#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/60/2216030.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2216030
loop_
_publ_author_name
'Lancaster, Richard'
'Pritchard, Robin G.'
_publ_section_title
;
 Dichloridobis(triphenylphosphine oxide)cobalt(II) methanol
 0.125-solvate, a lamellar structure
;
_journal_coeditor_code           KJ2068
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2783
_journal_page_last               m2784
_journal_paper_doi               10.1107/S1600536807050726
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co Cl2 (C18 H15 O1 P1)2], 0.125C H4 O'
_chemical_formula_moiety         'C36 H30 Cl2 Co O2 P2, 0.125(C H4 O)'
_chemical_formula_sum            'C36.125 H30.5 Cl2 Co O2.125 P2'
_chemical_formula_weight         690.13
_chemical_name_systematic
;
Dichloridobis(triphenylphosphine oxide)cobalt(II) methanol solvate
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 120.3680(10)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   21.3691(3)
_cell_length_b                   37.1989(8)
_cell_length_c                   19.4382(5)
_cell_measurement_reflns_used    12813
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      1.018
_cell_volume                     13331.5(5)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction
'SCALEPACK  and DENZO (Otwinowski & Minor 1997)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2003)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker--Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13073
_diffrn_reflns_theta_full        26
_diffrn_reflns_theta_max         26
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.803
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.8432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5683
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.478
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.40(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1559
_refine_ls_number_reflns         13073
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.021
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0321P)²+57.6187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1328
_reflns_number_gt                9468
_reflns_number_total             13073
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            kj2068.cif
_cod_data_source_block           I
_cod_original_cell_volume        13331.4(5)
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C36.125 H30.50 Cl2 Co O2.125 P2'
_cod_database_code               2216030
_cod_database_fobs_code          2216030
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Co Co1 0.23624(7) 0.03411(3) 0.23354(7) 0.0316(3) Uani d . 1
Cl Cl1 0.17186(13) -0.01712(6) 0.20175(15) 0.0449(6) Uani d . 1
Cl Cl2 0.25306(14) 0.06209(7) 0.14094(15) 0.0504(6) Uani d . 1
P P1 0.19873(12) 0.09329(6) 0.33721(14) 0.0340(5) Uani d . 1
P P2 0.39944(12) 0.00193(6) 0.37640(14) 0.0340(5) Uani d . 1
O O1 0.1945(3) 0.07046(15) 0.2710(4) 0.0415(15) Uani d . 1
O O2 0.3328(3) 0.02443(15) 0.3268(3) 0.0383(14) Uani d . 1
C C1 0.1204(4) 0.1213(2) 0.2980(5) 0.0321(18) Uani d . 1
C C2 0.0529(5) 0.1060(2) 0.2457(5) 0.037(2) Uani d . 1
H H2 0.0504 0.0814 0.2314 0.045 Uiso calc R 1
C C3 -0.0104(5) 0.1260(3) 0.2144(6) 0.045(2) Uani d . 1
H H3 -0.056 0.1151 0.1802 0.054 Uiso calc R 1
C C4 -0.0064(5) 0.1618(3) 0.2334(6) 0.045(2) Uani d . 1
H H4 -0.0495 0.1758 0.21 0.054 Uiso calc R 1
C C5 0.0590(5) 0.1778(2) 0.2860(6) 0.045(2) Uani d . 1
H H5 0.0605 0.2024 0.2998 0.053 Uiso calc R 1
C C6 0.1225(5) 0.1579(2) 0.3184(6) 0.043(2) Uani d . 1
H H6 0.1675 0.1688 0.3545 0.052 Uiso calc R 1
C C7 0.2000(5) 0.0668(2) 0.4141(5) 0.036(2) Uani d . 1
C C8 0.2302(5) 0.0319(2) 0.4279(6) 0.041(2) Uani d . 1
H H8 0.2495 0.023 0.3966 0.049 Uiso calc R 1
C C9 0.2314(6) 0.0107(3) 0.4870(6) 0.053(3) Uani d . 1
H H9 0.2526 -0.0125 0.4971 0.064 Uiso calc R 1
C C10 0.2013(5) 0.0236(3) 0.5326(6) 0.047(2) Uani d . 1
H H10 0.2 0.0089 0.5717 0.057 Uiso calc R 1
C C11 0.1742(5) 0.0579(3) 0.5192(6) 0.046(2) Uani d . 1
H H11 0.1561 0.067 0.5515 0.056 Uiso calc R 1
C C12 0.1720(5) 0.0794(2) 0.4618(5) 0.037(2) Uani d . 1
H H12 0.1518 0.1028 0.4537 0.044 Uiso calc R 1
C C13 0.2771(5) 0.1214(2) 0.3823(6) 0.043(2) Uani d . 1
C C14 0.2986(6) 0.1380(3) 0.3327(8) 0.071(4) Uani d . 1
H H14 0.2741 0.1324 0.2774 0.085 Uiso calc R 1
C C15 0.3552(7) 0.1624(4) 0.3639(12) 0.091(5) Uani d . 1
H H15 0.3694 0.174 0.3303 0.109 Uiso calc R 1
C C16 0.3907(7) 0.1696(3) 0.4444(14) 0.102(6) Uani d . 1
H H16 0.4289 0.1868 0.4659 0.122 Uiso calc R 1
C C17 0.3721(7) 0.1524(4) 0.4950(10) 0.092(5) Uani d . 1
H H17 0.398 0.157 0.5507 0.11 Uiso calc R 1
C C18 0.3154(6) 0.1286(3) 0.4627(7) 0.062(3) Uani d . 1
H H18 0.3022 0.1167 0.4968 0.074 Uiso calc R 1
C C19 0.3871(5) -0.0281(2) 0.4407(6) 0.038(2) Uani d . 1
C C20 0.4251(5) -0.0235(3) 0.5235(6) 0.047(2) Uani d . 1
H H20 0.4612 -0.0054 0.5473 0.057 Uiso calc R 1
C C21 0.4098(6) -0.0458(3) 0.5707(6) 0.052(3) Uani d . 1
H H21 0.4359 -0.0429 0.627 0.063 Uiso calc R 1
C C22 0.3572(5) -0.0717(3) 0.5366(6) 0.047(2) Uani d . 1
H H22 0.3464 -0.0864 0.5693 0.057 Uiso calc R 1
C C23 0.3197(5) -0.0765(2) 0.4549(7) 0.051(3) Uani d . 1
H H23 0.2837 -0.0947 0.4316 0.061 Uiso calc R 1
C C24 0.3347(5) -0.0547(2) 0.4065(6) 0.042(2) Uani d . 1
H H24 0.3091 -0.0581 0.3503 0.051 Uiso calc R 1
C C25 0.4728(4) 0.0318(2) 0.4387(5) 0.035(2) Uani d . 1
C C26 0.4551(5) 0.0652(2) 0.4549(6) 0.048(2) Uani d . 1
H H26 0.4056 0.0721 0.4308 0.057 Uiso calc R 1
C C27 0.5091(6) 0.0890(3) 0.5063(7) 0.055(3) Uani d . 1
H H27 0.497 0.1118 0.5182 0.066 Uiso calc R 1
C C28 0.5816(5) 0.0783(3) 0.5400(6) 0.052(3) Uani d . 1
H H28 0.6194 0.0944 0.5737 0.062 Uiso calc R 1
C C29 0.5983(5) 0.0451(3) 0.5246(6) 0.053(3) Uani d . 1
H H29 0.6478 0.0382 0.5487 0.064 Uiso calc R 1
C C30 0.5458(5) 0.0215(2) 0.4755(6) 0.043(2) Uani d . 1
H H31 0.5586 -0.0017 0.4664 0.052 Uiso calc R 1
C C31 0.4219(5) -0.0249(2) 0.3148(6) 0.041(2) Uani d . 1
C C32 0.3928(5) -0.0152(2) 0.2352(6) 0.044(2) Uani d . 1
H H32 0.3622 0.0052 0.2136 0.053 Uiso calc R 1
C C33 0.4101(6) -0.0365(3) 0.1888(6) 0.050(3) Uani d . 1
H H33 0.3899 -0.0304 0.1341 0.06 Uiso calc R 1
C C34 0.4545(6) -0.0655(3) 0.2173(7) 0.056(3) Uani d . 1
H H34 0.4646 -0.0794 0.183 0.067 Uiso calc R 1
C C35 0.4845(6) -0.0746(2) 0.2964(6) 0.048(2) Uani d . 1
H H35 0.5166 -0.0946 0.3173 0.058 Uiso calc R 1
C C36 0.4682(5) -0.0549(2) 0.3454(7) 0.048(2) Uani d . 1
H H36 0.4882 -0.0615 0.3997 0.057 Uiso calc R 1
Co Co2 0.01776(7) 0.30892(3) 0.23069(7) 0.0365(3) Uani d . 1
Cl Cl3 0.06155(13) 0.35607(8) 0.19555(17) 0.0569(7) Uani d . 1
Cl Cl4 -0.04817(15) 0.26942(8) 0.13493(17) 0.0672(8) Uani d . 1
P P3 0.17372(12) 0.27415(6) 0.37669(14) 0.0351(5) Uani d . 1
P P4 -0.07134(12) 0.32353(6) 0.32534(14) 0.0345(5) Uani d . 1
O O3 0.0947(3) 0.28277(16) 0.3247(4) 0.0406(14) Uani d . 1
O O4 -0.0449(3) 0.32921(16) 0.2674(4) 0.0430(15) Uani d . 1
C C37 0.1849(4) 0.2401(2) 0.4476(5) 0.0331(19) Uani d . 1
C C38 0.1271(5) 0.2343(2) 0.4603(6) 0.048(2) Uani d . 1
H H38 0.0823 0.2464 0.4285 0.057 Uiso calc R 1
C C39 0.1356(5) 0.2102(2) 0.5207(6) 0.045(2) Uani d . 1
H H39 0.0969 0.2065 0.5306 0.054 Uiso calc R 1
C C40 0.2018(6) 0.1919(2) 0.5662(6) 0.049(2) Uani d . 1
H H40 0.2077 0.1755 0.6065 0.059 Uiso calc R 1
C C41 0.2579(5) 0.1979(3) 0.5521(6) 0.046(2) Uani d . 1
H H41 0.3027 0.1856 0.583 0.055 Uiso calc R 1
C C42 0.2496(5) 0.2215(2) 0.4934(6) 0.046(2) Uani d . 1
H H42 0.2887 0.2251 0.484 0.055 Uiso calc R 1
C C43 0.2250(5) 0.3121(2) 0.4345(6) 0.038(2) Uani d . 1
C C44 0.2598(5) 0.3127(2) 0.5178(6) 0.042(2) Uani d . 1
H H44 0.2603 0.2918 0.5459 0.05 Uiso calc R 1
C C45 0.2929(5) 0.3431(3) 0.5586(7) 0.053(3) Uani d . 1
H H45 0.3159 0.3431 0.6151 0.063 Uiso calc R 1
C C46 0.2939(5) 0.3742(3) 0.5196(7) 0.050(3) Uani d . 1
H H46 0.3156 0.3955 0.5489 0.06 Uiso calc R 1
C C47 0.2625(6) 0.3738(2) 0.4366(7) 0.052(3) Uani d . 1
H H47 0.2645 0.3945 0.4091 0.063 Uiso calc R 1
C C48 0.2278(5) 0.3421(2) 0.3944(6) 0.043(2) Uani d . 1
H H48 0.2061 0.3415 0.3381 0.052 Uiso calc R 1
C C49 0.2130(5) 0.2594(2) 0.3191(5) 0.035(2) Uani d . 1
C C50 0.1683(6) 0.2418(3) 0.2482(6) 0.051(3) Uani d . 1
H H50 0.1184 0.2386 0.2308 0.061 Uiso calc R 1
C C51 0.1966(6) 0.2289(3) 0.2020(6) 0.058(3) Uani d . 1
H H51 0.1664 0.2161 0.1541 0.069 Uiso calc R 1
C C52 0.2690(6) 0.2347(3) 0.2264(7) 0.055(3) Uani d . 1
H H52 0.2881 0.2262 0.1947 0.066 Uiso calc R 1
C C53 0.3138(6) 0.2529(3) 0.2971(7) 0.052(3) Uani d . 1
H H53 0.3633 0.2569 0.3133 0.063 Uiso calc R 1
C C54 0.2863(5) 0.2651(2) 0.3438(6) 0.047(2) Uani d . 1
H H55 0.317 0.2773 0.3925 0.057 Uiso calc R 1
C C55 -0.0763(5) 0.2771(2) 0.3463(6) 0.042(2) Uani d . 1
C C56 -0.1099(6) 0.2535(3) 0.2799(8) 0.067(3) Uani d . 1
H H56 -0.1265 0.2622 0.2275 0.08 Uiso calc R 1
C C57 -0.1180(8) 0.2177(3) 0.2927(11) 0.088(5) Uani d . 1
H H57 -0.1397 0.2017 0.2486 0.106 Uiso calc R 1
C C58 -0.0958(8) 0.2051(3) 0.3663(13) 0.093(6) Uani d . 1
H H58 -0.103 0.1804 0.3735 0.112 Uiso calc R 1
C C59 -0.0631(7) 0.2274(4) 0.4309(10) 0.079(4) Uani d . 1
H H59 -0.0474 0.2181 0.4827 0.095 Uiso calc R 1
C C60 -0.0523(6) 0.2640(3) 0.4216(8) 0.063(3) Uani d . 1
H H60 -0.0289 0.2794 0.4667 0.076 Uiso calc R 1
C C61 -0.1606(5) 0.3421(2) 0.2862(5) 0.039(2) Uani d . 1
C C62 -0.2135(5) 0.3264(3) 0.2978(6) 0.052(3) Uani d . 1
H H62 -0.2043 0.3041 0.3251 0.062 Uiso calc R 1
C C63 -0.2791(6) 0.3432(4) 0.2699(7) 0.072(4) Uani d . 1
H H63 -0.3145 0.3326 0.2794 0.086 Uiso calc R 1
C C64 -0.2942(7) 0.3742(4) 0.2291(7) 0.072(4) Uani d . 1
H H64 -0.3402 0.3853 0.2098 0.086 Uiso calc R 1
C C65 -0.2426(7) 0.3904(3) 0.2151(7) 0.067(3) Uani d . 1
H H65 -0.2527 0.4125 0.1871 0.08 Uiso calc R 1
C C66 -0.1771(6) 0.3736(3) 0.2424(6) 0.050(2) Uani d . 1
H H66 -0.1425 0.3838 0.2311 0.06 Uiso calc R 1
C C67 -0.0137(5) 0.3467(2) 0.4187(6) 0.040(2) Uani d . 1
C C68 -0.0408(5) 0.3602(3) 0.4641(6) 0.045(2) Uani d . 1
H H68 -0.0907 0.3571 0.4469 0.054 Uiso calc R 1
C C69 0.0034(6) 0.3782(3) 0.5342(7) 0.058(3) Uani d . 1
H H69 -0.0154 0.3873 0.5658 0.069 Uiso calc R 1
C C70 0.0753(6) 0.3828(3) 0.5573(7) 0.066(3) Uani d . 1
H H70 0.1062 0.3956 0.605 0.079 Uiso calc R 1
C C71 0.1034(6) 0.3690(3) 0.5124(8) 0.069(3) Uani d . 1
H H71 0.1534 0.3719 0.5297 0.083 Uiso calc R 1
C C72 0.0586(5) 0.3512(3) 0.4426(7) 0.056(3) Uani d . 1
H H72 0.0772 0.3421 0.411 0.067 Uiso calc R 1
Co Co3 0.76086(7) 0.06559(3) 0.23091(7) 0.0396(3) Uani d . 1
Cl Cl5 0.82120(15) 0.11451(7) 0.2284(2) 0.0675(9) Uani d . 1
Cl Cl6 0.69939(19) 0.03291(11) 0.1209(2) 0.1013(14) Uani d . 1
P P5 0.91512(12) 0.02897(6) 0.36261(14) 0.0328(5) Uani d . 1
P P6 0.67019(12) 0.07520(6) 0.32416(14) 0.0355(5) Uani d . 1
O O5 0.8341(3) 0.03541(15) 0.3196(4) 0.0379(14) Uani d . 1
O O6 0.6915(3) 0.08228(16) 0.2624(4) 0.0420(15) Uani d . 1
C C73 0.9351(5) -0.0082(2) 0.4286(5) 0.038(2) Uani d . 1
C C74 0.8812(6) -0.0227(3) 0.4394(6) 0.052(3) Uani d . 1
H H74 0.8335 -0.0132 0.4095 0.062 Uiso calc R 1
C C75 0.8941(8) -0.0505(3) 0.4920(8) 0.074(4) Uani d . 1
H H75 0.8563 -0.0604 0.4985 0.089 Uiso calc R 1
C C76 0.9645(9) -0.0635(3) 0.5350(7) 0.075(4) Uani d . 1
H H76 0.9746 -0.0825 0.5719 0.09 Uiso calc R 1
C C77 1.0200(8) -0.0503(3) 0.5267(7) 0.072(4) Uani d . 1
H H77 1.0675 -0.0601 0.5567 0.086 Uiso calc R 1
C C78 1.0055(6) -0.0223(3) 0.4735(7) 0.056(3) Uani d . 1
H H78 1.0435 -0.0125 0.4675 0.067 Uiso calc R 1
C C79 0.9670(4) 0.0655(2) 0.4244(5) 0.0337(19) Uani d . 1
C C80 0.9860(5) 0.0675(2) 0.5044(5) 0.039(2) Uani d . 1
H H80 0.9744 0.0482 0.528 0.047 Uiso calc R 1
C C81 1.0210(6) 0.0969(3) 0.5488(6) 0.052(3) Uani d . 1
H H81 1.0332 0.0978 0.603 0.062 Uiso calc R 1
C C82 1.0392(5) 0.1256(2) 0.5168(6) 0.046(2) Uani d . 1
H H82 1.0649 0.1456 0.5491 0.055 Uiso calc R 1
C C83 1.0194(5) 0.1246(2) 0.4374(6) 0.040(2) Uani d . 1
H H83 1.0304 0.1444 0.4145 0.048 Uiso calc R 1
C C84 0.9836(5) 0.0949(2) 0.3908(5) 0.038(2) Uani d . 1
H H84 0.9703 0.0945 0.3362 0.046 Uiso calc R 1
C C85 0.9460(5) 0.0185(2) 0.2945(5) 0.0338(19) Uani d . 1
C C86 0.8947(5) 0.0094(3) 0.2162(6) 0.046(2) Uani d . 1
H H86 0.8445 0.0096 0.1991 0.055 Uiso calc R 1
C C87 0.9178(6) 0.0002(3) 0.1632(6) 0.055(3) Uani d . 1
H H87 0.883 -0.0063 0.1101 0.067 Uiso calc R 1
C C88 0.9902(6) 0.0004(3) 0.1865(6) 0.050(3) Uani d . 1
H H88 1.0053 -0.0054 0.1495 0.061 Uiso calc R 1
C C89 1.0407(6) 0.0091(2) 0.2641(6) 0.044(2) Uani d . 1
H H89 1.0909 0.0082 0.2812 0.053 Uiso calc R 1
C C90 1.0187(5) 0.0191(2) 0.3171(6) 0.040(2) Uani d . 1
H H90 1.0538 0.0265 0.3695 0.048 Uiso calc R 1
C C91 0.5798(4) 0.0913(2) 0.2897(5) 0.0346(19) Uani d . 1
C C92 0.5616(5) 0.1253(2) 0.2527(6) 0.049(2) Uani d . 1
H H92 0.596 0.1385 0.2455 0.059 Uiso calc R 1
C C93 0.4935(5) 0.1395(2) 0.2269(6) 0.045(2) Uani d . 1
H H93 0.4812 0.1624 0.2021 0.054 Uiso calc R 1
C C94 0.4431(5) 0.1204(3) 0.2370(6) 0.053(3) Uani d . 1
H H94 0.3963 0.1303 0.2191 0.064 Uiso calc R 1
C C95 0.4602(5) 0.0876(3) 0.2725(7) 0.057(3) Uani d . 1
H H95 0.4252 0.0747 0.2791 0.069 Uiso calc R 1
C C96 0.5290(5) 0.0725(3) 0.2996(6) 0.046(2) Uani d . 1
H H96 0.5406 0.0496 0.3247 0.056 Uiso calc R 1
C C97 0.7287(5) 0.0986(3) 0.4149(6) 0.043(2) Uani d . 1
C C98 0.7045(6) 0.1095(3) 0.4662(6) 0.059(3) Uani d . 1
H H98 0.6567 0.1037 0.4542 0.071 Uiso calc R 1
C C99 0.7508(6) 0.1289(3) 0.5354(7) 0.068(3) Uani d . 1
H H99 0.7339 0.1365 0.5698 0.081 Uiso calc R 1
C C100 0.8202(6) 0.1371(3) 0.5540(7) 0.066(3) Uani d . 1
H H100 0.8518 0.1497 0.6018 0.079 Uiso calc R 1
C C101 0.8438(6) 0.1268(3) 0.5018(8) 0.072(4) Uani d . 1
H H101 0.891 0.1332 0.5131 0.086 Uiso calc R 1
C C102 0.7993(5) 0.1073(3) 0.4343(6) 0.051(3) Uani d . 1
H H102 0.8169 0.0996 0.4005 0.061 Uiso calc R 1
C C103 0.6704(5) 0.0288(3) 0.3438(7) 0.054(3) Uani d . 1
C C104 0.6970(7) 0.0140(3) 0.4187(9) 0.073(4) Uani d . 1
H H104 0.7208 0.029 0.4644 0.088 Uiso calc R 1
C C105 0.6894(10) -0.0224(5) 0.4279(15) 0.123(8) Uani d . 1
H H105 0.707 -0.0318 0.4799 0.147 Uiso calc R 1
C C106 0.6571(11) -0.0450(4) 0.3638(17) 0.124(9) Uani d . 1
H H106 0.6524 -0.07 0.3707 0.149 Uiso calc R 1
C C107 0.6317(8) -0.0307(3) 0.2894(13) 0.103(6) Uani d . 1
H H107 0.6096 -0.0462 0.2444 0.123 Uiso calc R 1
C C108 0.6372(6) 0.0056(3) 0.2777(9) 0.069(4) Uani d . 1
H H208 0.6187 0.0147 0.2253 0.083 Uiso calc R 1
Co Co4 0.48535(7) 0.28576(3) 0.22196(7) 0.0389(3) Uani d . 1
Cl Cl7 0.42672(15) 0.23383(7) 0.20164(19) 0.0641(8) Uani d . 1
Cl Cl8 0.50554(17) 0.31232(9) 0.13040(18) 0.0708(9) Uani d . 1
P P7 0.44717(12) 0.35044(6) 0.31112(14) 0.0324(5) Uani d . 1
P P8 0.64544(12) 0.25569(6) 0.36922(14) 0.0354(5) Uani d . 1
O O7 0.4355(3) 0.32189(15) 0.2500(4) 0.0372(14) Uani d . 1
O O8 0.5810(3) 0.27918(15) 0.3206(4) 0.0392(14) Uani d . 1
C C109 0.5199(4) 0.3800(2) 0.3309(6) 0.037(2) Uani d . 1
C C110 0.5265(5) 0.3927(2) 0.2679(6) 0.044(2) Uani d . 1
H H110 0.4948 0.384 0.2156 0.053 Uiso calc R 1
C C111 0.5782(6) 0.4178(2) 0.2796(7) 0.052(3) Uani d . 1
H H111 0.5812 0.4266 0.2355 0.062 Uiso calc R 1
C C112 0.6262(5) 0.4304(2) 0.3560(6) 0.044(2) Uani d . 1
H H112 0.6622 0.4477 0.3645 0.053 Uiso calc R 1
C C113 0.6207(5) 0.4176(3) 0.4186(6) 0.051(2) Uani d . 1
H H113 0.6539 0.4259 0.4709 0.061 Uiso calc R 1
C C114 0.5688(5) 0.3932(2) 0.4082(6) 0.045(2) Uani d . 1
H H114 0.5656 0.385 0.4526 0.054 Uiso calc R 1
C C115 0.3671(5) 0.3770(2) 0.2760(5) 0.0341(19) Uani d . 1
C C116 0.3018(5) 0.3588(3) 0.2486(6) 0.051(3) Uani d . 1
H H116 0.3011 0.3333 0.2458 0.061 Uiso calc R 1
C C117 0.2384(5) 0.3771(3) 0.2256(6) 0.058(3) Uani d . 1
H H117 0.1941 0.3646 0.2084 0.069 Uiso calc R 1
C C118 0.2408(6) 0.4149(4) 0.2282(7) 0.068(3) Uani d . 1
H H118 0.1973 0.428 0.2115 0.081 Uiso calc R 1
C C119 0.3041(6) 0.4331(3) 0.2540(7) 0.071(4) Uani d . 1
H H119 0.3046 0.4586 0.2557 0.086 Uiso calc R 1
C C120 0.3672(5) 0.4142(3) 0.2777(6) 0.051(3) Uani d . 1
H H120 0.4113 0.4269 0.2955 0.061 Uiso calc R 1
C C121 0.4630(5) 0.3306(2) 0.4026(5) 0.037(2) Uani d . 1
C C122 0.4421(6) 0.3481(3) 0.4511(6) 0.051(3) Uani d . 1
H H122 0.4188 0.3709 0.4355 0.062 Uiso calc R 1
C C123 0.4548(6) 0.3328(3) 0.5211(6) 0.059(3) Uani d . 1
H H123 0.441 0.3452 0.5542 0.07 Uiso calc R 1
C C124 0.4875(6) 0.2994(3) 0.5439(6) 0.054(3) Uani d . 1
H H124 0.4957 0.2888 0.5923 0.065 Uiso calc R 1
C C125 0.5077(6) 0.2819(3) 0.4973(7) 0.055(3) Uani d . 1
H H125 0.5291 0.2588 0.5124 0.066 Uiso calc R 1
C C126 0.4972(5) 0.2978(3) 0.4272(6) 0.050(2) Uani d . 1
H H126 0.5137 0.2858 0.3961 0.06 Uiso calc R 1
C C127 0.7198(5) 0.2838(2) 0.4323(6) 0.041(2) Uani d . 1
C C128 0.7929(5) 0.2735(3) 0.4630(6) 0.049(2) Uani d . 1
H H128 0.8041 0.251 0.4485 0.059 Uiso calc R 1
C C129 0.8482(5) 0.2966(3) 0.5148(6) 0.056(3) Uani d . 1
H H129 0.8975 0.29 0.5358 0.067 Uiso calc R 1
C C130 0.8314(6) 0.3288(3) 0.5354(7) 0.061(3) Uani d . 1
H H130 0.8697 0.3441 0.5712 0.074 Uiso calc R 1
C C131 0.7620(6) 0.3398(3) 0.5066(7) 0.058(3) Uani d . 1
H H131 0.752 0.3624 0.5214 0.07 Uiso calc R 1
C C132 0.7050(6) 0.3170(2) 0.4546(6) 0.051(3) Uani d . 1
H H132 0.6562 0.3242 0.4344 0.061 Uiso calc R 1
C C133 0.6312(5) 0.2253(2) 0.4311(5) 0.036(2) Uani d . 1
C C134 0.6720(6) 0.2265(3) 0.5137(7) 0.057(3) Uani d . 1
H H134 0.7114 0.2429 0.539 0.069 Uiso calc R 1
C C135 0.6555(7) 0.2037(3) 0.5608(7) 0.059(3) Uani d . 1
H H135 0.6831 0.2048 0.6173 0.071 Uiso calc R 1
C C136 0.5987(6) 0.1799(3) 0.5228(7) 0.056(3) Uani d . 1
H H136 0.5869 0.1646 0.5537 0.067 Uiso calc R 1
C C137 0.5591(6) 0.1779(3) 0.4420(7) 0.052(3) Uani d . 1
H H137 0.5208 0.1609 0.4171 0.063 Uiso calc R 1
C C138 0.5747(5) 0.2006(3) 0.3955(6) 0.048(2) Uani d . 1
H H138 0.5465 0.1992 0.339 0.057 Uiso calc R 1
C C139 0.6676(5) 0.2291(2) 0.3075(6) 0.041(2) Uani d . 1
C C140 0.7062(5) 0.1967(2) 0.3335(6) 0.044(2) Uani d . 1
H H140 0.7214 0.1878 0.3855 0.053 Uiso calc R 1
C C141 0.7218(5) 0.1778(3) 0.2829(7) 0.051(3) Uani d . 1
H H141 0.7489 0.1562 0.3013 0.061 Uiso calc R 1
C C142 0.6994(6) 0.1893(3) 0.2076(7) 0.057(3) Uani d . 1
H H142 0.7092 0.1754 0.1731 0.068 Uiso calc R 1
C C143 0.6619(7) 0.2216(3) 0.1815(8) 0.071(3) Uani d . 1
H H143 0.6481 0.2306 0.13 0.085 Uiso calc R 1
C C144 0.6445(5) 0.2409(3) 0.2310(6) 0.052(3) Uani d . 1
H H144 0.6165 0.2623 0.212 0.062 Uiso calc R 1
O O9 0.2083(19) 0.1418(9) 0.141(2) 0.182(13) Uiso d P 0.5
H H9B 0.2214 0.1258 0.1203 0.273 Uiso d PR 0.5
C C145 0.1384(16) 0.1371(8) 0.1174(18) 0.092(9) Uiso d P 0.5
H H145 0.1321 0.1375 0.164 0.137 Uiso calc PR 0.5
H H146 0.1219 0.114 0.09 0.137 Uiso calc PR 0.5
H H147 0.1099 0.1566 0.0809 0.137 Uiso calc PR 0.5
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.148 0.159 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.349 0.972 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.102 0.094 '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_publ_flag
O1 Co1 O2 104.3(3) n
O1 Co1 Cl1 111.0(2) ?
O2 Co1 Cl1 107.96(19) ?
O1 Co1 Cl2 105.35(19) ?
O2 Co1 Cl2 107.60(19) ?
Cl1 Co1 Cl2 119.57(11) n
O1 P1 C7 112.0(4) ?
O1 P1 C1 109.1(4) ?
C7 P1 C1 107.1(4) ?
O1 P1 C13 112.6(4) ?
C7 P1 C13 107.5(4) ?
C1 P1 C13 108.3(4) ?
O2 P2 C19 111.6(4) ?
O2 P2 C31 111.5(4) ?
C19 P2 C31 107.5(4) ?
O2 P2 C25 107.9(4) ?
C19 P2 C25 107.5(4) ?
C31 P2 C25 110.8(4) ?
P1 O1 Co1 150.3(4) n
P2 O2 Co1 154.3(4) n
C2 C1 C6 118.2(8) ?
C2 C1 P1 118.1(6) ?
C6 C1 P1 123.6(7) ?
C3 C2 C1 121.2(8) ?
C3 C2 H2 119.4 ?
C1 C2 H2 119.4 ?
C4 C3 C2 119.3(9) ?
C4 C3 H3 120.3 ?
C2 C3 H3 120.3 ?
C3 C4 C5 121.2(9) ?
C3 C4 H4 119.4 ?
C5 C4 H4 119.4 ?
C4 C5 C6 119.9(8) ?
C4 C5 H5 120.1 ?
C6 C5 H5 120.1 ?
C5 C6 C1 120.2(9) ?
C5 C6 H6 119.9 ?
C1 C6 H6 119.9 ?
C12 C7 C8 118.9(8) ?
C12 C7 P1 122.4(7) ?
C8 C7 P1 118.6(6) ?
C9 C8 C7 119.7(9) ?
C9 C8 H8 120.1 ?
C7 C8 H8 120.1 ?
C8 C9 C10 120.2(9) ?
C8 C9 H9 119.9 ?
C10 C9 H9 119.9 ?
C11 C10 C9 118.6(9) ?
C11 C10 H10 120.7 ?
C9 C10 H10 120.7 ?
C12 C11 C10 122.7(9) ?
C12 C11 H11 118.6 ?
C10 C11 H11 118.6 ?
C11 C12 C7 119.7(8) ?
C11 C12 H12 120.1 ?
C7 C12 H12 120.1 ?
C18 C13 C14 118.8(10) ?
C18 C13 P1 122.9(8) ?
C14 C13 P1 118.2(9) ?
C15 C14 C13 120.3(14) ?
C15 C14 H14 119.8 ?
C13 C14 H14 119.8 ?
C16 C15 C14 118.9(14) ?
C16 C15 H15 120.6 ?
C14 C15 H15 120.6 ?
C15 C16 C17 121.6(12) ?
C15 C16 H16 119.2 ?
C17 C16 H16 119.2 ?
C18 C17 C16 118.5(15) ?
C18 C17 H17 120.7 ?
C16 C17 H17 120.7 ?
C17 C18 C13 121.8(13) ?
C17 C18 H18 119.1 ?
C13 C18 H18 119.1 ?
C24 C19 C20 119.8(9) ?
C24 C19 P2 118.6(7) ?
C20 C19 P2 121.5(7) ?
C21 C20 C19 119.5(9) ?
C21 C20 H20 120.2 ?
C19 C20 H20 120.2 ?
C22 C21 C20 120.5(10) ?
C22 C21 H21 119.7 ?
C20 C21 H21 119.7 ?
C21 C22 C23 120.2(9) ?
C21 C22 H22 119.9 ?
C23 C22 H22 119.9 ?
C22 C23 C24 120.2(9) ?
C22 C23 H23 119.9 ?
C24 C23 H23 119.9 ?
C19 C24 C23 119.7(10) ?
C19 C24 H24 120.1 ?
C23 C24 H24 120.1 ?
C26 C25 C30 119.4(8) ?
C26 C25 P2 117.6(7) ?
C30 C25 P2 122.8(7) ?
C25 C26 C27 120.7(9) ?
C25 C26 H26 119.6 ?
C27 C26 H26 119.6 ?
C26 C27 C28 118.4(9) ?
C26 C27 H27 120.8 ?
C28 C27 H27 120.8 ?
C29 C28 C27 120.4(9) ?
C29 C28 H28 119.8 ?
C27 C28 H28 119.8 ?
C28 C29 C30 121.6(9) ?
C28 C29 H29 119.2 ?
C30 C29 H29 119.2 ?
C29 C30 C25 119.5(9) ?
C29 C30 H31 120.3 ?
C25 C30 H31 120.3 ?
C32 C31 C36 119.9(9) ?
C32 C31 P2 118.4(7) ?
C36 C31 P2 121.7(8) ?
C33 C32 C31 117.3(9) ?
C33 C32 H32 121.3 ?
C31 C32 H32 121.3 ?
C34 C33 C32 123.4(10) ?
C34 C33 H33 118.3 ?
C32 C33 H33 118.3 ?
C33 C34 C35 119.2(9) ?
C33 C34 H34 120.4 ?
C35 C34 H34 120.4 ?
C34 C35 C36 120.1(9) ?
C34 C35 H35 119.9 ?
C36 C35 H35 119.9 ?
C35 C36 C31 120.0(10) ?
C35 C36 H36 120 ?
C31 C36 H36 120 ?
O4 Co2 O3 104.7(3) n
O4 Co2 Cl4 107.4(2) ?
O3 Co2 Cl4 109.0(2) ?
O4 Co2 Cl3 106.02(19) ?
O3 Co2 Cl3 112.52(19) ?
Cl4 Co2 Cl3 116.42(13) n
O3 P3 C49 111.6(4) ?
O3 P3 C43 112.2(4) ?
C49 P3 C43 107.5(4) ?
O3 P3 C37 109.5(4) ?
C49 P3 C37 110.0(4) ?
C43 P3 C37 105.8(4) ?
O4 P4 C55 113.1(4) ?
O4 P4 C61 110.4(4) ?
C55 P4 C61 107.1(4) ?
O4 P4 C67 111.0(4) ?
C55 P4 C67 108.6(5) ?
C61 P4 C67 106.3(4) ?
P3 O3 Co2 148.2(4) n
P4 O4 Co2 143.2(4) n
C38 C37 C42 119.5(8) ?
C38 C37 P3 117.4(7) ?
C42 C37 P3 122.9(7) ?
C37 C38 C39 119.5(9) ?
C37 C38 H38 120.2 ?
C39 C38 H38 120.2 ?
C40 C39 C38 119.7(9) ?
C40 C39 H39 120.2 ?
C38 C39 H39 120.2 ?
C41 C40 C39 119.8(9) ?
C41 C40 H40 120.1 ?
C39 C40 H40 120.1 ?
C40 C41 C42 120.4(9) ?
C40 C41 H41 119.8 ?
C42 C41 H41 119.8 ?
C41 C42 C37 121.1(8) ?
C41 C42 H42 119.5 ?
C37 C42 H42 119.5 ?
C48 C43 C44 119.4(8) ?
C48 C43 P3 118.1(7) ?
C44 C43 P3 122.5(7) ?
C45 C44 C43 120.4(9) ?
C45 C44 H44 119.8 ?
C43 C44 H44 119.8 ?
C44 C45 C46 121.4(10) ?
C44 C45 H45 119.3 ?
C46 C45 H45 119.3 ?
C45 C46 C47 119.3(9) ?
C45 C46 H46 120.3 ?
C47 C46 H46 120.3 ?
C46 C47 C48 118.9(9) ?
C46 C47 H47 120.5 ?
C48 C47 H47 120.5 ?
C43 C48 C47 120.5(9) ?
C43 C48 H48 119.8 ?
C47 C48 H48 119.8 ?
C50 C49 C54 120.1(9) ?
C50 C49 P3 117.6(7) ?
C54 C49 P3 122.3(7) ?
C49 C50 C51 120.0(9) ?
C49 C50 H50 120 ?
C51 C50 H50 120 ?
C52 C51 C50 119.7(10) ?
C52 C51 H51 120.2 ?
C50 C51 H51 120.2 ?
C51 C52 C53 120.5(10) ?
C51 C52 H52 119.8 ?
C53 C52 H52 119.8 ?
C54 C53 C52 120.0(9) ?
C54 C53 H53 120 ?
C52 C53 H53 120 ?
C53 C54 C49 119.8(9) ?
C53 C54 H55 120.1 ?
C49 C54 H55 120.1 ?
C60 C55 C56 119.8(10) ?
C60 C55 P4 123.5(9) ?
C56 C55 P4 116.7(8) ?
C57 C56 C55 119.0(13) ?
C57 C56 H56 120.5 ?
C55 C56 H56 120.5 ?
C58 C57 C56 121.2(15) ?
C58 C57 H57 119.4 ?
C56 C57 H57 119.4 ?
C57 C58 C59 120.5(13) ?
C57 C58 H58 119.7 ?
C59 C58 H58 119.7 ?
C58 C59 C60 120.7(13) ?
C58 C59 H59 119.7 ?
C60 C59 H59 119.7 ?
C55 C60 C59 118.8(13) ?
C55 C60 H60 120.6 ?
C59 C60 H60 120.6 ?
C66 C61 C62 118.6(9) ?
C66 C61 P4 118.1(7) ?
C62 C61 P4 123.3(7) ?
C63 C62 C61 119.9(10) ?
C63 C62 H62 120 ?
C61 C62 H62 120 ?
C64 C63 C62 121.2(12) ?
C64 C63 H63 119.4 ?
C62 C63 H63 119.4 ?
C63 C64 C65 120.3(10) ?
C63 C64 H64 119.8 ?
C65 C64 H64 119.8 ?
C66 C65 C64 118.8(11) ?
C66 C65 H65 120.6 ?
C64 C65 H65 120.6 ?
C65 C66 C61 121.0(10) ?
C65 C66 H66 119.5 ?
C61 C66 H66 119.5 ?
C68 C67 C72 120.1(9) ?
C68 C67 P4 121.5(7) ?
C72 C67 P4 118.3(7) ?
C67 C68 C69 120.9(9) ?
C67 C68 H68 119.5 ?
C69 C68 H68 119.5 ?
C70 C69 C68 118.4(10) ?
C70 C69 H69 120.8 ?
C68 C69 H69 120.8 ?
C69 C70 C71 121.1(11) ?
C69 C70 H70 119.4 ?
C71 C70 H70 119.4 ?
C72 C71 C70 119.6(10) ?
C72 C71 H71 120.2 ?
C70 C71 H71 120.2 ?
C71 C72 C67 119.7(10) ?
C71 C72 H72 120.1 ?
C67 C72 H72 120.1 ?
O6 Co3 O5 107.2(2) n
O6 Co3 Cl6 107.5(2) ?
O5 Co3 Cl6 110.4(2) ?
O6 Co3 Cl5 106.4(2) ?
O5 Co3 Cl5 105.51(19) ?
Cl6 Co3 Cl5 119.28(17) n
O5 P5 C79 113.6(4) ?
O5 P5 C73 108.1(4) ?
C79 P5 C73 105.4(4) ?
O5 P5 C85 111.7(4) ?
C79 P5 C85 109.1(4) ?
C73 P5 C85 108.6(4) ?
O6 P6 C103 111.9(4) ?
O6 P6 C97 111.0(4) ?
C103 P6 C97 109.8(5) ?
O6 P6 C91 110.2(4) ?
C103 P6 C91 106.9(4) ?
C97 P6 C91 106.9(4) ?
P5 O5 Co3 138.4(4) n
P6 O6 Co3 140.5(4) n
C74 C73 C78 118.3(9) ?
C74 C73 P5 119.9(7) ?
C78 C73 P5 121.7(7) ?
C75 C74 C73 122.5(11) ?
C75 C74 H74 118.8 ?
C73 C74 H74 118.8 ?
C74 C75 C76 117.1(11) ?
C74 C75 H75 121.5 ?
C76 C75 H75 121.5 ?
C77 C76 C75 123.2(10) ?
C77 C76 H76 118.4 ?
C75 C76 H76 118.4 ?
C76 C77 C78 118.4(12) ?
C76 C77 H77 120.8 ?
C78 C77 H77 120.8 ?
C77 C78 C73 120.6(10) ?
C77 C78 H78 119.7 ?
C73 C78 H78 119.7 ?
C80 C79 C84 118.4(8) ?
C80 C79 P5 121.5(6) ?
C84 C79 P5 119.8(7) ?
C81 C80 C79 120.5(8) ?
C81 C80 H80 119.8 ?
C79 C80 H80 119.8 ?
C80 C81 C82 121.6(9) ?
C80 C81 H81 119.2 ?
C82 C81 H81 119.2 ?
C83 C82 C81 119.0(9) ?
C83 C82 H82 120.5 ?
C81 C82 H82 120.5 ?
C82 C83 C84 120.5(8) ?
C82 C83 H83 119.7 ?
C84 C83 H83 119.7 ?
C83 C84 C79 120.0(8) ?
C83 C84 H84 120 ?
C79 C84 H84 120 ?
C90 C85 C86 119.1(8) ?
C90 C85 P5 122.2(7) ?
C86 C85 P5 118.7(7) ?
C87 C86 C85 119.4(9) ?
C87 C86 H86 120.3 ?
C85 C86 H86 120.3 ?
C88 C87 C86 121.1(10) ?
C88 C87 H87 119.5 ?
C86 C87 H87 119.5 ?
C89 C88 C87 119.4(9) ?
C89 C88 H88 120.3 ?
C87 C88 H88 120.3 ?
C88 C89 C90 120.4(9) ?
C88 C89 H89 119.8 ?
C90 C89 H89 119.8 ?
C89 C90 C85 120.6(9) ?
C89 C90 H90 119.7 ?
C85 C90 H90 119.7 ?
C96 C91 C92 119.3(8) ?
C96 C91 P6 123.5(7) ?
C92 C91 P6 117.2(6) ?
C93 C92 C91 119.8(9) ?
C93 C92 H92 120.1 ?
C91 C92 H92 120.1 ?
C92 C93 C94 120.4(9) ?
C92 C93 H93 119.8 ?
C94 C93 H93 119.8 ?
C95 C94 C93 120.2(9) ?
C95 C94 H94 119.9 ?
C93 C94 H94 119.9 ?
C94 C95 C96 120.9(10) ?
C94 C95 H95 119.6 ?
C96 C95 H95 119.6 ?
C91 C96 C95 119.5(9) ?
C91 C96 H96 120.3 ?
C95 C96 H96 120.3 ?
C98 C97 C102 118.7(9) ?
C98 C97 P6 121.2(7) ?
C102 C97 P6 120.0(7) ?
C97 C98 C99 119.9(10) ?
C97 C98 H98 120.1 ?
C99 C98 H98 120.1 ?
C100 C99 C98 120.8(10) ?
C100 C99 H99 119.6 ?
C98 C99 H99 119.6 ?
C99 C100 C101 119.1(10) ?
C99 C100 H100 120.4 ?
C101 C100 H100 120.4 ?
C102 C101 C100 120.7(10) ?
C102 C101 H101 119.7 ?
C100 C101 H101 119.7 ?
C101 C102 C97 120.7(10) ?
C101 C102 H102 119.6 ?
C97 C102 H102 119.6 ?
C104 C103 C108 117.7(11) ?
C104 C103 P6 124.9(10) ?
C108 C103 P6 117.3(9) ?
C103 C104 C105 120.9(16) ?
C103 C104 H104 119.6 ?
C105 C104 H104 119.6 ?
C106 C105 C104 121.5(19) ?
C106 C105 H105 119.3 ?
C104 C105 H105 119.3 ?
C105 C106 C107 118.1(16) ?
C105 C106 H106 120.9 ?
C107 C106 H106 120.9 ?
C106 C107 C108 122.1(17) ?
C106 C107 H107 119 ?
C108 C107 H107 119 ?
C107 C108 C103 119.7(15) ?
C107 C108 H208 120.2 ?
C103 C108 H208 120.2 ?
O7 Co4 O8 104.8(2) n
O7 Co4 Cl7 108.01(19) ?
O8 Co4 Cl7 106.05(19) ?
O7 Co4 Cl8 105.44(19) ?
O8 Co4 Cl8 107.5(2) ?
Cl7 Co4 Cl8 123.64(14) n
O7 P7 C109 112.3(4) ?
O7 P7 C115 110.0(4) ?
C109 P7 C115 107.7(4) ?
O7 P7 C121 111.3(4) ?
C109 P7 C121 109.5(4) ?
C115 P7 C121 105.7(4) ?
O8 P8 C127 108.0(4) ?
O8 P8 C133 112.4(4) ?
C127 P8 C133 107.8(4) ?
O8 P8 C139 111.7(4) ?
C127 P8 C139 109.9(4) ?
C133 P8 C139 107.1(4) ?
P7 O7 Co4 143.4(4) n
P8 O8 Co4 148.3(4) n
C110 C109 C114 118.1(8) ?
C110 C109 P7 119.3(7) ?
C114 C109 P7 122.5(7) ?
C111 C110 C109 121.2(10) ?
C111 C110 H110 119.4 ?
C109 C110 H110 119.4 ?
C110 C111 C112 120.2(9) ?
C110 C111 H111 119.9 ?
C112 C111 H111 119.9 ?
C113 C112 C111 118.9(9) ?
C113 C112 H112 120.5 ?
C111 C112 H112 120.5 ?
C112 C113 C114 121.9(9) ?
C112 C113 H113 119 ?
C114 C113 H113 119 ?
C113 C114 C109 119.7(9) ?
C113 C114 H114 120.2 ?
C109 C114 H114 120.2 ?
C120 C115 C116 119.0(8) ?
C120 C115 P7 123.7(7) ?
C116 C115 P7 117.3(7) ?
C117 C116 C115 121.0(10) ?
C117 C116 H116 119.5 ?
C115 C116 H116 119.5 ?
C116 C117 C118 118.1(10) ?
C116 C117 H117 120.9 ?
C118 C117 H117 120.9 ?
C119 C118 C117 121.6(10) ?
C119 C118 H118 119.2 ?
C117 C118 H118 119.2 ?
C118 C119 C120 119.4(11) ?
C118 C119 H119 120.3 ?
C120 C119 H119 120.3 ?
C119 C120 C115 120.8(10) ?
C119 C120 H120 119.6 ?
C115 C120 H120 119.6 ?
C126 C121 C122 118.3(9) ?
C126 C121 P7 120.6(7) ?
C122 C121 P7 121.1(7) ?
C123 C122 C121 120.6(9) ?
C123 C122 H122 119.7 ?
C121 C122 H122 119.7 ?
C122 C123 C124 120.4(9) ?
C122 C123 H123 119.8 ?
C124 C123 H123 119.8 ?
C125 C124 C123 119.8(9) ?
C125 C124 H124 120.1 ?
C123 C124 H124 120.1 ?
C124 C125 C126 120.3(9) ?
C124 C125 H125 119.8 ?
C126 C125 H125 119.8 ?
C121 C126 C125 120.5(9) ?
C121 C126 H126 119.8 ?
C125 C126 H126 119.8 ?
C132 C127 C128 119.1(9) ?
C132 C127 P8 118.1(7) ?
C128 C127 P8 122.8(7) ?
C129 C128 C127 119.1(10) ?
C129 C128 H128 120.4 ?
C127 C128 H128 120.4 ?
C130 C129 C128 119.9(10) ?
C130 C129 H129 120 ?
C128 C129 H129 120 ?
C131 C130 C129 122.4(10) ?
C131 C130 H130 118.8 ?
C129 C130 H130 118.8 ?
C130 C131 C132 119.0(11) ?
C130 C131 H131 120.5 ?
C132 C131 H131 120.5 ?
C127 C132 C131 120.4(10) ?
C127 C132 H132 119.8 ?
C131 C132 H132 119.8 ?
C134 C133 C138 118.4(9) ?
C134 C133 P8 122.5(7) ?
C138 C133 P8 118.9(7) ?
C133 C134 C135 120.8(10) ?
C133 C134 H134 119.6 ?
C135 C134 H134 119.6 ?
C136 C135 C134 118.6(11) ?
C136 C135 H135 120.7 ?
C134 C135 H135 120.7 ?
C137 C136 C135 121.3(10) ?
C137 C136 H136 119.3 ?
C135 C136 H136 119.3 ?
C136 C137 C138 120.2(10) ?
C136 C137 H137 119.9 ?
C138 C137 H137 119.9 ?
C133 C138 C137 120.6(10) ?
C133 C138 H138 119.7 ?
C137 C138 H138 119.7 ?
C144 C139 C140 119.1(9) ?
C144 C139 P8 118.3(7) ?
C140 C139 P8 122.5(7) ?
C141 C140 C139 119.3(10) ?
C141 C140 H140 120.3 ?
C139 C140 H140 120.3 ?
C142 C141 C140 121.9(10) ?
C142 C141 H141 119 ?
C140 C141 H141 119 ?
C141 C142 C143 119.2(10) ?
C141 C142 H142 120.4 ?
C143 C142 H142 120.4 ?
C142 C143 C144 120.0(12) ?
C142 C143 H143 120 ?
C144 C143 H143 120 ?
C139 C144 C143 120.4(10) ?
C139 C144 H144 119.8 ?
C143 C144 H144 119.8 ?
C145 O9 H9B 109.2 ?
O9 C145 H145 109.5 ?
O9 C145 H146 109.4 ?
H145 C145 H146 109.5 ?
O9 C145 H147 109.5 ?
H145 C145 H147 109.5 ?
H146 C145 H147 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 O1 1.952(6) n
Co1 O2 1.972(6) n
Co1 Cl1 2.247(2) n
Co1 Cl2 2.260(3) n
P1 O1 1.506(6) ?
P1 C7 1.780(9) ?
P1 C1 1.784(8) ?
P1 C13 1.784(9) ?
P2 O2 1.507(6) ?
P2 C19 1.792(9) ?
P2 C31 1.800(9) ?
P2 C25 1.799(9) ?
C1 C2 1.398(11) ?
C1 C6 1.410(12) ?
C2 C3 1.387(12) ?
C2 H2 0.95 ?
C3 C4 1.372(13) ?
C3 H3 0.95 ?
C4 C5 1.381(13) ?
C4 H4 0.95 ?
C5 C6 1.386(12) ?
C5 H5 0.95 ?
C6 H6 0.95 ?
C7 C12 1.413(12) ?
C7 C8 1.414(12) ?
C8 C9 1.381(13) ?
C8 H8 0.95 ?
C9 C10 1.416(14) ?
C9 H9 0.95 ?
C10 C11 1.370(13) ?
C10 H10 0.95 ?
C11 C12 1.352(13) ?
C11 H11 0.95 ?
C12 H12 0.95 ?
C13 C18 1.375(15) ?
C13 C14 1.402(15) ?
C14 C15 1.385(17) ?
C14 H14 0.95 ?
C15 C16 1.38(2) ?
C15 H15 0.95 ?
C16 C17 1.39(2) ?
C16 H16 0.95 ?
C17 C18 1.370(15) ?
C17 H17 0.95 ?
C18 H18 0.95 ?
C19 C24 1.387(12) ?
C19 C20 1.398(13) ?
C20 C21 1.393(13) ?
C20 H20 0.95 ?
C21 C22 1.372(14) ?
C21 H21 0.95 ?
C22 C23 1.383(14) ?
C22 H22 0.95 ?
C23 C24 1.397(13) ?
C23 H23 0.95 ?
C24 H24 0.95 ?
C25 C26 1.382(12) ?
C25 C30 1.400(12) ?
C26 C27 1.394(13) ?
C26 H26 0.95 ?
C27 C28 1.401(14) ?
C27 H27 0.95 ?
C28 C29 1.358(14) ?
C28 H28 0.95 ?
C29 C30 1.364(13) ?
C29 H29 0.95 ?
C30 H31 0.95 ?
C31 C32 1.393(13) ?
C31 C36 1.407(13) ?
C32 C33 1.384(13) ?
C32 H32 0.95 ?
C33 C34 1.358(14) ?
C33 H33 0.95 ?
C34 C35 1.375(15) ?
C34 H34 0.95 ?
C35 C36 1.381(13) ?
C35 H35 0.95 ?
C36 H36 0.95 ?
Co2 O4 1.959(6) n
Co2 O3 1.988(6) n
Co2 Cl4 2.226(3) n
Co2 Cl3 2.251(3) n
P3 O3 1.500(6) ?
P3 C49 1.791(9) ?
P3 C43 1.793(9) ?
P3 C37 1.797(9) ?
P4 O4 1.508(6) ?
P4 C55 1.790(9) ?
P4 C61 1.796(9) ?
P4 C67 1.815(10) ?
C37 C38 1.391(12) ?
C37 C42 1.394(12) ?
C38 C39 1.413(13) ?
C38 H38 0.95 ?
C39 C40 1.407(13) ?
C39 H39 0.95 ?
C40 C41 1.377(13) ?
C40 H40 0.95 ?
C41 C42 1.378(13) ?
C41 H41 0.95 ?
C42 H42 0.95 ?
C43 C48 1.379(12) ?
C43 C44 1.399(13) ?
C44 C45 1.356(13) ?
C44 H44 0.95 ?
C45 C46 1.389(14) ?
C45 H45 0.95 ?
C46 C47 1.399(15) ?
C46 H46 0.95 ?
C47 C48 1.413(13) ?
C47 H47 0.95 ?
C48 H48 0.95 ?
C49 C50 1.381(13) ?
C49 C54 1.404(12) ?
C50 C51 1.398(14) ?
C50 H50 0.95 ?
C51 C52 1.386(15) ?
C51 H51 0.95 ?
C52 C53 1.389(15) ?
C52 H52 0.95 ?
C53 C54 1.384(13) ?
C53 H53 0.95 ?
C54 H55 0.95 ?
C55 C60 1.372(14) ?
C55 C56 1.418(15) ?
C56 C57 1.384(15) ?
C56 H56 0.95 ?
C57 C58 1.34(2) ?
C57 H57 0.95 ?
C58 C59 1.37(2) ?
C58 H58 0.95 ?
C59 C60 1.410(16) ?
C59 H59 0.95 ?
C60 H60 0.95 ?
C61 C66 1.388(13) ?
C61 C62 1.389(13) ?
C62 C63 1.369(13) ?
C62 H62 0.95 ?
C63 C64 1.345(17) ?
C63 H63 0.95 ?
C64 C65 1.399(18) ?
C64 H64 0.95 ?
C65 C66 1.369(15) ?
C65 H65 0.95 ?
C66 H66 0.95 ?
C67 C68 1.372(12) ?
C67 C72 1.379(13) ?
C68 C69 1.377(14) ?
C68 H68 0.95 ?
C69 C70 1.377(14) ?
C69 H69 0.95 ?
C70 C71 1.383(16) ?
C70 H70 0.95 ?
C71 C72 1.371(16) ?
C71 H71 0.95 ?
C72 H72 0.95 ?
Co3 O6 1.968(6) n
Co3 O5 1.988(6) n
Co3 Cl6 2.221(3) n
Co3 Cl5 2.245(3) n
P5 O5 1.513(6) ?
P5 C79 1.782(9) ?
P5 C73 1.787(9) ?
P5 C85 1.795(8) ?
P6 O6 1.507(6) ?
P6 C103 1.766(10) ?
P6 C97 1.789(10) ?
P6 C91 1.796(8) ?
C73 C74 1.379(13) ?
C73 C78 1.404(13) ?
C74 C75 1.381(15) ?
C74 H74 0.95 ?
C75 C76 1.387(18) ?
C75 H75 0.95 ?
C76 C77 1.366(18) ?
C76 H76 0.95 ?
C77 C78 1.389(14) ?
C77 H77 0.95 ?
C78 H78 0.95 ?
C79 C80 1.398(12) ?
C79 C84 1.409(11) ?
C80 C81 1.357(13) ?
C80 H80 0.95 ?
C81 C82 1.385(13) ?
C81 H81 0.95 ?
C82 C83 1.380(13) ?
C82 H82 0.95 ?
C83 C84 1.386(12) ?
C83 H83 0.95 ?
C84 H84 0.95 ?
C85 C90 1.385(12) ?
C85 C86 1.394(13) ?
C86 C87 1.390(13) ?
C86 H86 0.95 ?
C87 C88 1.375(14) ?
C87 H87 0.95 ?
C88 C89 1.376(14) ?
C88 H88 0.95 ?
C89 C90 1.382(12) ?
C89 H89 0.95 ?
C90 H90 0.95 ?
C91 C96 1.384(12) ?
C91 C92 1.412(12) ?
C92 C93 1.380(13) ?
C92 H92 0.95 ?
C93 C94 1.386(14) ?
C93 H93 0.95 ?
C94 C95 1.357(15) ?
C94 H94 0.95 ?
C95 C96 1.404(13) ?
C95 H95 0.95 ?
C96 H96 0.95 ?
C97 C98 1.396(13) ?
C97 C102 1.396(13) ?
C98 C99 1.402(15) ?
C98 H98 0.95 ?
C99 C100 1.372(15) ?
C99 H99 0.95 ?
C100 C101 1.395(15) ?
C100 H100 0.95 ?
C101 C102 1.375(15) ?
C101 H101 0.95 ?
C102 H102 0.95 ?
C103 C104 1.382(16) ?
C103 C108 1.407(16) ?
C104 C105 1.39(2) ?
C104 H104 0.95 ?
C105 C106 1.37(3) ?
C105 H105 0.95 ?
C106 C107 1.37(3) ?
C106 H106 0.95 ?
C107 C108 1.385(17) ?
C107 H107 0.95 ?
C108 H208 0.95 ?
Co4 O7 1.955(6) n
Co4 O8 1.988(6) n
Co4 Cl7 2.226(3) n
Co4 Cl8 2.260(3) n
P7 O7 1.518(6) ?
P7 C109 1.781(9) ?
P7 C115 1.786(8) ?
P7 C121 1.791(9) ?
P8 O8 1.495(6) ?
P8 C127 1.777(9) ?
P8 C133 1.785(9) ?
P8 C139 1.792(9) ?
C109 C110 1.384(12) ?
C109 C114 1.415(13) ?
C110 C111 1.374(13) ?
C110 H110 0.95 ?
C111 C112 1.391(14) ?
C111 H111 0.95 ?
C112 C113 1.367(14) ?
C112 H112 0.95 ?
C113 C114 1.367(13) ?
C113 H113 0.95 ?
C114 H114 0.95 ?
C115 C120 1.385(12) ?
C115 C116 1.392(12) ?
C116 C117 1.375(14) ?
C116 H116 0.95 ?
C117 C118 1.405(16) ?
C117 H117 0.95 ?
C118 C119 1.361(16) ?
C118 H118 0.95 ?
C119 C120 1.377(14) ?
C119 H119 0.95 ?
C120 H120 0.95 ?
C121 C126 1.381(13) ?
C121 C122 1.392(13) ?
C122 C123 1.370(13) ?
C122 H122 0.95 ?
C123 C124 1.385(14) ?
C123 H123 0.95 ?
C124 C125 1.350(14) ?
C124 H124 0.95 ?
C125 C126 1.396(14) ?
C125 H125 0.95 ?
C126 H126 0.95 ?
C127 C132 1.394(13) ?
C127 C128 1.414(13) ?
C128 C129 1.397(14) ?
C128 H128 0.95 ?
C129 C130 1.368(16) ?
C129 H129 0.95 ?
C130 C131 1.355(15) ?
C130 H130 0.95 ?
C131 C132 1.407(14) ?
C131 H131 0.95 ?
C132 H132 0.95 ?
C133 C134 1.387(14) ?
C133 C138 1.391(12) ?
C134 C135 1.416(14) ?
C134 H134 0.95 ?
C135 C136 1.378(14) ?
C135 H135 0.95 ?
C136 C137 1.357(15) ?
C136 H136 0.95 ?
C137 C138 1.396(13) ?
C137 H137 0.95 ?
C138 H138 0.95 ?
C139 C144 1.381(13) ?
C139 C140 1.403(12) ?
C140 C141 1.380(13) ?
C140 H140 0.95 ?
C141 C142 1.360(15) ?
C141 H141 0.95 ?
C142 C143 1.391(15) ?
C142 H142 0.95 ?
C143 C144 1.392(14) ?
C143 H143 0.95 ?
C144 H144 0.95 ?
O9 C145 1.33(4) ?
O9 H9B 0.8402 ?
C145 H145 0.98 ?
C145 H146 0.98 ?
C145 H147 0.98 ?
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_publ_flag
C7 P1 O1 Co1 -62.7(9) n
C1 P1 O1 Co1 178.9(7) n
C13 P1 O1 Co1 58.7(9) n
O2 Co1 O1 P1 -5.1(9) ?
Cl1 Co1 O1 P1 110.9(8) y
Cl2 Co1 O1 P1 -118.3(8) y
C19 P2 O2 Co1 -85.6(9) n
C31 P2 O2 Co1 34.6(10) n
C25 P2 O2 Co1 156.5(8) n
O1 Co1 O2 P2 156.5(9) ?
Cl1 Co1 O2 P2 38.4(9) y
Cl2 Co1 O2 P2 -91.9(9) y
O1 P1 C1 C2 43.9(8) ?
C7 P1 C1 C2 -77.5(8) ?
C13 P1 C1 C2 166.8(7) ?
O1 P1 C1 C6 -137.7(8) ?
C7 P1 C1 C6 100.8(8) ?
C13 P1 C1 C6 -14.8(9) ?
C6 C1 C2 C3 0.1(13) ?
P1 C1 C2 C3 178.6(7) ?
C1 C2 C3 C4 1.8(14) ?
C2 C3 C4 C5 -3.0(14) ?
C3 C4 C5 C6 2.1(15) ?
C4 C5 C6 C1 -0.1(14) ?
C2 C1 C6 C5 -1.0(13) ?
P1 C1 C6 C5 -179.4(7) ?
O1 P1 C7 C12 -151.0(7) ?
C1 P1 C7 C12 -31.4(8) ?
C13 P1 C7 C12 84.7(8) ?
O1 P1 C7 C8 29.1(8) ?
C1 P1 C7 C8 148.7(7) ?
C13 P1 C7 C8 -95.2(7) ?
C12 C7 C8 C9 0.4(13) ?
P1 C7 C8 C9 -179.7(8) ?
C7 C8 C9 C10 1.3(15) ?
C8 C9 C10 C11 -2.9(15) ?
C9 C10 C11 C12 3.0(15) ?
C10 C11 C12 C7 -1.3(14) ?
C8 C7 C12 C11 -0.4(13) ?
P1 C7 C12 C11 179.7(7) ?
O1 P1 C13 C18 -142.7(8) ?
C7 P1 C13 C18 -18.8(9) ?
C1 P1 C13 C18 96.6(9) ?
O1 P1 C13 C14 40.1(9) ?
C7 P1 C13 C14 164.0(7) ?
C1 P1 C13 C14 -80.6(8) ?
C18 C13 C14 C15 -2.9(15) ?
P1 C13 C14 C15 174.4(9) ?
C13 C14 C15 C16 1.0(18) ?
C14 C15 C16 C17 1(2) ?
C15 C16 C17 C18 -2(2) ?
C16 C17 C18 C13 0.1(18) ?
C14 C13 C18 C17 2.3(16) ?
P1 C13 C18 C17 -174.9(9) ?
O2 P2 C19 C24 63.9(8) ?
C31 P2 C19 C24 -58.6(8) ?
C25 P2 C19 C24 -177.9(7) ?
O2 P2 C19 C20 -111.3(8) ?
C31 P2 C19 C20 126.2(8) ?
C25 P2 C19 C20 6.9(9) ?
C24 C19 C20 C21 -0.2(14) ?
P2 C19 C20 C21 175.0(7) ?
C19 C20 C21 C22 -0.8(15) ?
C20 C21 C22 C23 1.2(15) ?
C21 C22 C23 C24 -0.7(14) ?
C20 C19 C24 C23 0.7(13) ?
P2 C19 C24 C23 -174.6(7) ?
C22 C23 C24 C19 -0.2(13) ?
O2 P2 C25 C26 23.1(8) ?
C19 P2 C25 C26 -97.4(8) ?
C31 P2 C25 C26 145.4(7) ?
O2 P2 C25 C30 -161.8(7) ?
C19 P2 C25 C30 77.6(8) ?
C31 P2 C25 C30 -39.5(9) ?
C30 C25 C26 C27 1.2(15) ?
P2 C25 C26 C27 176.4(8) ?
C25 C26 C27 C28 1.0(16) ?
C26 C27 C28 C29 -2.1(16) ?
C27 C28 C29 C30 1.0(17) ?
C28 C29 C30 C25 1.2(16) ?
C26 C25 C30 C29 -2.3(14) ?
P2 C25 C30 C29 -177.3(8) ?
O2 P2 C31 C32 18.6(8) ?
C19 P2 C31 C32 141.1(7) ?
C25 P2 C31 C32 -101.7(8) ?
O2 P2 C31 C36 -162.1(7) ?
C19 P2 C31 C36 -39.5(8) ?
C25 P2 C31 C36 77.7(8) ?
C36 C31 C32 C33 1.3(13) ?
P2 C31 C32 C33 -179.3(7) ?
C31 C32 C33 C34 -1.1(15) ?
C32 C33 C34 C35 -0.4(16) ?
C33 C34 C35 C36 1.6(15) ?
C34 C35 C36 C31 -1.4(14) ?
C32 C31 C36 C35 -0.1(13) ?
P2 C31 C36 C35 -179.5(7) ?
C49 P3 O3 Co2 -51.2(9) n
C43 P3 O3 Co2 69.5(9) n
C37 P3 O3 Co2 -173.2(7) n
O4 Co2 O3 P3 -135.9(7) ?
Cl3 Co2 O3 P3 -21.2(8) y
Cl4 Co2 O3 P3 109.5(7) y
C55 P4 O4 Co2 -30.7(8) ?
C61 P4 O4 Co2 -150.8(6) ?
C67 P4 O4 Co2 91.7(7) ?
O3 Co2 O4 P4 -28.3(7) ?
Cl3 Co2 O4 P4 -147.4(6) y
Cl4 Co2 O4 P4 87.5(7) y
O3 P3 C37 C38 -17.4(8) ?
C49 P3 C37 C38 -140.4(7) ?
C43 P3 C37 C38 103.7(7) ?
O3 P3 C37 C42 167.1(7) ?
C49 P3 C37 C42 44.1(9) ?
C43 P3 C37 C42 -71.8(8) ?
C42 C37 C38 C39 1.6(14) ?
P3 C37 C38 C39 -174.1(7) ?
C37 C38 C39 C40 -1.3(14) ?
C38 C39 C40 C41 0.7(15) ?
C39 C40 C41 C42 -0.4(15) ?
C40 C41 C42 C37 0.6(15) ?
C38 C37 C42 C41 -1.2(14) ?
P3 C37 C42 C41 174.2(7) ?
O3 P3 C43 C48 -62.5(8) ?
C49 P3 C43 C48 60.5(8) ?
C37 P3 C43 C48 178.0(7) ?
O3 P3 C43 C44 115.1(8) ?
C49 P3 C43 C44 -121.8(8) ?
C37 P3 C43 C44 -4.3(9) ?
C48 C43 C44 C45 3.2(14) ?
P3 C43 C44 C45 -174.4(8) ?
C43 C44 C45 C46 -0.5(15) ?
C44 C45 C46 C47 -2.5(15) ?
C45 C46 C47 C48 2.8(15) ?
C44 C43 C48 C47 -2.8(14) ?
P3 C43 C48 C47 174.9(7) ?
C46 C47 C48 C43 -0.2(15) ?
O3 P3 C49 C50 -29.7(8) ?
C43 P3 C49 C50 -153.1(7) ?
C37 P3 C49 C50 92.1(8) ?
O3 P3 C49 C54 150.5(7) ?
C43 P3 C49 C54 27.1(9) ?
C37 P3 C49 C54 -87.7(8) ?
C54 C49 C50 C51 1.7(14) ?
P3 C49 C50 C51 -178.2(8) ?
C49 C50 C51 C52 -2.0(16) ?
C50 C51 C52 C53 1.0(16) ?
C51 C52 C53 C54 0.4(16) ?
C52 C53 C54 C49 -0.8(15) ?
C50 C49 C54 C53 -0.3(14) ?
P3 C49 C54 C53 179.6(7) ?
O4 P4 C55 C60 135.9(8) ?
C61 P4 C55 C60 -102.2(8) ?
C67 P4 C55 C60 12.2(9) ?
O4 P4 C55 C56 -46.9(8) ?
C61 P4 C55 C56 75.0(8) ?
C67 P4 C55 C56 -170.6(7) ?
C60 C55 C56 C57 0.2(15) ?
P4 C55 C56 C57 -177.1(8) ?
C55 C56 C57 C58 1.1(18) ?
C56 C57 C58 C59 -1.5(19) ?
C57 C58 C59 C60 0.4(18) ?
C56 C55 C60 C59 -1.2(14) ?
P4 C55 C60 C59 175.9(7) ?
C58 C59 C60 C55 0.9(15) ?
O4 P4 C61 C66 -36.3(8) ?
C55 P4 C61 C66 -159.9(7) ?
C67 P4 C61 C66 84.2(8) ?
O4 P4 C61 C62 143.8(8) ?
C55 P4 C61 C62 20.2(9) ?
C67 P4 C61 C62 -95.8(9) ?
C66 C61 C62 C63 -3.5(15) ?
P4 C61 C62 C63 176.5(8) ?
C61 C62 C63 C64 1.9(18) ?
C62 C63 C64 C65 -0.6(19) ?
C63 C64 C65 C66 1.1(18) ?
C64 C65 C66 C61 -2.8(16) ?
C62 C61 C66 C65 4.0(14) ?
P4 C61 C66 C65 -175.9(8) ?
O4 P4 C67 C68 148.7(8) ?
C55 P4 C67 C68 -86.3(8) ?
C61 P4 C67 C68 28.7(9) ?
O4 P4 C67 C72 -29.8(9) ?
C55 P4 C67 C72 95.2(9) ?
C61 P4 C67 C72 -149.9(8) ?
C72 C67 C68 C69 -0.5(15) ?
P4 C67 C68 C69 -179.0(8) ?
C67 C68 C69 C70 0.8(16) ?
C68 C69 C70 C71 -1.3(18) ?
C69 C70 C71 C72 1.4(19) ?
C70 C71 C72 C67 -1.1(18) ?
C68 C67 C72 C71 0.6(16) ?
P4 C67 C72 C71 179.2(9) ?
C79 P5 O5 Co3 71.1(6) n
C73 P5 O5 Co3 -172.3(5) n
C85 P5 O5 Co3 -52.9(6) n
O6 Co3 O5 P5 -140.3(5) ?
Cl5 Co3 O5 P5 -27.2(6) y
Cl6 Co3 O5 P5 102.9(5) y
C103 P6 O6 Co3 -40.4(8) n
C97 P6 O6 Co3 82.6(7) n
C91 P6 O6 Co3 -159.3(6) n
O5 Co3 O6 P6 -12.5(7) ?
Cl5 Co3 O6 P6 -125.0(6) y
Cl6 Co3 O6 P6 106.2(6) y
O5 P5 C73 C74 -7.3(9) ?
C79 P5 C73 C74 114.5(8) ?
C85 P5 C73 C74 -128.7(8) ?
O5 P5 C73 C78 175.9(8) ?
C79 P5 C73 C78 -62.3(9) ?
C85 P5 C73 C78 54.5(9) ?
C78 C73 C74 C75 -0.5(15) ?
P5 C73 C74 C75 -177.4(9) ?
C73 C74 C75 C76 0.5(17) ?
C74 C75 C76 C77 -0.7(19) ?
C75 C76 C77 C78 0.9(19) ?
C76 C77 C78 C73 -0.9(18) ?
C74 C73 C78 C77 0.7(16) ?
P5 C73 C78 C77 177.5(9) ?
O5 P5 C79 C80 90.4(8) ?
C73 P5 C79 C80 -27.7(8) ?
C85 P5 C79 C80 -144.2(7) ?
O5 P5 C79 C84 -83.4(7) ?
C73 P5 C79 C84 158.5(7) ?
C85 P5 C79 C84 42.0(8) ?
C84 C79 C80 C81 -1.3(13) ?
P5 C79 C80 C81 -175.2(7) ?
C79 C80 C81 C82 -0.3(15) ?
C80 C81 C82 C83 1.9(16) ?
C81 C82 C83 C84 -1.8(14) ?
C82 C83 C84 C79 0.2(13) ?
C80 C79 C84 C83 1.4(12) ?
P5 C79 C84 C83 175.4(6) ?
O5 P5 C85 C90 165.8(7) ?
C79 P5 C85 C90 39.4(8) ?
C73 P5 C85 C90 -75.1(8) ?
O5 P5 C85 C86 -14.1(8) ?
C79 P5 C85 C86 -140.5(7) ?
C73 P5 C85 C86 105.0(7) ?
C90 C85 C86 C87 1.9(14) ?
P5 C85 C86 C87 -178.1(8) ?
C85 C86 C87 C88 -1.1(16) ?
C86 C87 C88 C89 1.5(16) ?
C87 C88 C89 C90 -2.9(15) ?
C88 C89 C90 C85 3.9(13) ?
C86 C85 C90 C89 -3.3(13) ?
P5 C85 C90 C89 176.7(7) ?
O6 P6 C91 C96 138.2(8) ?
C103 P6 C91 C96 16.3(9) ?
C97 P6 C91 C96 -101.1(8) ?
O6 P6 C91 C92 -43.7(8) ?
C103 P6 C91 C92 -165.5(8) ?
C97 P6 C91 C92 77.0(8) ?
C96 C91 C92 C93 0.0(14) ?
P6 C91 C92 C93 -178.3(8) ?
C91 C92 C93 C94 -0.1(15) ?
C92 C93 C94 C95 0.1(16) ?
C93 C94 C95 C96 0.1(17) ?
C92 C91 C96 C95 0.3(14) ?
P6 C91 C96 C95 178.4(8) ?
C94 C95 C96 C91 -0.3(16) ?
O6 P6 C97 C98 151.8(8) ?
C103 P6 C97 C98 -84.0(9) ?
C91 P6 C97 C98 31.6(10) ?
O6 P6 C97 C102 -26.2(10) ?
C103 P6 C97 C102 98.0(9) ?
C91 P6 C97 C102 -146.4(8) ?
C102 C97 C98 C99 0.4(17) ?
P6 C97 C98 C99 -177.6(9) ?
C97 C98 C99 C100 -0.8(19) ?
C98 C99 C100 C101 2(2) ?
C99 C100 C101 C102 -3(2) ?
C100 C101 C102 C97 2.4(19) ?
C98 C97 C102 C101 -1.2(16) ?
P6 C97 C102 C101 176.8(9) ?
O6 P6 C103 C104 138.1(8) ?
C97 P6 C103 C104 14.4(10) ?
C91 P6 C103 C104 -101.1(9) ?
O6 P6 C103 C108 -45.8(9) ?
C97 P6 C103 C108 -169.4(7) ?
C91 P6 C103 C108 75.0(8) ?
C108 C103 C104 C105 -1.7(15) ?
P6 C103 C104 C105 174.5(9) ?
C103 C104 C105 C106 2(2) ?
C104 C105 C106 C107 0(2) ?
C105 C106 C107 C108 -1(2) ?
C106 C107 C108 C103 0.6(18) ?
C104 C103 C108 C107 0.6(14) ?
P6 C103 C108 C107 -175.8(8) ?
C109 P7 O7 Co4 49.4(7) n
C115 P7 O7 Co4 169.3(6) n
C121 P7 O7 Co4 -73.9(7) n
O8 Co4 O7 P7 15.7(7) ?
Cl7 Co4 O7 P7 128.4(6) y
Cl8 Co4 O7 P7 -97.6(6) y
C127 P8 O8 Co4 155.8(7) n
C133 P8 O8 Co4 -85.5(8) n
C139 P8 O8 Co4 34.9(8) n
O7 Co4 O8 P8 156.3(7) ?
Cl7 Co4 O8 P8 42.1(8) y
Cl8 Co4 O8 P8 -91.9(7) y
O7 P7 C109 C110 43.1(8) ?
C115 P7 C109 C110 -78.2(7) ?
C121 P7 C109 C110 167.3(7) ?
O7 P7 C109 C114 -141.5(7) ?
C115 P7 C109 C114 97.2(8) ?
C121 P7 C109 C114 -17.2(8) ?
C114 C109 C110 C111 -1.0(13) ?
P7 C109 C110 C111 174.7(7) ?
C109 C110 C111 C112 1.3(14) ?
C110 C111 C112 C113 -0.3(14) ?
C111 C112 C113 C114 -1.0(15) ?
C112 C113 C114 C109 1.3(15) ?
C110 C109 C114 C113 -0.3(13) ?
P7 C109 C114 C113 -175.8(7) ?
O7 P7 C115 C120 -132.3(8) ?
C109 P7 C115 C120 -9.6(9) ?
C121 P7 C115 C120 107.4(8) ?
O7 P7 C115 C116 50.4(8) ?
C109 P7 C115 C116 173.1(7) ?
C121 P7 C115 C116 -69.9(8) ?
C120 C115 C116 C117 -1.8(14) ?
P7 C115 C116 C117 175.6(8) ?
C115 C116 C117 C118 1.9(15) ?
C116 C117 C118 C119 -1.2(17) ?
C117 C118 C119 C120 0.5(18) ?
C118 C119 C120 C115 -0.3(18) ?
C116 C115 C120 C119 1.0(15) ?
P7 C115 C120 C119 -176.2(9) ?
O7 P7 C121 C126 31.2(9) ?
C109 P7 C121 C126 -93.6(8) ?
C115 P7 C121 C126 150.6(8) ?
O7 P7 C121 C122 -149.6(8) ?
C109 P7 C121 C122 85.6(8) ?
C115 P7 C121 C122 -30.2(9) ?
C126 C121 C122 C123 -0.5(15) ?
P7 C121 C122 C123 -179.7(9) ?
C121 C122 C123 C124 -1.1(17) ?
C122 C123 C124 C125 0.6(17) ?
C123 C124 C125 C126 1.5(16) ?
C122 C121 C126 C125 2.6(14) ?
P7 C121 C126 C125 -178.2(8) ?
C124 C125 C126 C121 -3.1(16) ?
O8 P8 C127 C132 27.2(9) ?
C133 P8 C127 C132 -94.4(8) ?
C139 P8 C127 C132 149.2(8) ?
O8 P8 C127 C128 -155.2(8) ?
C133 P8 C127 C128 83.2(9) ?
C139 P8 C127 C128 -33.2(9) ?
C132 C127 C128 C129 0.2(14) ?
P8 C127 C128 C129 -177.4(8) ?
C127 C128 C129 C130 0.1(16) ?
C128 C129 C130 C131 -0.6(17) ?
C129 C130 C131 C132 0.9(17) ?
C128 C127 C132 C131 0.1(15) ?
P8 C127 C132 C131 177.8(8) ?
C130 C131 C132 C127 -0.6(16) ?
O8 P8 C133 C134 -116.4(8) ?
C127 P8 C133 C134 2.5(9) ?
C139 P8 C133 C134 120.6(8) ?
O8 P8 C133 C138 60.1(8) ?
C127 P8 C133 C138 179.0(7) ?
C139 P8 C133 C138 -62.9(8) ?
C138 C133 C134 C135 -1.3(15) ?
P8 C133 C134 C135 175.2(8) ?
C133 C134 C135 C136 0.8(16) ?
C134 C135 C136 C137 0.5(16) ?
C135 C136 C137 C138 -1.2(16) ?
C134 C133 C138 C137 0.6(14) ?
P8 C133 C138 C137 -176.1(7) ?
C136 C137 C138 C133 0.7(15) ?
O8 P8 C139 C144 22.5(9) ?
C127 P8 C139 C144 -97.2(8) ?
C133 P8 C139 C144 146.0(8) ?
O8 P8 C139 C140 -156.2(7) ?
C127 P8 C139 C140 84.0(8) ?
C133 P8 C139 C140 -32.8(9) ?
C144 C139 C140 C141 1.8(14) ?
P8 C139 C140 C141 -179.5(7) ?
C139 C140 C141 C142 -1.6(15) ?
C140 C141 C142 C143 2.3(16) ?
C141 C142 C143 C144 -3.2(17) ?
C140 C139 C144 C143 -2.7(15) ?
P8 C139 C144 C143 178.5(8) ?
C142 C143 C144 C139 3.5(17) ?
