(3) 0.0309(11) Uani 1 1 d G
H113 H 1.1016 0.2613 0.8061 0.037 Uiso 1 1 calc R
C53 C 0.9497(2) 0.1963(2) 0.3543(2) 0.0206(9) Uani 1 1 d .
H53 H 0.9648 0.2299 0.3351 0.025 Uiso 1 1 calc R
C76 C 0.5735(2) 0.0349(2) 0.24359(19) 0.0173(8) Uani 1 1 d .
C95 C 0.7085(3) -0.0137(3) 0.8866(2) 0.0291(11) Uani 1 1 d .
C52 C 0.9146(2) 0.2060(2) 0.39631(19) 0.0196(9) Uani 1 1 d .
C27 C 0.57104(4) 0.39226(4) 0.85711(3) 0.0269(10) Uani 1 1 d G
C43 C 0.82676(4) 0.26277(4) 0.28854(3) 0.0269(10) Uani 1 1 d G
H43 H 0.8753 0.2917 0.2907 0.032 Uiso 1 1 calc R
C17 C 0.7332(3) 0.6370(2) 0.6456(2) 0.0252(10) Uani 1 1 d .
C24 C 0.5581(2) 0.3433(2) 0.78996(19) 0.0193(8) Uani 1 1 d .
C18 C 0.7609(3) 0.6780(3) 0.6053(3) 0.0329(11) Uani 1 1 d .
H18A H 0.7196 0.6590 0.5648 0.049 Uiso 1 1 calc R
H18B H 0.7996 0.6705 0.5961 0.049 Uiso 1 1 calc R
H18C H 0.7813 0.7309 0.6292 0.049 Uiso 1 1 calc R
C7 C 0.36972(5) 0.46114(5) 0.63085(4) 0.0321(11) Uani 1 1 d G
C128 C 0.98103(2) 0.17763(3) 0.59625(3) 0.0357(12) Uani 1 1 d G
C44 C 0.76611(4) 0.23944(4) 0.23434(3) 0.0336(11) Uani 1 1 d G
C144 C 0.75520(4) 0.04035(4) 0.26254(2) 0.0339(11) Uani 1 1 d G
H14A H 0.7522 0.0054 0.2818 0.051 Uiso 1 1 calc R
H14B H 0.7157 0.0507 0.2634 0.051 Uiso 1 1 calc R
H14C H 0.8035 0.0864 0.2871 0.051 Uiso 1 1 calc R
C77 C 0.4971(3) -0.1132(3) 0.0728(2) 0.0285(10) Uani 1 1 d .
C67 C 0.75816(5) -0.21304(4) 0.24303(3) 0.0348(12) Uani 1 1 d G
C57 C 0.99845(4) 0.12307(5) 0.29403(4) 0.0289(10) Uani 1 1 d G
C107 C 1.04305(4) 0.07241(5) 0.92336(3) 0.0315(11) Uani 1 1 d G
C87 C 0.82047(4) 0.33759(4) 0.958880(17) 0.0311(11) Uani 1 1 d G
N4 N 0.92596(4) 0.20456(4) 0.929599(19) 0.0552(14) Uani 1 1 d G
C132 C 0.91801(4) -0.10892(4) 0.48933(3) 0.0352(12) Uani 1 1 d G
H13A H 0.9528 -0.0555 0.5135 0.053 Uiso 1 1 calc R
H13B H 0.9042 -0.1219 0.4431 0.053 Uiso 1 1 calc R
H13C H 0.9416 -0.1352 0.5019 0.053 Uiso 1 1 calc R
C19 C 0.79742(4) 0.66437(2) 0.70832(4) 0.0394(13) Uani 1 1 d G
H19A H 0.8182 0.7170 0.7337 0.059 Uiso 1 1 calc R
H19B H 0.8360 0.6572 0.6984 0.059 Uiso 1 1 calc R
H19C H 0.7792 0.6364 0.7330 0.059 Uiso 1 1 calc R
C115 C 0.9990(3) 0.3326(3) 0.8037(2) 0.0343(12) Uani 1 1 d .
H115 H 1.0000 0.3772 0.8224 0.041 Uiso 1 1 calc R
C114 C 1.0642(3) 0.3319(3) 0.8233(3) 0.0412(14) Uani 1 1 d .
C29 C 0.6531(3) 0.4520(3) 0.8960(2) 0.0386(13) Uani 1 1 d .
H29A H 0.6695 0.4840 0.8740 0.058 Uiso 1 1 calc R
H29B H 0.6825 0.4287 0.9002 0.058 Uiso 1 1 calc R
H29C H 0.6597 0.4817 0.9389 0.058 Uiso 1 1 calc R
C69 C 0.8014(3) -0.1799(3) 0.2066(2) 0.0374(12) Uani 1 1 d .
H69A H 0.8505 -0.1375 0.2371 0.056 Uiso 1 1 calc R
H69B H 0.7749 -0.1635 0.1810 0.056 Uiso 1 1 calc R
H69C H 0.8070 -0.2170 0.1780 0.056 Uiso 1 1 calc R
C60 C 0.94243(5) 0.04650(5) 0.23874(3) 0.0397(13) Uani 1 1 d G
H60A H 0.9289 0.0091 0.2561 0.060 Uiso 1 1 calc R
H60B H 0.9647 0.0357 0.2084 0.060 Uiso 1 1 calc R
H60C H 0.8979 0.0458 0.2164 0.060 Uiso 1 1 calc R
C109 C 1.0359(3) 0.0017(3) 0.9302(2) 0.0410(13) Uani 1 1 d .
H10A H 1.0480 -0.0237 0.8975 0.061 Uiso 1 1 calc R
H10B H 0.9850 -0.0312 0.9244 0.061 Uiso 1 1 calc R
H10C H 1.0702 0.0155 0.9731 0.061 Uiso 1 1 calc R
N8 N 0.7664(3) 0.3733(3) 0.3953(3) 0.0551(14) Uani 1 1 d .
C37 C 0.9100(3) 0.5267(3) 0.8212(2) 0.0401(13) Uani 1 1 d .
C58 C 1.0193(4) 0.1799(3) 0.2649(3) 0.0460(15) Uani 1 1 d .
H58A H 0.9752 0.1808 0.2442 0.069 Uiso 1 1 calc R
H58B H 1.0386 0.1663 0.2330 0.069 Uiso 1 1 calc R
H58C H 1.0573 0.2290 0.2991 0.069 Uiso 1 1 calc R
C47 C 0.77764(5) 0.26142(5) 0.17995(3) 0.0470(15) Uani 1 1 d G
C30 C 0.52836(5) 0.43213(4) 0.85273(3) 0.0432(14) Uani 1 1 d G
H30A H 0.4750 0.3957 0.8313 0.065 Uiso 1 1 calc R
H30B H 0.5430 0.4611 0.8280 0.065 Uiso 1 1 calc R
H30C H 0.5397 0.4651 0.8961 0.065 Uiso 1 1 calc R
C68 C 0.8007(4) -0.2369(3) 0.2843(3) 0.0533(17) Uani 1 1 d .
H68A H 0.8056 -0.2751 0.2564 0.080 Uiso 1 1 calc R
H68B H 0.7736 -0.2566 0.3094 0.080 Uiso 1 1 calc R
H68C H 0.8501 -0.1941 0.3136 0.080 Uiso 1 1 calc R
C110 C 1.1238(3) 0.1212(4) 0.9338(3) 0.0491(16) Uani 1 1 d .
H11A H 1.1328 0.1694 0.9355 0.074 Uiso 1 1 calc R
H11B H 1.1336 0.0974 0.8982 0.074 Uiso 1 1 calc R
H11C H 1.1568 0.1282 0.9744 0.074 Uiso 1 1 calc R
C126 C 0.9091(3) 0.3506(4) 0.6208(3) 0.0543(17) Uani 1 1 d .
H12D H 0.9529 0.3699 0.6595 0.081 Uiso 1 1 calc R
H12E H 0.8648 0.3157 0.6242 0.081 Uiso 1 1 calc R
H12F H 0.9040 0.3915 0.6168 0.081 Uiso 1 1 calc R
C89 C 0.89963(4) 0.40248(4) 0.986409(17) 0.0422(14) Uani 1 1 d G
H89A H 0.9112 0.4363 1.0295 0.063 Uiso 1 1 calc R
H89B H 0.9048 0.4286 0.9584 0.063 Uiso 1 1 calc R
H89C H 0.9339 0.3843 0.9890 0.063 Uiso 1 1 calc R
C38 C 0.9227(4) 0.5998(3) 0.8204(3) 0.0547(18) Uani 1 1 d .
H38A H 0.9642 0.6406 0.8601 0.082 Uiso 1 1 calc R
H38B H 0.8778 0.6017 0.8174 0.082 Uiso 1 1 calc R
H38C H 0.9342 0.6043 0.7833 0.082 Uiso 1 1 calc R
C59 C 1.0681(3) 0.1247(3) 0.3282(3) 0.0418(13) Uani 1 1 d .
H59A H 1.1025 0.1725 0.3652 0.063 Uiso 1 1 calc R
H59B H 1.0919 0.1173 0.2984 0.063 Uiso 1 1 calc R
H59C H 1.0548 0.0851 0.3431 0.063 Uiso 1 1 calc R
C121 C 0.5287(4) 0.3021(3) 0.3461(3) 0.0454(15) Uani 1 1 d .
H12G H 0.5433 0.2944 0.3096 0.068 Uiso 1 1 calc R
H12H H 0.5693 0.3478 0.3828 0.068 Uiso 1 1 calc R
H12I H 0.4844 0.3057 0.3342 0.068 Uiso 1 1 calc R
C10 C 0.3147(4) 0.4597(4) 0.5748(3) 0.0509(16) Uani 1 1 d .
H10D H 0.2991 0.4938 0.5921 0.076 Uiso 1 1 calc R
H10E H 0.2712 0.4095 0.5503 0.076 Uiso 1 1 calc R
H10F H 0.3389 0.4748 0.5465 0.076 Uiso 1 1 calc R
C9 C 0.33211(5) 0.43948(5) 0.67680(4) 0.060(2) Uani 1 1 d G
H9A H 0.3662 0.4382 0.7113 0.090 Uiso 1 1 calc R
H9B H 0.2868 0.3906 0.6526 0.090 Uiso 1 1 calc R
H9C H 0.3196 0.4759 0.6955 0.090 Uiso 1 1 calc R
C137 C 0.8831(3) 0.1525(4) 0.8617(3) 0.0512(15) Uani 1 1 d .
H13D H 0.9028 0.1761 0.8349 0.077 Uiso 1 1 calc R
H13E H 0.8310 0.1383 0.8501 0.077 Uiso 1 1 calc R
H13F H 0.8867 0.1085 0.8546 0.077 Uiso 1 1 calc R
C97 C 0.7093(4) -0.0175(4) 0.9512(3) 0.0558(19) Uani 1 1 d .
O24A O 1.0011(3) 0.2222(4) 0.5739(3) 0.071(2) Uani 0.75 1 d PU
C143 C 0.7329(4) -0.0582(4) 0.1686(3) 0.0562(17) Uani 1 1 d .
H143 H 0.7276 -0.0866 0.1932 0.067 Uiso 1 1 calc R
C108 C 1.02251(5) 0.10954(5) 0.97496(3) 0.0527(17) Uani 1 1 d G
H10G H 1.0578 0.1245 1.0177 0.079 Uiso 1 1 calc R
H10H H 0.9723 0.0746 0.9694 0.079 Uiso 1 1 calc R
H10I H 1.0243 0.1532 0.9706 0.079 Uiso 1 1 calc R
C28 C 0.5452(4) 0.3428(3) 0.8917(3) 0.0519(16) Uani 1 1 d .
H28A H 0.5526 0.3728 0.9348 0.078 Uiso 1 1 calc R
H28B H 0.5739 0.3187 0.8954 0.078 Uiso 1 1 calc R
H28C H 0.4924 0.3052 0.8672 0.078 Uiso 1 1 calc R
C8 C 0.4365(4) 0.5383(3) 0.6696(3) 0.0540(17) Uani 1 1 d .
H8A H 0.4695 0.5393 0.7067 0.081 Uiso 1 1 calc R
H8B H 0.4203 0.5726 0.6847 0.081 Uiso 1 1 calc R
H8C H 0.4631 0.5530 0.6426 0.081 Uiso 1 1 calc R
O38 O 0.7262(4) -0.0877(4) 0.1138(3) 0.105(2) Uani 1 1 d .
N7 N 1.0678(4) 0.4282(4) 0.4145(4) 0.083(2) Uiso 1 1 d .
O33 O 0.8120(3) -0.1523(2) 0.89258(16) 0.115(3) Uani 1 1 d G
C80 C 0.5038(2) -0.0629(2) 0.03966(11) 0.068(2) Uani 1 1 d G
H80A H 0.5563 -0.0282 0.0512 0.103 Uiso 1 1 calc R
H80B H 0.4803 -0.0353 0.0531 0.103 Uiso 1 1 calc R
H80C H 0.4791 -0.0922 -0.0070 0.103 Uiso 1 1 calc R
C117 C 1.1367(3) 0.4017(4) 0.8747(4) 0.071(3) Uani 1 1 d .
C39 C 0.8993(4) 0.5252(4) 0.8827(3) 0.072(3) Uani 1 1 d .
H39A H 0.8968 0.4812 0.8870 0.107 Uiso 1 1 calc R
H39B H 0.8530 0.5236 0.8809 0.107 Uiso 1 1 calc R
H39C H 0.9411 0.5696 0.9197 0.107 Uiso 1 1 calc R
C79 C 0.4129(4) -0.1699(5) 0.0526(3) 0.075(2) Uani 1 1 d .
C131 C 0.7919(3) -0.2078(3) 0.4701(4) 0.073(3) Uani 1 1 d .
H13G H 0.7524 -0.2158 0.4861 0.110 Uiso 1 1 calc R
H13H H 0.8118 -0.2385 0.4779 0.110 Uiso 1 1 calc R
H13I H 0.7717 -0.2211 0.4239 0.110 Uiso 1 1 calc R
C70 C 0.6830(2) -0.28098(18) 0.19568(14) 0.071(2) Uani 1 1 d GU
H70A H 0.6598 -0.2691 0.1629 0.107 Uiso 1 1 calc R
H70B H 0.6511 -0.2962 0.2188 0.107 Uiso 1 1 calc R
H70C H 0.6898 -0.3213 0.1749 0.107 Uiso 1 1 calc R
C88 C 0.8139(4) 0.3014(4) 1.0058(3) 0.066(2) Uani 1 1 d U
H88A H 0.8481 0.2832 1.0097 0.099 Uiso 1 1 calc R
H88B H 0.7630 0.2599 0.9898 0.099 Uiso 1 1 calc R
H88C H 0.8265 0.3377 1.0480 0.099 Uiso 1 1 calc R
C50 C 0.8354(4) 0.2455(4) 0.1609(3) 0.0613(19) Uani 1 1 d .
H50A H 0.8164 0.1924 0.1452 0.092 Uiso 1 1 calc R
H50B H 0.8823 0.2724 0.1987 0.092 Uiso 1 1 calc R
H50C H 0.8438 0.2617 0.1270 0.092 Uiso 1 1 calc R
C78 C 0.5316(5) -0.1572(5) 0.0516(3) 0.082(3) Uani 1 1 d .
H78A H 0.5122 -0.1799 0.0045 0.123 Uiso 1 1 calc R
H78B H 0.5194 -0.1959 0.0675 0.123 Uiso 1 1 calc R
H78C H 0.5856 -0.1244 0.0691 0.123 Uiso 1 1 calc R
C49 C 0.7086(4) 0.2202(5) 0.1205(3) 0.084(3) Uani 1 1 d .
H49A H 0.6859 0.1670 0.1087 0.126 Uiso 1 1 calc R
H49B H 0.7207 0.2311 0.0854 0.126 Uiso 1 1 calc R
H49C H 0.6737 0.2352 0.1282 0.126 Uiso 1 1 calc R
C48 C 0.8125(3) 0.3458(2) 0.20525(16) 0.073(2) Uani 1 1 d G
H48A H 0.8237 0.3617 0.1719 0.110 Uiso 1 1 calc R
H48B H 0.8584 0.3705 0.2435 0.110 Uiso 1 1 calc R
H48C H 0.7777 0.3588 0.2164 0.110 Uiso 1 1 calc R
C120 C 1.1504(4) 0.4676(4) 0.8583(4) 0.084(3) Uani 1 1 d .
H12J H 1.1949 0.5124 0.8929 0.125 Uiso 1 1 calc R
H12K H 1.1076 0.4736 0.8537 0.125 Uiso 1 1 calc R
H12L H 1.1576 0.4590 0.8179 0.125 Uiso 1 1 calc R
C90 C 0.7683(4) 0.3669(4) 0.9524(3) 0.080(3) Uani 1 1 d .
H90A H 0.7811 0.4037 0.9945 0.121 Uiso 1 1 calc R
H90B H 0.7170 0.3260 0.9364 0.121 Uiso 1 1 calc R
H90C H 0.7732 0.3900 0.9221 0.121 Uiso 1 1 calc R
C40 C 0.9786(4) 0.5235(4) 0.8203(4) 0.078(3) Uani 1 1 d .
H40A H 0.9868 0.5287 0.7822 0.117 Uiso 1 1 calc R
H40B H 0.9713 0.4760 0.8191 0.117 Uiso 1 1 calc R
H40C H 1.0219 0.5638 0.8591 0.117 Uiso 1 1 calc R
C125 C 0.8392(5) 0.4169(5) 0.3925(5) 0.087(3) Uani 1 1 d .
H12M H 0.8792 0.4291 0.4311 0.131 Uiso 1 1 calc R
H12N H 0.8447 0.4626 0.3902 0.131 Uiso 1 1 calc R
H12O H 0.8417 0.3878 0.3542 0.131 Uiso 1 1 calc R
C119 C 1.12869(19) 0.42213(19) 0.94266(13) 0.088(3) Uani 1 1 d G
H11D H 1.1193 0.3813 0.9555 0.132 Uiso 1 1 calc R
H11E H 1.0873 0.4304 0.9385 0.132 Uiso 1 1 calc R
H11F H 1.1746 0.4671 0.9753 0.132 Uiso 1 1 calc R
C98 C 0.6965(5) 0.0383(5) 0.9899(3) 0.0678(19) Uani 1 1 d U
H98A H 0.6458 0.0261 0.9682 0.102 Uiso 1 1 calc R
H98B H 0.7319 0.0874 0.9946 0.102 Uiso 1 1 calc R
H98C H 0.7035 0.0382 1.0326 0.102 Uiso 1 1 calc R
O41 O 1.0157(5) 0.3744(5) 0.3115(5) 0.143(3) Uiso 1 1 d .
C124 C 0.6997(5) 0.3597(6) 0.3472(4) 0.087(3) Uani 1 1 d .
C145 C 0.7617(7) 0.0613(6) 0.1666(4) 0.110(4) Uani 1 1 d .
C134 C 0.8290(3) -0.1903(2) 0.84976(17) 0.127(4) Uiso 1 1 d G
H13J H 0.8739 -0.1558 0.8468 0.190 Uiso 1 1 calc R
H13K H 0.7878 -0.2178 0.8075 0.190 Uiso 1 1 calc R
H13L H 0.8376 -0.2250 0.8640 0.190 Uiso 1 1 calc R
C148 C 1.0380(6) 0.4740(6) 0.4283(5) 0.099(3) Uiso 1 1 d .
H14G H 1.0078 0.4587 0.4527 0.149 Uiso 1 1 calc R
H14H H 1.0070 0.4694 0.3879 0.149 Uiso 1 1 calc R
H14I H 1.0785 0.5255 0.4537 0.149 Uiso 1 1 calc R
C118 C 1.2018(5) 0.3925(5) 0.8847(5) 0.100(3) Uani 1 1 d U
H11G H 1.2140 0.3886 0.8467 0.150 Uiso 1 1 calc R
H11H H 1.1900 0.3475 0.8915 0.150 Uiso 1 1 calc R
H11I H 1.2444 0.4353 0.9225 0.150 Uiso 1 1 calc R
C100 C 0.7784(5) -0.0100(6) 0.9900(4) 0.094(3) Uani 1 1 d U
H10J H 0.7737 -0.0190 1.0278 0.141 Uiso 1 1 calc R
H10K H 0.8202 0.0400 1.0039 0.141 Uiso 1 1 calc R
H10L H 0.7871 -0.0461 0.9639 0.141 Uiso 1 1 calc R
C147 C 1.1152(6) 0.4255(7) 0.4644(5) 0.117(4) Uiso 1 1 d .
H14J H 1.1601 0.4746 0.4900 0.176 Uiso 1 1 calc R
H14K H 1.1289 0.3900 0.4460 0.176 Uiso 1 1 calc R
H14L H 1.0898 0.4102 0.4919 0.176 Uiso 1 1 calc R
C135 C 0.9879(8) 0.2628(8) 0.9364(7) 0.143(5) Uiso 1 1 d .
C99 C 0.6501(3) -0.0927(2) 0.93792(16) 0.139(4) Uani 1 1 d GU
H99A H 0.6589 -0.1010 0.9771 0.209 Uiso 1 1 calc R
H99B H 0.6507 -0.1296 0.9040 0.209 Uiso 1 1 calc R
H99C H 0.6017 -0.0969 0.9238 0.209 Uiso 1 1 calc R
O34 O 1.0146(8) 0.2952(9) 1.0067(8) 0.262(7) Uiso 1 1 d .
C136 C 0.8910(7) 0.1764(8) 0.9716(6) 0.134(4) Uiso 1 1 d .
C146 C 1.0536(8) 0.3783(8) 0.3524(7) 0.133(5) Uiso 1 1 d .
H146 H 1.0768 0.3502 0.3480 0.160 Uiso 1 1 calc R
N5 N 0.6497(3) 0.5131(3) 0.7490(2) 0.0423(11) Uiso 1 1 d .
O37 O 0.6190(3) 0.5968(2) 0.7945(2) 0.165(4) Uiso 1 1 d G
C141 C 0.7130(2) 0.50076(18) 0.75963(16) 0.068(3) Uiso 0.75 1 d PG
C140 C 0.6812(3) 0.5835(2) 0.80631(18) 0.122(4) Uiso 1 1 d G
C142 C 0.5824(3) 0.4801(2) 0.70641(18) 0.147(5) Uiso 1 1 d G
C127 C 0.98890(16) 0.35303(16) 0.56928(14) 0.149(6) Uani 1 1 d GU
H12S H 0.9946 0.3932 0.5564 0.223 Uiso 1 1 calc R
H12T H 0.9982 0.3197 0.5403 0.223 Uiso 1 1 calc R
H12U H 1.0245 0.3737 0.6135 0.223 Uiso 1 1 calc R
O24B O 1.0310(13) 0.1991(17) 0.6308(11) 0.105(9) Uani 0.25 1 d P
C14' C 0.6407(10) 0.4447(10) 0.6973(8) 0.024(4) Uiso 0.25 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 '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
O1 Co1 O14 75.6 . .
O1 Co1 O2 99.5 . .
O14 Co1 O2 96.8 . .
O1 Co1 N1 174.2 . .
O14 Co1 N1 99.2 . .
O2 Co1 N1 83.5 . .
O1 Co1 O13 87.5 . .
O14 Co1 O13 93.0 . .
O2 Co1 O13 169.1 . .
N1 Co1 O13 90.3 . .
O1 Co1 S1 78.98(3) . .
O14 Co1 S1 154.00(4) . .
O2 Co1 S1 82.10(3) . .
N1 Co1 S1 106.42(3) . .
O13 Co1 S1 91.11(3) . .
O12 Co12 O175 174.0 . .
O12 Co12 O23 83.3 . .
O175 Co12 O23 92.9 . .
O12 Co12 O11 91.0 . .
O175 Co12 O11 92.7 . .
O23 Co12 O11 174.2 . .
O12 Co12 O29 95.7 . .
O175 Co12 O29 88.2 . .
O23 Co12 O29 79.5 . .
O11 Co12 O29 102.4 . .
O12 Co12 S12 84.28(3) . .
O175 Co12 S12 91.31(3) . .
O23 Co12 S12 93.66(4) . .
O11 Co12 S12 84.44(3) . .
O29 Co12 S12 173.12(4) . .
O9 Co9 O12 96.4 . .
O9 Co9 O22 165.8 . .
O12 Co9 O22 96.4 . .
O9 Co9 O27 77.0 . .
O12 Co9 O27 101.2 . .
O22 Co9 O27 94.6 . .
O9 Co9 O21 100.0 . .
O12 Co9 O21 163.3 . .
O22 Co9 O21 67.7 . .
O27 Co9 O21 85.7 . .
O9 Co9 S9 80.73(3) . .
O12 Co9 S9 81.55(3) . .
O22 Co9 S9 107.16(3) . .
O27 Co9 S9 157.68(4) . .
O21 Co9 S9 97.83(3) . .
O9 Co9 P2 132.97(4) . .
O12 Co9 P2 130.38(3) . .
O22 Co9 P2 34.00(2) . .
O27 Co9 P2 87.86(3) . .
O21 Co9 P2 33.85(2) . .
S9 Co9 P2 107.37(4) . .
O6 Co7 O23 102.8 . .
O6 Co7 O22 87.8 . .
O23 Co7 O22 87.6 . .
O6 Co7 O7 93.2 . .
O23 Co7 O7 153.7 . .
O22 Co7 O7 114.1 . .
O6 Co7 O29 173.9 . .
O23 Co7 O29 79.2 . .
O22 Co7 O29 86.5 . .
O7 Co7 O29 87.1 . .
O6 Co7 S7 85.40(3) . .
O23 Co7 S7 82.19(3) . .
O22 Co7 S7 166.12(4) . .
O7 Co7 S7 78.43(3) . .
O29 Co7 S7 100.66(3) . .
O40 Co4 O4 171.7 . .
O40 Co4 O17 84.2 . .
O4 Co4 O17 102.7 . .
O40 Co4 O2 92.4 . .
O4 Co4 O2 91.5 . .
O17 Co4 O2 95.6 . .
O40 Co4 O20 89.1 . .
O4 Co4 O20 87.0 . .
O17 Co4 O20 84.8 . .
O2 Co4 O20 178.5 . .
O40 Co4 S4 89.77(4) . .
O4 Co4 S4 83.47(3) . .
O17 Co4 S4 173.70(4) . .
O2 Co4 S4 82.86(3) . .
O20 Co4 S4 96.90(3) . .
O15 Co3 O4 108.9 . .
O15 Co3 O21 90.6 . .
O4 Co3 O21 84.1 . .
O15 Co3 O3 92.1 . .
O4 Co3 O3 94.0 . .
O21 Co3 O3 177.1 . .
O15 Co3 O16 88.7 . .
O4 Co3 O16 154.5 . .
O21 Co3 O16 77.3 . .
O3 Co3 O16 103.8 . .
O15 Co3 S3 167.01(4) . .
O4 Co3 S3 82.84(3) . .
O21 Co3 S3 96.14(3) . .
O3 Co3 S3 81.38(3) . .
O16 Co3 S3 82.03(3) . .
O15 Co3 Na1 48.7 . .
O4 Co3 Na1 130.0 . .
O21 Co3 Na1 57.2 . .
O3 Co3 Na1 125.6 . .
O16 Co3 Na1 50.4 . .
S3 Co3 Na1 127.49(3) . .
O1 Co2 O3 97.7 . .
O1 Co2 O14 75.0 . .
O3 Co2 O14 97.4 . .
O1 Co2 O26 161.7 . 2_656
O3 Co2 O26 97.2 . 2_656
O14 Co2 O26 113.4 . 2_656
O1 Co2 O28 99.9 . 2_656
O3 Co2 O28 162.4 . 2_656
O14 Co2 O28 86.0 . 2_656
O26 Co2 O28 65.8 2_656 2_656
O1 Co2 S2 78.03(3) . .
O3 Co2 S2 83.38(3) . .
O14 Co2 S2 152.87(4) . .
O26 Co2 S2 93.29(3) 2_656 .
O28 Co2 S2 101.42(3) 2_656 .
O1 Co2 P3 132.70(4) . 2_656
O3 Co2 P3 129.55(3) . 2_656
O14 Co2 P3 97.83(3) . 2_656
O26 Co2 P3 33.17(2) 2_656 2_656
O28 Co2 P3 32.97(3) 2_656 2_656
S2 Co2 P3 102.47(3) . 2_656
O28 Co11 O11 99.9 . .
O28 Co11 O10 103.1 . .
O11 Co11 O10 100.6 . .
O28 Co11 O30 86.8 . .
O11 Co11 O30 96.3 . .
O10 Co11 O30 158.5 . .
O28 Co11 O13 85.3 . 2_656
O11 Co11 O13 154.8 . 2_656
O10 Co11 O13 102.2 . 2_656
O30 Co11 O13 59.2 . 2_656
O28 Co11 S11 170.54(4) . .
O11 Co11 S11 85.20(3) . .
O10 Co11 S11 83.54(3) . .
O30 Co11 S11 84.74(3) . .
O13 Co11 S11 86.75(3) 2_656 .
O9 Co10 O18 159.4 . 2_656
O9 Co10 O10 96.7 . .
O18 Co10 O10 103.0 2_656 .
O9 Co10 O27 77.2 . .
O18 Co10 O27 106.0 2_656 .
O10 Co10 O27 96.1 . .
O9 Co10 O16 79.9 . .
O18 Co10 O16 80.1 2_656 .
O10 Co10 O16 175.3 . .
O27 Co10 O16 86.4 . .
O9 Co10 S10 81.00(3) . .
O18 Co10 S10 95.41(3) 2_656 .
O10 Co10 S10 83.48(3) . .
O27 Co10 S10 158.00(4) . .
O16 Co10 S10 92.72(3) . .
O9 Co10 Na1 97.4 . .
O18 Co10 Na1 72.2 2_656 .
O10 Co10 Na1 136.1 . .
O27 Co10 Na1 47.8 . .
O16 Co10 Na1 48.1 . .
S10 Co10 Na1 139.77(3) . .
O7 Co8 O31 170.8 . .
O7 Co8 O8 99.0 . .
O31 Co8 O8 90.1 . .
O7 Co8 O26 90.8 . .
O31 Co8 O26 80.0 . .
O8 Co8 O26 169.2 . .
O7 Co8 O19 94.2 . .
O31 Co8 O19 87.1 . .
O8 Co8 O19 76.7 . .
O26 Co8 O19 98.3 . .
O7 Co8 S8 85.57(3) . .
O31 Co8 S8 96.93(3) . .
O8 Co8 S8 79.74(3) . .
O26 Co8 S8 105.58(3) . .
O19 Co8 S8 156.12(4) . .
O7 Co8 Na1 126.8 . .
O31 Co8 Na1 47.3 . .
O8 Co8 Na1 112.6 . .
O26 Co8 Na1 57.3 . .
O19 Co8 Na1 56.2 . .
S8 Co8 Na1 139.73(3) . .
O8 Co5 O5 99.5 . .
O8 Co5 O17 127.5 . .
O5 Co5 O17 132.8 . .
O8 Co5 O19 77.8 . .
O5 Co5 O19 103.4 . .
O17 Co5 O19 91.5 . .
O8 Co5 S5 80.23(3) . .
O5 Co5 S5 80.58(3) . .
O17 Co5 S5 101.61(3) . .
O19 Co5 S5 157.98(4) . .
O5 Co6 O39 87.9 . .
O5 Co6 N2 173.8 . .
O39 Co6 N2 98.2 . .
O5 Co6 O20 86.6 . .
O39 Co6 O20 88.5 . .
N2 Co6 O20 94.4 . .
O5 Co6 O6 88.0 . .
O39 Co6 O6 161.4 . .
N2 Co6 O6 85.8 . .
O20 Co6 O6 109.3 . .
O5 Co6 S6 82.77(3) . .
O39 Co6 S6 81.11(3) . .
N2 Co6 S6 97.22(4) . .
O20 Co6 S6 165.39(4) . .
O6 Co6 S6 80.42(3) . .
C66 S8 C72 106.25(6) . .
C66 S8 Co8 90.89(4) . .
C72 S8 Co8 96.06(4) . .
C32 S4 C12 99.44(5) . .
C32 S4 Co4 94.74(4) . .
C12 S4 Co4 96.28(5) . .
O29 P3 O28 111.93(6) . .
O29 P3 O27 109.27(6) . .
O28 P3 O27 110.54(6) . .
O29 P3 O26 112.34(6) . .
O28 P3 O26 103.74(6) . .
O27 P3 O26 108.89(6) . .
O29 P3 Co2 134.88(5) . 2_656
O28 P3 Co2 55.85(4) . 2_656
O27 P3 Co2 115.62(5) . 2_656
O26 P3 Co2 48.63(3) . 2_656
O29 P3 Na1 125.80(5) . .
O28 P3 Na1 122.2 . .
O27 P3 Na1 50.1 . .
O26 P3 Na1 58.8 . .
Co2 P3 Na1 82.77(3) 2_656 .
C106 S12 C112 102.62(14) . .
C106 S12 Co12 95.51(14) . .
C112 S12 Co12 94.31(4) . .
C36 S3 C26 102.02(14) . .
C36 S3 Co3 95.62(4) . .
C26 S3 Co3 97.05(13) . .
C102 S11 C96 102.45(6) . .
C102 S11 Co11 94.57(4) . .
C96 S11 Co11 95.81(4) . .
C82 S10 C92 101.74(5) . .
C82 S10 Co10 94.86(4) . .
C92 S10 Co10 93.74(4) . .
C16 S1 C2 102.65(18) . .
C16 S1 Co1 93.40(14) . .
C2 S1 Co1 95.52(13) . .
C62 S7 C56 100.14(5) . .
C62 S7 Co7 98.91(4) . .
C56 S7 Co7 93.10(4) . .
C6 S2 C22 99.74(13) . .
C6 S2 Co2 96.66(4) . .
C22 S2 Co2 92.18(13) . .
C116 S9 C86 102.35(14) . .
C116 S9 Co9 94.05(15) . .
C86 S9 Co9 94.08(4) . .
C42 S6 C52 102.58(15) . .
C42 S6 Co6 93.45(4) . .
C52 S6 Co6 98.69(13) . .
O19 P2 O20 107.08(6) . .
O19 P2 O21 111.58(6) . .
O20 P2 O21 113.60(6) . .
O19 P2 O22 110.00(6) . .
O20 P2 O22 111.63(6) . .
O21 P2 O22 102.99(6) . .
O19 P2 Co9 120.30(5) . .
O20 P2 Co9 132.52(5) . .
O21 P2 Co9 52.57(3) . .
O22 P2 Co9 50.69(3) . .
O19 P2 Na1 55.6 . .
O20 P2 Na1 140.23(5) . .
O21 P2 Na1 57.7 . .
O22 P2 Na1 108.1 . .
Co9 P2 Na1 76.50(3) . .
C46 S5 C76 100.87(14) . .
C46 S5 Co5 93.70(4) . .
C76 S5 Co5 93.41(13) . .
O18 P1 O14 110.90(6) . .
O18 P1 O15 112.13(6) . .
O14 P1 O15 107.88(6) . .
O18 P1 O17 108.80(6) . .
O14 P1 O17 106.66(6) . .
O15 P1 O17 110.34(6) . .
O18 P1 Na1 71.2 . 2_656
O14 P1 Na1 101.2 . 2_656
O15 P1 Na1 48.0 . 2_656
O17 P1 Na1 149.6 . 2_656
O31 Na1 O15 87.4 . .
O31 Na1 O27 122.7 . .
O15 Na1 O27 141.4 . .
O31 Na1 O16 158.6 . .
O15 Na1 O16 78.5 . .
O27 Na1 O16 77.3 . .
O31 Na1 O19 70.1 . .
O15 Na1 O19 78.3 . .
O27 Na1 O19 89.4 . .
O16 Na1 O19 121.5 . .
O31 Na1 O26 63.8 . .
O15 Na1 O26 145.7 . .
O27 Na1 O26 59.2 . .
O16 Na1 O26 134.2 . .
O19 Na1 O26 74.7 . .
O31 Na1 O15 74.2 . 2_656
O15 Na1 O15 105.5 . 2_656
O27 Na1 O15 105.8 . 2_656
O16 Na1 O15 94.1 . 2_656
O19 Na1 O15 143.9 . 2_656
O26 Na1 O15 85.1 . 2_656
O31 Na1 O21 125.9 . .
O15 Na1 O21 71.9 . .
O27 Na1 O21 70.7 . .
O16 Na1 O21 64.7 . .
O19 Na1 O21 57.2 . .
O26 Na1 O21 109.1 . .
O15 Na1 O21 158.7 2_656 .
O31 Na1 Na1 74.2 . 2_656
O15 Na1 Na1 57.2 . 2_656
O27 Na1 Na1 147.4 . 2_656
O16 Na1 Na1 84.7 . 2_656
O19 Na1 Na1 123.2 . 2_656
O26 Na1 Na1 124.5 . 2_656
O15 Na1 Na1 48.3 2_656 2_656
O21 Na1 Na1 124.9 . 2_656
O31 Na1 P3 93.7 . .
O15 Na1 P3 157.0 . .
O27 Na1 P3 29.2 . .
O16 Na1 P3 105.6 . .
O19 Na1 P3 80.4 . .
O26 Na1 P3 30.1 . .
O15 Na1 P3 96.9 2_656 .
O21 Na1 P3 89.1 . .
Na1 Na1 P3 144.9 2_656 .
O31 Na1 Co8 39.6 . .
O15 Na1 Co8 103.9 . .
O27 Na1 Co8 89.8 . .
O16 Na1 Co8 160.2 . .
O19 Na1 Co8 42.3 . .
O26 Na1 Co8 42.0 . .
O15 Na1 Co8 104.0 2_656 .
O21 Na1 Co8 97.1 . .
Na1 Na1 Co8 113.4 2_656 .
P3 Na1 Co8 64.61(2) . .
O31 Na1 Co3 126.6 . .
O15 Na1 Co3 41.1 . .
O27 Na1 Co3 101.8 . .
O16 Na1 Co3 46.0 . .
O19 Na1 Co3 83.5 . .
O26 Na1 Co3 150.6 . .
O15 Na1 Co3 123.3 2_656 .
O21 Na1 Co3 41.6 . .
Na1 Na1 Co3 84.0 2_656 .
P3 Na1 Co3 127.48(2) . .
Co8 Na1 Co3 124.76(2) . .
P3 O27 Co10 133.89(4) . .
P3 O27 Co9 121.78(4) . .
Co10 O27 Co9 96.32(3) . .
P3 O27 Na1 100.7 . .
Co10 O27 Na1 91.5 . .
Co9 O27 Na1 105.9 . .
P3 O29 Co12 122.69(4) . .
P3 O29 Co7 130.18(4) . .
Co12 O29 Co7 98.85(3) . .
C21 O3 Co2 119.28(18) . .
C21 O3 Co3 120.76(18) . .
Co2 O3 Co3 119.09(3) . .
P2 O21 Co3 131.11(4) . .
P2 O21 Co9 93.58(4) . .
Co3 O21 Co9 135.30(3) . .
P2 O21 Na1 93.3 . .
Co3 O21 Na1 81.2 . .
Co9 O21 Na1 97.6 . .
C128 O23 Co7 128.1 . .
C128 O23 Co12 128.0 . .
Co7 O23 Co12 102.42(3) . .
P1 O18 Co10 140.99(5) . 2_656
P1 O14 Co1 132.08(5) . .
P1 O14 Co2 124.60(5) . .
Co1 O14 Co2 101.92(3) . .
C81 O9 Co9 125.6 . .
C81 O9 Co10 125.1 . .
Co9 O9 Co10 108.73(3) . .
C172 O16 Co3 105.3 . .
C172 O16 Co10 106.6 . .
Co3 O16 Co10 147.81(3) . .
C172 O16 Na1 112.9 . .
Co3 O16 Na1 83.6 . .
Co10 O16 Na1 87.4 . .
P3 O26 Co8 129.51(4) . .
P3 O26 Co2 98.19(4) . 2_656
Co8 O26 Co2 131.63(3) . 2_656
P3 O26 Na1 91.1 . .
Co8 O26 Na1 80.8 . .
Co2 O26 Na1 109.3 2_656 .
P2 O22 Co7 122.15(4) . .
P2 O22 Co9 95.32(4) . .
Co7 O22 Co9 122.84(3) . .
P2 O20 Co6 113.54(4) . .
P2 O20 Co4 123.15(4) . .
Co6 O20 Co4 120.00(3) . .
C61 O7 Co8 117.81(18) . .
C61 O7 Co7 122.60(18) . .
Co8 O7 Co7 115.96(3) . .
P1 O17 Co5 123.63(5) . .
P1 O17 Co4 126.04(4) . .
Co5 O17 Co4 102.84(3) . .
C91 O10 Co11 119.6 . .
C91 O10 Co10 119.6 . .
Co11 O10 Co10 120.77(3) . .
P1 O15 Co3 121.66(5) . .
P1 O15 Na1 135.1 . .
Co3 O15 Na1 90.2 . .
P1 O15 Na1 106.7 . 2_656
Co3 O15 Na1 122.1 . 2_656
Na1 O15 Na1 74.5 . 2_656
C130 O175 Co12 121.1 . .
C41 O5 Co5 124.18(19) . .
C41 O5 Co6 117.01(19) . .
Co5 O5 Co6 112.26(3) . .
P3 O28 Co11 124.18(5) . .
P3 O28 Co2 91.18(4) . 2_656
Co11 O28 Co2 137.43(3) . 2_656
C172 O31 Co8 127.76(6) 2_656 .
C172 O31 Na1 135.7 2_656 .
Co8 O31 Na1 93.1 . .
C31 O4 Co4 117.4 . .
C31 O4 Co3 118.7 . .
Co4 O4 Co3 118.72(3) . .
C111 O12 Co9 121.9 . .
C111 O12 Co12 116.3 . .
Co9 O12 Co12 117.29(3) . .
C11 O2 Co1 119.3 . .
C11 O2 Co4 119.3 . .
Co1 O2 Co4 120.60(3) . .
C101 O11 Co11 118.17(18) . .
C101 O11 Co12 117.03(18) . .
Co11 O11 Co12 124.59(3) . .
C129 O30 Co11 92.4 . .
C129 O13 Co1 121.41(7) 2_656 .
C129 O13 Co11 86.54(7) 2_656 2_656
Co1 O13 Co11 134.92(3) . 2_656
C71 O8 Co5 126.08(18) . .
C71 O8 Co8 125.74(18) . .
Co5 O8 Co8 107.86(3) . .
C1 O1 Co1 124.6 . .
C1 O1 Co2 126.5 . .
Co1 O1 Co2 105.25(3) . .
P2 O19 Co8 148.48(4) . .
P2 O19 Co5 107.68(4) . .
Co8 O19 Co5 97.67(3) . .
P2 O19 Na1 95.5 . .
Co8 O19 Na1 81.5 . .
Co5 O19 Na1 130.2 . .
C51 O6 Co7 117.47(19) . .
C51 O6 Co6 119.40(18) . .
Co7 O6 Co6 122.81(3) . .
C123 O40 Co4 121.2 . .
C123 O39 Co6 124.5 . .
C122 N1 C121 109.7(3) . .
C122 N1 Co1 116.62(17) . .
C121 N1 Co1 110.3(2) . .
O1 C1 C2 122.37(16) . .
O1 C1 C6 120.6 . .
C2 C1 C6 117.01(16) . .
O2 C11 C16 123.76(16) . .
O2 C11 C12 121.5 . .
C16 C11 C12 114.69(16) . .
C13 C12 C11 122.24(18) . .
C13 C12 S4 118.01(18) . .
C11 C12 S4 119.7 . .
C65 C66 C61 121.05(16) . .
C65 C66 S8 118.2 . .
C61 C66 S8 120.56(17) . .
O31 C172 O16 125.0 2_656 .
O31 C172 H172 117.5 2_656 .
O16 C172 H172 117.5 . .
C64 C65 C66 122.01(17) . .
C64 C65 H65 119.0 . .
C66 C65 H65 119.0 . .
O5 C41 C46 122.0(3) . .
O5 C41 C42 121.0(3) . .
C46 C41 C42 117.0(3) . .
C25 C26 C21 122.4(3) . .
C25 C26 S3 118.5(2) . .
C21 C26 S3 119.0(3) . .
C72 C73 C74 121.1(3) . .
C72 C73 H73 119.5 . .
C74 C73 H73 119.5 . .
O7 C61 C62 120.8(3) . .
O7 C61 C66 123.3(3) . .
C62 C61 C66 115.9(3) . .
C31 C32 C33 122.74(19) . .
C31 C32 S4 119.1 . .
C33 C32 S4 118.12(19) . .
C34 C35 C36 122.85(18) . .
C34 C35 H35 118.6 . .
C36 C35 H35 118.6 . .
C143 N6 C144 123.1(5) . .
C143 N6 C145 122.9(6) . .
C144 N6 C145 113.9(5) . .
C23 C22 C21 122.1(3) . .
C23 C22 S2 117.5(3) . .
C21 C22 S2 120.3(3) . .
C14 C13 C12 121.9(3) . .
C14 C13 H13 119.1 . .
C12 C13 H13 119.1 . .
O10 C91 C96 122.0 . .
O10 C91 C92 123.2 . .
C96 C91 C92 114.8 . .
C130 N3 C131 121.7(2) . .
C130 N3 C132 121.3 . .
C131 N3 C132 117.0(2) . .
C5 C6 C1 121.7 . .
C5 C6 S2 121.6 . .
C1 C6 S2 116.7 . .
C94 C96 C91 122.8 . .
C94 C96 S11 118.4 . .
C91 C96 S11 118.7 . .
O9 C81 C86 121.9 . .
O9 C81 C82 120.8 . .
C86 C81 C82 117.3 . .
O12 C111 C112 122.8 . .
O12 C111 C116 122.64(18) . .
C112 C111 C116 114.59(18) . .
C75 C74 C73 117.3(2) . .
C75 C74 C77 122.8(3) . .
C73 C74 C77 119.9(3) . .
C84 C85 C86 121.61(18) . .
C84 C85 H85 119.2 . .
C86 C85 H85 119.2 . .
O4 C31 C32 122.8 . .
O4 C31 C36 121.7 . .
C32 C31 C36 115.6 . .
C16 C15 C14 122.25(17) . .
C16 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
O11 C101 C106 122.8(3) . .
O11 C101 C102 122.2(3) . .
C106 C101 C102 115.0(3) . .
O3 C21 C26 121.5(3) . .
O3 C21 C22 123.6(3) . .
C26 C21 C22 114.8(3) . .
C82 C83 C84 122.0(3) . .
C82 C83 H83 119.0 . .
C84 C83 H83 119.0 . .
C61 C62 C63 122.5(2) . .
C61 C62 S7 117.62(17) . .
C63 C62 S7 119.85(19) . .
C24 C23 C22 122.2(2) . .
C24 C23 H23 118.9 . .
C22 C23 H23 118.9 . .
O6 C51 C52 122.4(4) . .
O6 C51 C56 123.6(3) . .
C52 C51 C56 114.0(3) . .
O8 C71 C76 122.2(3) . .
O8 C71 C72 120.0(3) . .
C76 C71 C72 117.8(3) . .
C15 C16 C11 122.3(3) . .
C15 C16 S1 117.5(3) . .
C11 C16 S1 120.2(3) . .
C113 C112 C111 122.5 . .
C113 C112 S12 119.2 . .
C111 C112 S12 118.3 . .
C106 C105 C104 121.37(17) . .
C106 C105 H105 119.3 . .
C104 C105 H105 119.3 . .
C64 C63 C62 121.7(4) . .
C64 C63 H63 119.1 . .
C62 C63 H63 119.1 . .
C3 C2 C1 120.8(3) . .
C3 C2 S1 122.7(3) . .
C1 C2 S1 116.5(2) . .
C85 C84 C83 117.3(3) . .
C85 C84 C87 121.6(3) . .
C83 C84 C87 120.9(3) . .
C3 C4 C5 117.3 . .
C3 C4 C7 120.5 . .
C5 C4 C7 122.2 . .
C83 C82 C81 120.55(19) . .
C83 C82 S10 121.37(19) . .
C81 C82 S10 118.0 . .
C35 C36 C31 121.1 . .
C35 C36 S3 120.2 . .
C31 C36 S3 118.7 . .
C73 C72 C71 120.7(2) . .
C73 C72 S8 120.73(18) . .
C71 C72 S8 118.36(15) . .
C93 C92 C91 121.67(18) . .
C93 C92 S10 118.61(19) . .
C91 C92 S10 119.7 . .
C85 C86 C81 121.1 . .
C85 C86 S9 121.4 . .
C81 C86 S9 117.3 . .
C41 C46 C45 120.5(3) . .
C41 C46 S5 119.26(16) . .
C45 C46 S5 120.3(2) . .
O30 C129 O13 121.8 . 2_656
O30 C129 H129 119.1 . .
O13 C129 H129 119.1 2_656 .
C43 C42 C41 121.38(16) . .
C43 C42 S6 119.5 . .
C41 C42 S6 119.09(16) . .
C55 C56 C51 122.7(2) . .
C55 C56 S7 117.01(19) . .
C51 C56 S7 120.24(16) . .
C2 C3 C4 122.26(16) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C105 C106 C101 123.1(3) . .
C105 C106 S12 116.9(3) . .
C101 C106 S12 120.0(3) . .
C95 C93 C92 122.6(4) . .
C95 C93 H93 118.7 . .
C92 C93 H93 118.7 . .
C6 C5 C4 121.0 . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C56 C55 C54 122.6(3) . .
C56 C55 H55 118.7 . .
C54 C55 H55 118.7 . .
C34 C33 C32 121.6(4) . .
C34 C33 H33 119.2 . .
C32 C33 H33 119.2 . .
N1 C122 H12A 109.5 . .
N1 C122 H12B 109.5 . .
H12A C122 H12B 109.5 . .
N1 C122 H12C 109.5 . .
H12A C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C63 C64 C65 116.8(3) . .
C63 C64 C67 120.2(4) . .
C65 C64 C67 123.0(3) . .
C13 C14 C15 116.55(18) . .
C13 C14 C17 121.5(2) . .
C15 C14 C17 121.86(17) . .
C127 N2 C126 111.5(3) . .
C127 N2 Co6 120.10(13) . .
C126 N2 Co6 119.1(3) . .
C103 C102 C101 121.5(3) . .
C103 C102 S11 118.7(2) . .
C101 C102 S11 119.75(17) . .
C26 C25 C24 122.5(2) . .
C26 C25 H25 118.8 . .
C24 C25 H25 118.8 . .
C104 C103 C102 122.5(3) . .
C104 C103 H103 118.7 . .
C102 C103 H103 118.7 . .
C95 C94 C96 120.93(18) . .
C95 C94 H94 119.5 . .
C96 C94 H94 119.5 . .
C35 C34 C33 116.1(4) . .
C35 C34 C37 123.8(4) . .
C33 C34 C37 120.0(4) . .
C74 C75 C76 121.9(3) . .
C74 C75 H75 119.1 . .
C76 C75 H75 119.1 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C115 C116 C111 122.4(4) . .
C115 C116 S9 118.7(4) . .
C111 C116 S9 118.9(3) . .
C103 C104 C105 116.49(17) . .
C103 C104 C107 121.00(17) . .
C105 C104 C107 122.5 . .
O39 C123 O40 125.2 . .
O39 C123 N8 117.3(2) . .
O40 C123 N8 117.5(2) . .
C53 C54 C55 116.1(2) . .
C53 C54 C57 124.75(17) . .
C55 C54 C57 119.19(17) . .
O175 C130 N3 124.1 . .
O175 C130 H130 117.9 . .
N3 C130 H130 117.9 . .
C44 C45 C46 122.3(3) . .
C44 C45 H45 118.9 . .
C46 C45 H45 118.9 . .
C112 C113 C114 122.5(2) . .
C112 C113 H113 118.7 . .
C114 C113 H113 118.7 . .
C54 C53 C52 121.5(3) . .
C54 C53 H53 119.3 . .
C52 C53 H53 119.3 . .
C75 C76 C71 121.2(4) . .
C75 C76 S5 121.1(3) . .
C71 C76 S5 117.7(3) . .
C93 C95 C94 117.2(3) . .
C93 C95 C97 122.5(4) . .
C94 C95 C97 120.2(4) . .
C53 C52 C51 123.1(4) . .
C53 C52 S6 118.0(3) . .
C51 C52 S6 118.8(3) . .
C28 C27 C30 110.2(3) . .
C28 C27 C29 109.5(3) . .
C30 C27 C29 106.9(2) . .
C28 C27 C24 107.9(3) . .
C30 C27 C24 111.03(16) . .
C29 C27 C24 111.4(2) . .
C44 C43 C42 121.8 . .
C44 C43 H43 119.1 . .
C42 C43 H43 119.1 . .
C18 C17 C19 110.3(4) . .
C18 C17 C20 109.9(4) . .
C19 C17 C20 106.0(3) . .
C18 C17 C14 108.0(3) . .
C19 C17 C14 110.8(3) . .
C20 C17 C14 111.9(3) . .
C23 C24 C25 115.9(3) . .
C23 C24 C27 122.2(3) . .
C25 C24 C27 121.8(3) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C8 C7 C4 109.8(2) . .
C8 C7 C10 110.1(4) . .
C4 C7 C10 108.6(2) . .
C8 C7 C9 107.1(2) . .
C4 C7 C9 111.7 . .
C10 C7 C9 109.4(2) . .
O24B C128 O24A 96.2(17) . .
O24B C128 O23 136.9(16) . .
O24A C128 O23 125.2(3) . .
C43 C44 C45 117.03(18) . .
C43 C44 C47 120.0 . .
C45 C44 C47 122.90(18) . .
N6 C144 H14A 109.5 . .
N6 C144 H14B 109.5 . .
H14A C144 H14B 109.5 . .
N6 C144 H14C 109.5 . .
H14A C144 H14C 109.5 . .
H14B C144 H14C 109.5 . .
C80 C77 C78 110.1(4) . .
C80 C77 C74 112.6(3) . .
C78 C77 C74 111.2(4) . .
C80 C77 C79 109.2(5) . .
C78 C77 C79 107.1(6) . .
C74 C77 C79 106.6(4) . .
C69 C67 C70 109.6(2) . .
C69 C67 C68 109.4(3) . .
C70 C67 C68 108.6(3) . .
C69 C67 C64 109.0(3) . .
C70 C67 C64 110.7(2) . .
C68 C67 C64 109.5(3) . .
C54 C57 C59 110.5(2) . .
C54 C57 C60 108.6 . .
C59 C57 C60 109.6(2) . .
C54 C57 C58 111.45(19) . .
C59 C57 C58 108.7(3) . .
C60 C57 C58 107.9(2) . .
C110 C107 C108 112.0(3) . .
C110 C107 C104 112.32(19) . .
C108 C107 C104 108.6 . .
C110 C107 C109 106.4(3) . .
C108 C107 C109 107.4(2) . .
C104 C107 C109 110.0(2) . .
C89 C87 C90 108.4(3) . .
C89 C87 C88 107.6(3) . .
C90 C87 C88 110.6(5) . .
C89 C87 C84 112.99(18) . .
C90 C87 C84 106.6(3) . .
C88 C87 C84 110.7(3) . .
C135 N4 C137 110.3(7) . .
C135 N4 C136 137.9(8) . .
C137 N4 C136 111.7(6) . .
N3 C132 H13A 109.5 . .
N3 C132 H13B 109.5 . .
H13A C132 H13B 109.5 . .
N3 C132 H13C 109.5 . .
H13A C132 H13C 109.5 . .
H13B C132 H13C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C116 C115 C114 122.2(5) . .
C116 C115 H115 118.9 . .
C114 C115 H115 118.9 . .
C115 C114 C113 115.8(4) . .
C115 C114 C117 120.9(5) . .
C113 C114 C117 123.2(4) . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C107 C109 H10A 109.5 . .
C107 C109 H10B 109.5 . .
H10A C109 H10B 109.5 . .
C107 C109 H10C 109.5 . .
H10A C109 H10C 109.5 . .
H10B C109 H10C 109.5 . .
C123 N8 C124 119.1(5) . .
C123 N8 C125 121.3(5) . .
C124 N8 C125 118.0(6) . .
C39 C37 C38 107.7(5) . .
C39 C37 C40 110.8(6) . .
C38 C37 C40 107.6(6) . .
C39 C37 C34 111.7(5) . .
C38 C37 C34 110.8(4) . .
C40 C37 C34 108.1(5) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C49 C47 C44 113.1(2) . .
C49 C47 C48 112.5(4) . .
C44 C47 C48 108.08(10) . .
C49 C47 C50 106.7(4) . .
C44 C47 C50 110.3(2) . .
C48 C47 C50 105.9(3) . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C107 C110 H11A 109.5 . .
C107 C110 H11B 109.5 . .
H11A C110 H11B 109.5 . .
C107 C110 H11C 109.5 . .
H11A C110 H11C 109.5 . .
H11B C110 H11C 109.5 . .
N2 C126 H12D 109.5 . .
N2 C126 H12E 109.5 . .
H12D C126 H12E 109.5 . .
N2 C126 H12F 109.5 . .
H12D C126 H12F 109.5 . .
H12E C126 H12F 109.5 . .
C87 C89 H89A 109.5 . .
C87 C89 H89B 109.5 . .
H89A C89 H89B 109.5 . .
C87 C89 H89C 109.5 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.5 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N1 C121 H12G 109.5 . .
N1 C121 H12H 109.5 . .
H12G C121 H12H 109.5 . .
N1 C121 H12I 109.5 . .
H12G C121 H12I 109.5 . .
H12H C121 H12I 109.5 . .
C7 C10 H10D 109.5 . .
C7 C10 H10E 109.5 . .
H10D C10 H10E 109.5 . .
C7 C10 H10F 109.5 . .
H10D C10 H10F 109.5 . .
H10E C10 H10F 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N4 C137 H13D 109.5 . .
N4 C137 H13E 109.5 . .
H13D C137 H13E 109.5 . .
N4 C137 H13F 109.5 . .
H13D C137 H13F 109.5 . .
H13E C137 H13F 109.5 . .
C100 C97 C99 104.2(6) . .
C100 C97 C98 109.9(7) . .
C99 C97 C98 109.2(5) . .
C100 C97 C95 112.6(5) . .
C99 C97 C95 108.6(5) . .
C98 C97 C95 112.1(5) . .
C128 O24A O24B 37.3(9) . .
O38 C143 N6 126.4(8) . .
O38 C143 H143 116.8 . .
N6 C143 H143 116.8 . .
C107 C108 H10G 109.5 . .
C107 C108 H10H 109.5 . .
H10G C108 H10H 109.5 . .
C107 C108 H10I 109.5 . .
H10G C108 H10I 109.5 . .
H10H C108 H10I 109.5 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C147 N7 C148 120.8(9) . .
C147 N7 C146 111.4(10) . .
C148 N7 C146 127.8(10) . .
C77 C80 H80A 109.5 . .
C77 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C77 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C118 C117 C120 111.2(8) . .
C118 C117 C114 113.3(6) . .
C120 C117 C114 110.1(6) . .
C118 C117 C119 106.9(7) . .
C120 C117 C119 105.7(5) . .
C114 C117 C119 109.4(6) . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
N3 C131 H13G 109.5 . .
N3 C131 H13H 109.5 . .
H13G C131 H13H 109.5 . .
N3 C131 H13I 109.5 . .
H13G C131 H13I 109.5 . .
H13H C131 H13I 109.5 . .
C67 C70 H70A 109.5 . .
C67 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C67 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C87 C88 H88A 109.5 . .
C87 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C87 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C47 C50 H50A 109.5 . .
C47 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C47 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C77 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C77 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C117 C120 H12J 109.5 . .
C117 C120 H12K 109.5 . .
H12J C120 H12K 109.5 . .
C117 C120 H12L 109.5 . .
H12J C120 H12L 109.5 . .
H12K C120 H12L 109.5 . .
C87 C90 H90A 109.5 . .
C87 C90 H90B 109.5 . .
H90A C90 H90B 109.5 . .
C87 C90 H90C 109.5 . .
H90A C90 H90C 109.5 . .
H90B C90 H90C 109.5 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N8 C125 H12M 109.5 . .
N8 C125 H12N 109.5 . .
H12M C125 H12N 109.5 . .
N8 C125 H12O 109.5 . .
H12M C125 H12O 109.5 . .
H12N C125 H12O 109.5 . .
C117 C119 H11D 109.5 . .
C117 C119 H11E 109.5 . .
H11D C119 H11E 109.5 . .
C117 C119 H11F 109.5 . .
H11D C119 H11F 109.5 . .
H11E C119 H11F 109.5 . .
C97 C98 H98A 109.5 . .
C97 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C97 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
O33 C134 H13J 109.5 . .
O33 C134 H13K 109.5 . .
H13J C134 H13K 109.5 . .
O33 C134 H13L 109.5 . .
H13J C134 H13L 109.5 . .
H13K C134 H13L 109.5 . .
N7 C148 H14G 109.5 . .
N7 C148 H14H 109.5 . .
H14G C148 H14H 109.5 . .
N7 C148 H14I 109.5 . .
H14G C148 H14I 109.5 . .
H14H C148 H14I 109.5 . .
C117 C118 H11G 109.5 . .
C117 C118 H11H 109.5 . .
H11G C118 H11H 109.5 . .
C117 C118 H11I 109.5 . .
H11G C118 H11I 109.5 . .
H11H C118 H11I 109.5 . .
C97 C100 H10J 109.5 . .
C97 C100 H10K 109.5 . .
H10J C100 H10K 109.5 . .
C97 C100 H10L 109.5 . .
H10J C100 H10L 109.5 . .
H10K C100 H10L 109.5 . .
N7 C147 H14J 109.5 . .
N7 C147 H14K 109.5 . .
H14J C147 H14K 109.5 . .
N7 C147 H14L 109.5 . .
H14J C147 H14L 109.5 . .
H14K C147 H14L 109.5 . .
N4 C135 O34 92.9(11) . .
C97 C99 H99A 109.5 . .
C97 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C97 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
O41 C146 N7 116.8(15) . .
O41 C146 H146 121.6 . .
N7 C146 H146 121.6 . .
C142 N5 C141 137.3(4) . .
C142 N5 C140 121.2(4) . .
C141 N5 C140 101.5(4) . .
C142 N5 C14' 75.7(7) . .
C141 N5 C14' 61.7(7) . .
C140 N5 C14' 163.1(8) . .
N5 C141 C14' 61.4(7) . .
O37 C140 N5 101.3(2) . .
N5 C142 C14' 58.8(6) . .
N2 C127 H12S 109.5 . .
N2 C127 H12T 109.5 . .
H12S C127 H12T 109.5 . .
N2 C127 H12U 109.5 . .
H12S C127 H12U 109.5 . .
H12T C127 H12U 109.5 . .
C128 O24B O24A 46.5(11) . .
N5 C14' C141 56.9(7) . .
N5 C14' C142 45.5(5) . .
C141 C14' C142 102.5(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.0223 .
Co1 O14 2.0687 .
Co1 O2 2.0889 .
Co1 N1 2.1279 .
Co1 O13 2.1575 .
Co1 S1 2.5623(11) .
Co12 O12 2.0591 .
Co12 O175 2.0592 .
Co12 O23 2.0850 .
Co12 O11 2.1057 .
Co12 O29 2.1323 .
Co12 S12 2.4082(11) .
Co9 O9 1.9657 .
Co9 O12 2.0351 .
Co9 O22 2.1395 .
Co9 O27 2.1715 .
Co9 O21 2.1907 .
Co9 S9 2.5513(11) .
Co9 P2 2.7533(11) .
Co7 O6 2.0494 .
Co7 O23 2.0839 .
Co7 O22 2.1048 .
Co7 O7 2.1449 .
Co7 O29 2.1457 .
Co7 S7 2.4745(11) .
Co4 O40 2.0449 .
Co4 O4 2.0551 .
Co4 O17 2.1129 .
Co4 O2 2.1175 .
Co4 O20 2.2910 .
Co4 S4 2.4317(12) .
Co3 O15 2.0704 .
Co3 O4 2.0734 .
Co3 O21 2.1160 .
Co3 O3 2.1221 .
Co3 O16 2.2823 .
Co3 S3 2.4525(11) .
Co3 Na1 3.1522 .
Co2 O1 2.0351 .
Co2 O3 2.0500 .
Co2 O14 2.0828 .
Co2 O26 2.1406 2_656
Co2 O28 2.3369 2_656
Co2 S2 2.5464(11) .
Co2 P3 2.8232(11) 2_656
Co11 O28 2.0170 .
Co11 O11 2.0474 .
Co11 O10 2.0559 .
Co11 O30 2.1721 .
Co11 O13 2.2755 2_656
Co11 S11 2.4214(11) .
Co10 O9 1.9880 .
Co10 O18 1.9927 2_656
Co10 O10 2.0592 .
Co10 O27 2.1418 .
Co10 O16 2.3067 .
Co10 S10 2.5205(10) .
Co10 Na1 3.2832 .
Co8 O7 1.9753 .
Co8 O31 1.9930 .
Co8 O8 2.0345 .
Co8 O26 2.1167 .
Co8 O19 2.1273 .
Co8 S8 2.5146(11) .
Co8 Na1 3.1252 .
Co5 O8 1.9537 .
Co5 O5 2.0016 .
Co5 O17 2.0169 .
Co5 O19 2.1552 .
Co5 S5 2.5941(11) .
Co6 O5 2.0485 .
Co6 O39 2.0913 .
Co6 N2 2.0982 .
Co6 O20 2.1427 .
Co6 O6 2.2002 .
Co6 S6 2.4624(11) .
S8 C66 1.7772(11) .
S8 C72 1.7863(11) .
S4 C32 1.7692(11) .
S4 C12 1.7804(11) .
P3 O29 1.5246(10) .
P3 O28 1.5365 .
P3 O27 1.5441 .
P3 O26 1.5607 .
P3 Co2 2.8232(11) 2_656
P3 Na1 3.1144 .
S12 C106 1.777(4) .
S12 C112 1.7836(11) .
S3 C36 1.7771(11) .
S3 C26 1.783(4) .
S11 C102 1.7735(12) .
S11 C96 1.7751(11) .
S10 C82 1.7803(12) .
S10 C92 1.7817(11) .
S1 C16 1.776(4) .
S1 C2 1.787(4) .
S7 C62 1.7831(11) .
S7 C56 1.7839(11) .
S2 C6 1.7831(11) .
S2 C22 1.791(4) .
S9 C116 1.783(4) .
S9 C86 1.7943(11) .
S6 C42 1.7735(12) .
S6 C52 1.782(4) .
P2 O19 1.5350 .
P2 O20 1.5367 .
P2 O21 1.5367 .
P2 O22 1.5461(10) .
P2 Na1 3.1669(10) .
S5 C46 1.7815(12) .
S5 C76 1.794(4) .
P1 O18 1.5078(10) .
P1 O14 1.5353 .
P1 O15 1.5380 .
P1 O17 1.5668(10) .
P1 Na1 3.4396 2_656
Na1 O31 2.3008 .
Na1 O15 2.3699 .
Na1 O27 2.4329 .
Na1 O16 2.4450 .
Na1 O19 2.6262 .
Na1 O26 2.6641 .
Na1 O15 2.6666 2_656
Na1 O21 2.6820 .
Na1 Na1 3.0592 2_656
O3 C21 1.319(4) .
O23 C128 1.2864 .
O18 Co10 1.9927 2_656
O9 C81 1.3100 .
O16 C172 1.2660 .
O26 Co2 2.1406 2_656
O7 C61 1.333(4) .
O10 C91 1.3259 .
O15 Na1 2.6666 2_656
O175 C130 1.2441 .
O5 C41 1.339(4) .
O28 Co2 2.3369 2_656
O31 C172 1.2356 2_656
O4 C31 1.3419 .
O12 C111 1.3273 .
O2 C11 1.3241 .
O11 C101 1.331(4) .
O30 C129 1.2333 .
O13 C129 1.2809 2_656
O13 Co11 2.2755 2_656
O8 C71 1.317(4) .
O1 C1 1.3100 .
O6 C51 1.331(4) .
O40 C123 1.2921 .
O39 C123 1.2644 .
N1 C122 1.466(4) .
N1 C121 1.475(5) .
C1 C2 1.405(4) .
C1 C6 1.4062 .
C11 C16 1.414(4) .
C11 C12 1.4145 .
C12 C13 1.395(4) .
C66 C65 1.4073 .
C66 C61 1.411(4) .
C172 O31 1.2356 2_656
C172 H172 0.9500 .
C65 C64 1.391(4) .
C65 H65 0.9500 .
C41 C46 1.397(4) .
C41 C42 1.419(4) .
C26 C25 1.390(4) .
C26 C21 1.406(5) .
C73 C72 1.392(4) .
C73 C74 1.415(4) .
C73 H73 0.9500 .
C61 C62 1.389(4) .
C32 C31 1.3834 .
C32 C33 1.396(4) .
C35 C34 1.387(5) .
C35 C36 1.3877 .
C35 H35 0.9500 .
N6 C143 1.309(8) .
N6 C144 1.439(4) .
N6 C145 1.480(8) .
C22 C23 1.404(4) .
C22 C21 1.411(6) .
C13 C14 1.386(4) .
C13 H13 0.9500 .
C91 C96 1.4072 .
C91 C92 1.4254 .
N3 C130 1.2973 .
N3 C131 1.458(6) .
N3 C132 1.4757 .
C6 C5 1.3884 .
C96 C94 1.4026 .
C81 C86 1.3997 .
C81 C82 1.4131 .
C111 C112 1.4096 .
C111 C116 1.411(4) .
C74 C75 1.383(5) .
C74 C77 1.536(4) .
C85 C84 1.389(4) .
C85 C86 1.3978 .
C85 H85 0.9500 .
C31 C36 1.4214 .
C15 C16 1.383(4) .
C15 C14 1.3935 .
C15 H15 0.9500 .
C101 C106 1.401(6) .
C101 C102 1.420(4) .
C83 C82 1.391(4) .
C83 C84 1.397(6) .
C83 H83 0.9500 .
C62 C63 1.401(4) .
C23 C24 1.388(4) .
C23 H23 0.9500 .
C51 C52 1.412(6) .
C51 C56 1.417(4) .
C71 C76 1.397(5) .
C71 C72 1.401(4) .
C112 C113 1.3698 .
C105 C106 1.392(4) .
C105 C104 1.4017 .
C105 H105 0.9500 .
C63 C64 1.380(6) .
C63 H63 0.9500 .
C2 C3 1.387(4) .
C84 C87 1.539(4) .
C4 C3 1.3914 .
C4 C5 1.4015 .
C4 C7 1.5353 .
C92 C93 1.387(4) .
C46 C45 1.415(4) .
C129 O13 1.2809(12) 2_656
C129 H129 0.9500 .
C42 C43 1.4008 .
C56 C55 1.376(4) .
C3 H3 0.9500 .
C93 C95 1.384(6) .
C93 H93 0.9500 .
C5 H5 0.9500 .
C55 C54 1.403(4) .
C55 H55 0.9500 .
C33 C34 1.393(6) .
C33 H33 0.9500 .
C122 H12A 0.9800 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C64 C67 1.555(4) .
C14 C17 1.546(4) .
N2 C127 1.389(3) .
N2 C126 1.418(6) .
C102 C103 1.399(4) .
C25 C24 1.396(4) .
C25 H25 0.9500 .
C103 C104 1.385(5) .
C103 H103 0.9500 .
C94 C95 1.393(5) .
C94 H94 0.9500 .
C34 C37 1.537(6) .
C75 C76 1.384(6) .
C75 H75 0.9500 .
C20 C17 1.531(6) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C116 C115 1.380(6) .
C104 C107 1.5369 .
C123 N8 1.361(5) .
C54 C53 1.389(4) .
C54 C57 1.5170 .
C130 H130 0.9500 .
C45 C44 1.398(5) .
C45 H45 0.9500 .
C113 C114 1.396(5) .
C113 H113 0.9500 .
C53 C52 1.402(6) .
C53 H53 0.9500 .
C95 C97 1.541(6) .
C27 C28 1.527(6) .
C27 C30 1.5294 .
C27 C29 1.531(5) .
C27 C24 1.534(4) .
C43 C44 1.3862 .
C43 H43 0.9500 .
C17 C18 1.529(7) .
C17 C19 1.531(5) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C7 C8 1.508(7) .
C7 C10 1.545(6) .
C7 C9 1.5527 .
C128 O24B 1.01(2) .
C128 O24A 1.204(5) .
C44 C47 1.5200 .
C144 H14A 0.9800 .
C144 H14B 0.9800 .
C144 H14C 0.9800 .
C77 C80 1.498(6) .
C77 C78 1.509(8) .
C77 C79 1.568(9) .
C67 C69 1.507(5) .
C67 C70 1.525(4) .
C67 C68 1.533(6) .
C57 C59 1.521(6) .
C57 C60 1.5343 .
C57 C58 1.538(5) .
C107 C110 1.530(6) .
C107 C108 1.5361 .
C107 C109 1.555(6) .
C87 C89 1.5198 .
C87 C90 1.524(7) .
C87 C88 1.524(6) .
N4 C135 1.341(15) .
N4 C137 1.466(6) .
N4 C136 1.486(13) .
C132 H13A 0.9800 .
C132 H13B 0.9800 .
C132 H13C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C115 C114 1.392(7) .
C115 H115 0.9500 .
C114 C117 1.537(7) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C109 H10A 0.9800 .
C109 H10B 0.9800 .
C109 H10C 0.9800 .
N8 C124 1.471(10) .
N8 C125 1.488(9) .
C37 C39 1.522(8) .
C37 C38 1.521(8) .
C37 C40 1.525(10) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C47 C49 1.489(7) .
C47 C48 1.542(4) .
C47 C50 1.563(7) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C110 H11A 0.9800 .
C110 H11B 0.9800 .
C110 H11C 0.9800 .
C126 H12D 0.9800 .
C126 H12E 0.9800 .
C126 H12F 0.9800 .
C89 H89A 0.9800 .
C89 H89B 0.9800 .
C89 H89C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C121 H12G 0.9800 .
C121 H12H 0.9800 .
C121 H12I 0.9800 .
C10 H10D 0.9800 .
C10 H10E 0.9800 .
C10 H10F 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C137 H13D 0.9800 .
C137 H13E 0.9800 .
C137 H13F 0.9800 .
C97 C100 1.480(10) .
C97 C99 1.486(9) .
C97 C98 1.488(9) .
O24A O24B 1.65(2) .
C143 O38 1.218(8) .
C143 H143 0.9500 .
C108 H10G 0.9800 .
C108 H10H 0.9800 .
C108 H10I 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
N7 C147 1.405(12) .
N7 C148 1.421(11) .
N7 C146 1.439(14) .
O33 C134 1.3515 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C117 C118 1.486(10) .
C117 C120 1.526(11) .
C117 C119 1.610(9) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C131 H13G 0.9800 .
C131 H13H 0.9800 .
C131 H13I 0.9800 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C120 H12J 0.9800 .
C120 H12K 0.9800 .
C120 H12L 0.9800 .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C125 H12M 0.9800 .
C125 H12N 0.9800 .
C125 H12O 0.9800 .
C119 H11D 0.9800 .
C119 H11E 0.9800 .
C119 H11F 0.9800 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
O41 C146 1.069(15) .
C134 H13J 0.9800 .
C134 H13K 0.9800 .
C134 H13L 0.9800 .
C148 H14G 0.9800 .
C148 H14H 0.9800 .
C148 H14I 0.9800 .
C118 H11G 0.9800 .
C118 H11H 0.9800 .
C118 H11I 0.9800 .
C100 H10J 0.9800 .
C100 H10K 0.9800 .
C100 H10L 0.9800 .
C147 H14J 0.9800 .
C147 H14K 0.9800 .
C147 H14L 0.9800 .
C135 O34 1.464(18) .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C146 H146 0.9500 .
N5 C142 1.302(6) .
N5 C141 1.490(6) .
N5 C140 1.493(6) .
N5 C14' 1.561(18) .
O37 C140 1.4820 .
C141 C14' 1.565(19) .
C142 C14' 1.768(18) .
C127 H12S 0.9800 .
C127 H12T 0.9800 .
C127 H12U 0.9800 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.500 0.000 1380.3 171.0
