# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex_C1
_audit_block_doi                 10.5517/ccdc.csd.cc28kfmx
_database_code_depnum_ccdc_archive 'CCDC 2102129'
loop_
_audit_author_name
_audit_author_address
'Jordi Benet-Buchholz'
;ICIQ
Spain
;
_audit_update_record             
;
2021-08-08 deposited with the CCDC.	2022-03-22 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT112_AM173               
;
PROBLEM: ADDSYM Detects New (Pseudo) Symm. Elem         B         95 %Fit  
RESPONSE: The possible missed symmetry is not possible due to the
 presence of two disordered solvent molecules (pentane and toluene)
 which are not take in account for the tests.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50.50 H47 Co O3 P2'
_chemical_formula_weight         822.75

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.9652(3)
_cell_length_b                   18.3490(5)
_cell_length_c                   23.3602(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.462(3)
_cell_angle_gamma                90
_cell_volume                     4244.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    14069
_cell_measurement_theta_min      2.7500
_cell_measurement_theta_max      33.7430

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_F_000             1724
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.522
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.33535
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.40.35a (Rigaku Oxford Diffraction, 2018)
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus rotating anode X-ray tube'
_diffrn_source_type              'Rigaku MicroMax-007HF'
_diffrn_source_power             50
_diffrn_source_current           24
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Confocal Max Flux optic'
_diffrn_detector_type            'PILATUS 200K'
_diffrn_measurement_device_type  '1/4chi goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            76515
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.337
_diffrn_reflns_theta_max         34.798
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             17442
_reflns_number_gt                10104
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.40.35 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.35 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.35 (Rigaku OD, 2018)'
_computing_structure_solution    Sir2014
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'shelXle (Hübschle, Sheldrick and Dittirch, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0651P)²+1.7686P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17442
_refine_ls_number_parameters     678
_refine_ls_number_restraints     739
_refine_ls_R_factor_all          0.1079
_refine_ls_R_factor_gt           0.0512
_refine_ls_wR_factor_ref         0.1468
_refine_ls_wR_factor_gt          0.1233
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.03415(2) 0.26079(2) 0.19893(2) 0.02167(6) Uani 1 1 d . . . . .
H1 H -0.058(2) 0.2574(11) 0.1433(10) 0.033 Uiso 1 1 d . U . . .
P1 P -0.08139(4) 0.16253(2) 0.21471(2) 0.01764(9) Uani 1 1 d . . . . .
P2 P -0.08390(4) 0.35841(2) 0.21338(2) 0.01905(9) Uani 1 1 d . . . . .
O1 O -0.18362(11) 0.26021(6) 0.29485(5) 0.0182(2) Uani 1 1 d . . . . .
O2 O 0.21171(19) 0.26881(11) 0.10995(9) 0.0563(5) Uani 1 1 d . . . . .
O3 O 0.2159(2) 0.26145(10) 0.30501(8) 0.0555(5) Uani 1 1 d . . . . .
C1 C -0.13792(16) 0.19802(8) 0.32448(7) 0.0187(3) Uani 1 1 d . . . . .
C2 C -0.09256(16) 0.14217(8) 0.29090(7) 0.0189(3) Uani 1 1 d . . . . .
C3 C -0.05031(17) 0.07781(9) 0.31955(8) 0.0221(3) Uani 1 1 d . . . . .
H3 H -0.021766 0.038548 0.298836 0.027 Uiso 1 1 calc R U . . .
C4 C -0.05086(18) 0.07233(10) 0.37882(8) 0.0259(4) Uani 1 1 d . . . . .
H4 H -0.022429 0.029317 0.397454 0.031 Uiso 1 1 calc R U . . .
C5 C -0.09341(19) 0.13039(10) 0.41080(8) 0.0257(4) Uani 1 1 d . . . . .
H5 H -0.091130 0.126133 0.450566 0.031 Uiso 1 1 calc R U . . .
C6 C -0.13933(17) 0.19477(9) 0.38360(7) 0.0211(3) Uani 1 1 d . . . . .
C7 C -0.1955(2) 0.26115(10) 0.41271(7) 0.0250(3) Uani 1 1 d . . . . .
C8 C -0.14603(18) 0.32832(9) 0.38233(8) 0.0234(3) Uani 1 1 d . . . . .
C9 C -0.1069(2) 0.39473(10) 0.40866(8) 0.0287(4) Uani 1 1 d . . . . .
H9 H -0.107217 0.400241 0.448217 0.034 Uiso 1 1 calc R U . . .
C10 C -0.06729(19) 0.45268(10) 0.37564(9) 0.0286(4) Uani 1 1 d . . . . .
H10 H -0.042702 0.496743 0.393510 0.034 Uiso 1 1 calc R U . . .
C11 C -0.06396(18) 0.44575(9) 0.31670(8) 0.0248(3) Uani 1 1 d . . . . .
H11 H -0.036848 0.484974 0.295552 0.030 Uiso 1 1 calc R U . . .
C12 C -0.10120(16) 0.38002(9) 0.28884(8) 0.0205(3) Uani 1 1 d . . . . .
C13 C -0.14355(16) 0.32401(9) 0.32321(7) 0.0197(3) Uani 1 1 d . . . . .
C14 C -0.1517(3) 0.26210(11) 0.47732(8) 0.0366(5) Uani 1 1 d . . . . .
H14A H -0.054873 0.263207 0.484050 0.055 Uiso 1 1 calc R U . . .
H14B H -0.184601 0.219128 0.494586 0.055 Uiso 1 1 calc R U . . .
H14C H -0.187925 0.304544 0.494052 0.055 Uiso 1 1 calc R U . . .
C15 C -0.3513(2) 0.25913(10) 0.40176(9) 0.0276(4) Uani 1 1 d . . . . .
H15A H -0.378730 0.258707 0.361035 0.041 Uiso 1 1 calc R U . . .
H15B H -0.387823 0.301427 0.418588 0.041 Uiso 1 1 calc R U . . .
H15C H -0.384032 0.216015 0.418867 0.041 Uiso 1 1 calc R U . . .
C16 C -0.01215(17) 0.07721(9) 0.18996(7) 0.0198(3) Uani 1 1 d . . . . .
C17 C 0.12523(18) 0.07201(11) 0.18598(9) 0.0303(4) Uani 1 1 d . . . . .
H17 H 0.180319 0.112346 0.194643 0.036 Uiso 1 1 calc R U . . .
C18 C 0.1817(2) 0.00726(12) 0.16922(10) 0.0390(5) Uani 1 1 d . . . . .
H18 H 0.274228 0.004403 0.167315 0.047 Uiso 1 1 calc R U . . .
C19 C 0.1011(2) -0.05293(11) 0.15535(9) 0.0339(4) Uani 1 1 d . . . . .
H19 H 0.139036 -0.096379 0.144436 0.041 Uiso 1 1 calc R U . . .
C20 C -0.0365(2) -0.04770(11) 0.15790(10) 0.0348(5) Uani 1 1 d . . . . .
H20 H -0.091703 -0.087623 0.147834 0.042 Uiso 1 1 calc R U . . .
C21 C -0.09312(19) 0.01659(10) 0.17534(9) 0.0302(4) Uani 1 1 d . . . . .
H21 H -0.185691 0.019234 0.177295 0.036 Uiso 1 1 calc R U . . .
C22 C -0.25846(16) 0.15788(9) 0.18392(7) 0.0193(3) Uani 1 1 d . . . . .
C23 C -0.28783(19) 0.16306(11) 0.12432(8) 0.0294(4) Uani 1 1 d . . . . .
H23 H -0.217944 0.169349 0.101538 0.035 Uiso 1 1 calc R U . . .
C24 C -0.4202(2) 0.15894(11) 0.09848(9) 0.0346(5) Uani 1 1 d . . . . .
H24 H -0.438094 0.161448 0.058591 0.042 Uiso 1 1 calc R U . . .
C25 C -0.52549(19) 0.15112(10) 0.13191(9) 0.0312(4) Uani 1 1 d . . . . .
H25 H -0.614232 0.149251 0.114687 0.037 Uiso 1 1 calc R U . . .
C26 C -0.49777(19) 0.14614(11) 0.19088(9) 0.0332(4) Uani 1 1 d . . . . .
H26 H -0.568214 0.140898 0.213501 0.040 Uiso 1 1 calc R U . . .
C27 C -0.36534(18) 0.14888(10) 0.21684(8) 0.0271(4) Uani 1 1 d . . . . .
H27 H -0.347954 0.144658 0.256660 0.032 Uiso 1 1 calc R U . . .
C28 C -0.25761(17) 0.36115(9) 0.17855(8) 0.0250(4) Uani 1 1 d . . . . .
C29 C -0.36909(19) 0.36977(12) 0.20812(11) 0.0386(5) Uani 1 1 d . . . . .
H29 H -0.358013 0.374988 0.247975 0.046 Uiso 1 1 calc R U . . .
C30 C -0.4983(2) 0.37063(14) 0.17811(14) 0.0566(8) Uani 1 1 d . . . . .
H30 H -0.572999 0.375258 0.198361 0.068 Uiso 1 1 calc R U . . .
C31 C -0.5169(3) 0.36475(13) 0.11922(14) 0.0577(8) Uani 1 1 d . . . . .
H31 H -0.603411 0.366165 0.099604 0.069 Uiso 1 1 calc R U . . .
C32 C -0.4063(3) 0.35673(13) 0.08946(13) 0.0546(7) Uani 1 1 d . . . . .
H32 H -0.418026 0.353344 0.049487 0.066 Uiso 1 1 calc R U . . .
C33 C -0.2778(2) 0.35368(12) 0.11863(10) 0.0406(5) Uani 1 1 d . . . . .
H33 H -0.203993 0.346582 0.098189 0.049 Uiso 1 1 calc R U . . .
C34 C -0.01583(18) 0.44442(9) 0.18892(8) 0.0227(3) Uani 1 1 d . . . . .
C35 C -0.09843(19) 0.50255(9) 0.16940(8) 0.0261(4) Uani 1 1 d . . . . .
H35 H -0.191759 0.497865 0.167460 0.031 Uiso 1 1 calc R U . . .
C36 C -0.0423(2) 0.56769(10) 0.15276(9) 0.0320(4) Uani 1 1 d . . . . .
H36 H -0.098380 0.606000 0.139338 0.038 Uiso 1 1 calc R U . . .
C37 C 0.0961(2) 0.57561(11) 0.15612(9) 0.0349(5) Uani 1 1 d . . . . .
H37 H 0.133315 0.619378 0.145503 0.042 Uiso 1 1 calc R U . . .
C38 C 0.1791(2) 0.51816(12) 0.17534(10) 0.0402(5) Uani 1 1 d . . . . .
H38 H 0.272413 0.523266 0.177546 0.048 Uiso 1 1 calc R U . . .
C39 C 0.1233(2) 0.45264(11) 0.19140(10) 0.0332(4) Uani 1 1 d . . . . .
H39 H 0.179664 0.414069 0.203889 0.040 Uiso 1 1 calc R U . . .
C40 C 0.1438(2) 0.26553(11) 0.14685(10) 0.0340(4) Uani 1 1 d . . . . .
C41 C 0.1442(2) 0.26138(11) 0.26279(10) 0.0328(4) Uani 1 1 d . . . . .
C1S C 0.1960(5) -0.0854(3) 0.0102(2) 0.0590(10) Uani 0.65 1 d D U P A 1
H1S H 0.244240 -0.040297 0.016278 0.071 Uiso 0.3 1 d R U P A 1
C2S C 0.2463(5) -0.1464(3) 0.0340(3) 0.0493(10) Uani 0.65 1 d D U P A 1
H2S H 0.327672 -0.145895 0.057822 0.059 Uiso 0.65 1 calc R U P A 1
C3S C 0.1765(4) -0.2108(3) 0.02323(19) 0.0502(9) Uani 0.65 1 d D U P A 1
H3S H 0.212870 -0.254819 0.041020 0.060 Uiso 0.35 1 d R U P A 1
C4S C 0.0564(5) -0.2148(3) -0.0119(2) 0.0567(10) Uani 0.65 1 d D U P A 1
H4S H 0.014148 -0.259449 -0.019763 0.068 Uiso 0.65 1 calc R U P A 1
C5S C -0.0004(5) -0.1514(3) -0.03537(19) 0.0618(10) Uani 0.65 1 d D U P A 1
H5S H -0.083619 -0.152784 -0.057753 0.074 Uiso 0.65 1 calc R U P A 1
C6S C 0.0646(9) -0.0880(4) -0.0258(6) 0.0557(10) Uani 0.65 1 d D U P A 1
H6S H 0.026736 -0.045381 -0.042007 0.067 Uiso 0.65 1 calc R U P A 1
C7S C 0.2649(7) -0.0142(3) 0.0159(3) 0.0450(15) Uani 0.35 1 d D U P A 1
H7SA H 0.210613 0.021821 -0.005633 0.068 Uiso 0.35 1 calc R U P A 1
H7SB H 0.350897 -0.017782 0.001170 0.068 Uiso 0.35 1 calc R U P A 1
H7SC H 0.278231 -0.000423 0.055724 0.068 Uiso 0.35 1 calc R U P A 1
C7S' C 0.2321(12) -0.2802(5) 0.0485(6) 0.057(2) Uani 0.3 1 d D U P A 1
H7SD H 0.159873 -0.314346 0.050616 0.086 Uiso 0.3 1 calc R U P A 1
H7SE H 0.276489 -0.271224 0.086428 0.086 Uiso 0.3 1 calc R U P A 1
H7SF H 0.295741 -0.299804 0.024638 0.086 Uiso 0.3 1 calc R U P A 1
C1S" C 0.1481(11) -0.1417(5) 0.0094(5) 0.0626(14) Uani 0.25 1 d D U P B 2
C2S" C 0.0563(13) -0.1861(6) -0.0163(7) 0.0551(18) Uani 0.25 1 d D U P B 2
H2S" H -0.018211 -0.167375 -0.039148 0.066 Uiso 0.25 1 calc R U P B 2
C3S" C 0.0710(10) -0.2606(5) -0.0093(4) 0.0585(18) Uani 0.25 1 d D U P B 2
H3S" H 0.009650 -0.291333 -0.030238 0.070 Uiso 0.25 1 calc R U P B 2
C4S" C 0.1728(11) -0.2908(6) 0.0276(5) 0.0564(19) Uani 0.25 1 d D U P B 2
H4S" H 0.178894 -0.340981 0.032552 0.068 Uiso 0.25 1 calc R U P B 2
C5S" C 0.2662(11) -0.2449(6) 0.0572(5) 0.0606(19) Uani 0.25 1 d D U P B 2
H5S" H 0.334611 -0.264287 0.083122 0.073 Uiso 0.25 1 calc R U P B 2
C6S" C 0.2589(11) -0.1727(6) 0.0489(5) 0.0605(18) Uani 0.25 1 d D U P B 2
H6S" H 0.323792 -0.142282 0.067971 0.073 Uiso 0.25 1 calc R U P B 2
C7S" C 0.1520(17) -0.0629(5) -0.0044(7) 0.068(3) Uani 0.25 1 d D U P B 2
H7SG H 0.234948 -0.042213 0.013340 0.102 Uiso 0.25 1 calc R U P B 2
H7SH H 0.077057 -0.038732 0.009877 0.102 Uiso 0.25 1 calc R U P B 2
H7SI H 0.146571 -0.056614 -0.045421 0.102 Uiso 0.25 1 calc R U P B 2
C1X C 0.182(2) -0.1844(10) 0.0291(13) 0.0556(17) Uani 0.1 1 d D U P C 3
C2X C 0.283(3) -0.1381(14) 0.0409(17) 0.053(2) Uani 0.1 1 d D U P C 3
H2X H 0.362740 -0.153373 0.062058 0.064 Uiso 0.1 1 calc R U P C 3
C3X C 0.270(2) -0.0669(11) 0.0217(10) 0.048(2) Uani 0.1 1 d D U P C 3
H3X H 0.337177 -0.033588 0.034067 0.057 Uiso 0.1 1 calc R U P C 3
C4X C 0.161(3) -0.0436(11) -0.0151(12) 0.054(2) Uani 0.1 1 d D U P C 3
H4X H 0.158426 0.003135 -0.030623 0.064 Uiso 0.1 1 calc R U P C 3
C5X C 0.055(5) -0.091(2) -0.028(4) 0.057(2) Uani 0.1 1 d D U P C 3
H5X H -0.023428 -0.075483 -0.050443 0.068 Uiso 0.1 1 calc R U P C 3
C6X C 0.064(2) -0.1603(13) -0.0097(13) 0.0538(18) Uani 0.1 1 d D U P C 3
H6X H -0.005140 -0.193134 -0.021189 0.065 Uiso 0.1 1 calc R U P C 3
C7X C 0.190(3) -0.2626(11) 0.0445(16) 0.053(3) Uani 0.1 1 d D U P C 3
H7XA H 0.105363 -0.285722 0.031804 0.079 Uiso 0.1 1 calc R U P C 3
H7XB H 0.260626 -0.285333 0.026137 0.079 Uiso 0.1 1 calc R U P C 3
H7XC H 0.208850 -0.267556 0.085514 0.079 Uiso 0.1 1 calc R U P C 3
C1T C -0.2238(6) 0.0000(4) 0.5100(5) 0.0627(19) Uani 0.5 1 d D U P D -1
H1TA H -0.146773 0.026838 0.526927 0.094 Uiso 0.5 1 calc R U P D -1
H1TB H -0.213572 -0.010528 0.470424 0.094 Uiso 0.5 1 calc R U P D -1
H1TC H -0.230889 -0.044874 0.530600 0.094 Uiso 0.5 1 calc R U P D -1
C2T C -0.3511(5) 0.0450(3) 0.5130(3) 0.0553(13) Uani 0.5 1 d D U P D -1
H2TA H -0.351823 0.086041 0.486784 0.066 Uiso 0.5 1 calc R U P D -1
H2TB H -0.352775 0.063839 0.551732 0.066 Uiso 0.5 1 calc R U P D -1
C3T C -0.4756(5) -0.0029(5) 0.4966(5) 0.0558(16) Uani 0.5 1 d D U P D -1
H3TA H -0.475445 -0.019595 0.457211 0.067 Uiso 0.5 1 calc R U P D -1
H3TB H -0.471131 -0.045431 0.521424 0.067 Uiso 0.5 1 calc R U P D -1
C4T C -0.6049(6) 0.0380(4) 0.5022(3) 0.0810(18) Uani 0.5 1 d D U P D -1
H4TA H -0.611252 0.080157 0.476941 0.097 Uiso 0.5 1 calc R U P D -1
H4TB H -0.606351 0.054730 0.541468 0.097 Uiso 0.5 1 calc R U P D -1
C5T C -0.7258(7) -0.0145(6) 0.4852(5) 0.096(3) Uani 0.5 1 d D U P D -1
H5TA H -0.806877 0.006234 0.496848 0.144 Uiso 0.5 1 calc R U P D -1
H5TB H -0.708442 -0.060607 0.504054 0.144 Uiso 0.5 1 calc R U P D -1
H5TC H -0.736588 -0.021592 0.444203 0.144 Uiso 0.5 1 calc R U P D -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C40 1.726(2) . ?
Co1 C41 1.750(2) . ?
Co1 P2 2.1899(5) . ?
Co1 P1 2.1927(5) . ?
P1 C16 1.8307(16) . ?
P1 C22 1.8311(16) . ?
P1 C2 1.8341(17) . ?
P2 C28 1.8287(18) . ?
P2 C12 1.8337(18) . ?
P2 C34 1.8343(17) . ?
O1 C13 1.3818(19) . ?
O1 C1 1.3848(19) . ?
O2 C40 1.156(3) . ?
O3 C41 1.151(3) . ?
C1 C6 1.384(2) . ?
C1 C2 1.396(2) . ?
C2 C3 1.399(2) . ?
C3 C4 1.389(3) . ?
C4 C5 1.394(3) . ?
C5 C6 1.394(2) . ?
C6 C7 1.532(2) . ?
C7 C14 1.524(3) . ?
C7 C8 1.531(2) . ?
C7 C15 1.545(3) . ?
C8 C13 1.386(2) . ?
C8 C9 1.401(2) . ?
C9 C10 1.396(3) . ?
C10 C11 1.387(3) . ?
C11 C12 1.401(2) . ?
C12 C13 1.398(2) . ?
C16 C17 1.386(2) . ?
C16 C21 1.394(2) . ?
C17 C18 1.390(3) . ?
C18 C19 1.382(3) . ?
C19 C20 1.383(3) . ?
C20 C21 1.388(3) . ?
C22 C27 1.392(2) . ?
C22 C23 1.393(3) . ?
C23 C24 1.389(3) . ?
C24 C25 1.384(3) . ?
C25 C26 1.377(3) . ?
C26 C27 1.390(3) . ?
C28 C29 1.382(3) . ?
C28 C33 1.398(3) . ?
C29 C30 1.395(3) . ?
C30 C31 1.372(4) . ?
C31 C32 1.376(4) . ?
C32 C33 1.382(3) . ?
C34 C39 1.389(3) . ?
C34 C35 1.392(2) . ?
C35 C36 1.393(3) . ?
C36 C37 1.380(3) . ?
C37 C38 1.384(3) . ?
C38 C39 1.394(3) . ?
C1S C2S 1.324(7) . ?
C1S C6S 1.475(7) . ?
C1S C7S 1.475(7) . ?
C2S C3S 1.380(7) . ?
C3S C4S 1.375(6) . ?
C3S C7S' 1.483(8) . ?
C4S C5S 1.379(7) . ?
C5S C6S 1.338(7) . ?
C1S" C2S" 1.318(8) . ?
C1S" C6S" 1.471(8) . ?
C1S" C7S" 1.484(8) . ?
C2S" C3S" 1.382(8) . ?
C3S" C4S" 1.372(7) . ?
C4S" C5S" 1.381(8) . ?
C5S" C6S" 1.339(8) . ?
C1X C2X 1.321(8) . ?
C1X C6X 1.472(8) . ?
C1X C7X 1.480(8) . ?
C2X C3X 1.382(8) . ?
C3X C4X 1.377(8) . ?
C4X C5X 1.381(8) . ?
C5X C6X 1.339(8) . ?
C1T C2T 1.523(7) . ?
C2T C3T 1.534(7) . ?
C3T C4T 1.509(7) . ?
C4T C5T 1.559(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C40 Co1 C41 102.41(11) . . ?
C40 Co1 P2 117.45(7) . . ?
C41 Co1 P2 99.19(7) . . ?
C40 Co1 P1 123.08(7) . . ?
C41 Co1 P1 98.77(7) . . ?
P2 Co1 P1 110.196(18) . . ?
C16 P1 C22 102.52(8) . . ?
C16 P1 C2 101.45(7) . . ?
C22 P1 C2 102.16(7) . . ?
C16 P1 Co1 115.24(6) . . ?
C22 P1 Co1 118.25(5) . . ?
C2 P1 Co1 114.90(5) . . ?
C28 P2 C12 103.60(8) . . ?
C28 P2 C34 101.68(8) . . ?
C12 P2 C34 101.04(8) . . ?
C28 P2 Co1 116.87(6) . . ?
C12 P2 Co1 115.80(6) . . ?
C34 P2 Co1 115.58(6) . . ?
C13 O1 C1 113.41(12) . . ?
C6 C1 O1 119.65(14) . . ?
C6 C1 C2 124.70(15) . . ?
O1 C1 C2 115.65(14) . . ?
C1 C2 C3 116.74(15) . . ?
C1 C2 P1 117.04(12) . . ?
C3 C2 P1 126.04(13) . . ?
C4 C3 C2 120.22(16) . . ?
C3 C4 C5 120.96(16) . . ?
C6 C5 C4 120.49(17) . . ?
C1 C6 C5 116.85(16) . . ?
C1 C6 C7 117.00(15) . . ?
C5 C6 C7 126.11(16) . . ?
C14 C7 C8 112.24(15) . . ?
C14 C7 C6 111.74(16) . . ?
C8 C7 C6 106.34(14) . . ?
C14 C7 C15 109.58(16) . . ?
C8 C7 C15 108.22(15) . . ?
C6 C7 C15 108.56(14) . . ?
C13 C8 C9 116.85(16) . . ?
C13 C8 C7 117.29(15) . . ?
C9 C8 C7 125.82(16) . . ?
C10 C9 C8 120.14(17) . . ?
C11 C10 C9 121.23(17) . . ?
C10 C11 C12 120.36(16) . . ?
C13 C12 C11 116.58(16) . . ?
C13 C12 P2 117.40(12) . . ?
C11 C12 P2 125.74(13) . . ?
O1 C13 C8 119.30(14) . . ?
O1 C13 C12 115.91(15) . . ?
C8 C13 C12 124.78(15) . . ?
C17 C16 C21 118.54(16) . . ?
C17 C16 P1 119.36(13) . . ?
C21 C16 P1 122.10(13) . . ?
C16 C17 C18 120.78(18) . . ?
C19 C18 C17 120.45(19) . . ?
C18 C19 C20 119.14(17) . . ?
C19 C20 C21 120.60(19) . . ?
C20 C21 C16 120.46(17) . . ?
C27 C22 C23 118.19(16) . . ?
C27 C22 P1 123.51(14) . . ?
C23 C22 P1 118.30(13) . . ?
C24 C23 C22 120.84(18) . . ?
C25 C24 C23 120.23(19) . . ?
C26 C25 C24 119.45(18) . . ?
C25 C26 C27 120.52(18) . . ?
C26 C27 C22 120.74(18) . . ?
C29 C28 C33 118.59(19) . . ?
C29 C28 P2 123.69(16) . . ?
C33 C28 P2 117.72(15) . . ?
C28 C29 C30 119.9(2) . . ?
C31 C30 C29 121.1(3) . . ?
C30 C31 C32 119.3(2) . . ?
C31 C32 C33 120.4(3) . . ?
C32 C33 C28 120.7(2) . . ?
C39 C34 C35 118.74(16) . . ?
C39 C34 P2 118.86(13) . . ?
C35 C34 P2 122.37(13) . . ?
C34 C35 C36 120.50(18) . . ?
C37 C36 C35 120.28(18) . . ?
C36 C37 C38 119.71(18) . . ?
C37 C38 C39 120.14(19) . . ?
C34 C39 C38 120.61(19) . . ?
O2 C40 Co1 176.6(2) . . ?
O3 C41 Co1 179.5(2) . . ?
C2S C1S C6S 118.9(5) . . ?
C2S C1S C7S 124.1(5) . . ?
C6S C1S C7S 117.1(5) . . ?
C1S C2S C3S 119.2(5) . . ?
C4S C3S C2S 122.8(5) . . ?
C4S C3S C7S' 116.9(7) . . ?
C2S C3S C7S' 120.3(6) . . ?
C3S C4S C5S 118.9(5) . . ?
C6S C5S C4S 119.9(5) . . ?
C5S C6S C1S 120.3(5) . . ?
C2S" C1S" C6S" 118.7(7) . . ?
C2S" C1S" C7S" 122.5(7) . . ?
C6S" C1S" C7S" 118.5(8) . . ?
C1S" C2S" C3S" 119.9(7) . . ?
C4S" C3S" C2S" 122.3(7) . . ?
C3S" C4S" C5S" 118.5(7) . . ?
C6S" C5S" C4S" 120.5(7) . . ?
C5S" C6S" C1S" 119.9(7) . . ?
C2X C1X C6X 118.3(7) . . ?
C2X C1X C7X 123.7(9) . . ?
C6X C1X C7X 117.2(9) . . ?
C1X C2X C3X 119.8(8) . . ?
C4X C3X C2X 122.5(8) . . ?
C3X C4X C5X 118.3(8) . . ?
C6X C5X C4X 120.3(9) . . ?
C5X C6X C1X 120.3(8) . . ?
C1T C2T C3T 109.3(5) . . ?
C4T C3T C2T 111.6(6) . . ?
C3T C4T C5T 108.3(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 O1 C1 C6 40.8(2) . . . . ?
C13 O1 C1 C2 -139.04(15) . . . . ?
C6 C1 C2 C3 2.3(3) . . . . ?
O1 C1 C2 C3 -177.83(14) . . . . ?
C6 C1 C2 P1 -173.00(13) . . . . ?
O1 C1 C2 P1 6.84(19) . . . . ?
C16 P1 C2 C1 177.58(13) . . . . ?
C22 P1 C2 C1 -76.76(14) . . . . ?
Co1 P1 C2 C1 52.58(14) . . . . ?
C16 P1 C2 C3 2.74(16) . . . . ?
C22 P1 C2 C3 108.40(15) . . . . ?
Co1 P1 C2 C3 -122.27(14) . . . . ?
C1 C2 C3 C4 -1.9(2) . . . . ?
P1 C2 C3 C4 172.96(13) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C3 C4 C5 C6 1.5(3) . . . . ?
O1 C1 C6 C5 179.32(15) . . . . ?
C2 C1 C6 C5 -0.8(3) . . . . ?
O1 C1 C6 C7 1.3(2) . . . . ?
C2 C1 C6 C7 -178.85(16) . . . . ?
C4 C5 C6 C1 -1.1(3) . . . . ?
C4 C5 C6 C7 176.71(17) . . . . ?
C1 C6 C7 C14 -161.75(16) . . . . ?
C5 C6 C7 C14 20.4(3) . . . . ?
C1 C6 C7 C8 -39.0(2) . . . . ?
C5 C6 C7 C8 143.24(18) . . . . ?
C1 C6 C7 C15 77.29(19) . . . . ?
C5 C6 C7 C15 -100.5(2) . . . . ?
C14 C7 C8 C13 161.22(17) . . . . ?
C6 C7 C8 C13 38.7(2) . . . . ?
C15 C7 C8 C13 -77.73(19) . . . . ?
C14 C7 C8 C9 -20.9(3) . . . . ?
C6 C7 C8 C9 -143.38(18) . . . . ?
C15 C7 C8 C9 100.1(2) . . . . ?
C13 C8 C9 C10 -0.2(3) . . . . ?
C7 C8 C9 C10 -178.11(18) . . . . ?
C8 C9 C10 C11 -0.9(3) . . . . ?
C9 C10 C11 C12 0.3(3) . . . . ?
C10 C11 C12 C13 1.3(3) . . . . ?
C10 C11 C12 P2 -172.46(14) . . . . ?
C28 P2 C12 C13 79.03(14) . . . . ?
C34 P2 C12 C13 -175.94(13) . . . . ?
Co1 P2 C12 C13 -50.28(14) . . . . ?
C28 P2 C12 C11 -107.23(16) . . . . ?
C34 P2 C12 C11 -2.20(17) . . . . ?
Co1 P2 C12 C11 123.46(14) . . . . ?
C1 O1 C13 C8 -41.0(2) . . . . ?
C1 O1 C13 C12 138.22(15) . . . . ?
C9 C8 C13 O1 -178.79(16) . . . . ?
C7 C8 C13 O1 -0.7(2) . . . . ?
C9 C8 C13 C12 2.0(3) . . . . ?
C7 C8 C13 C12 -179.90(16) . . . . ?
C11 C12 C13 O1 178.22(14) . . . . ?
P2 C12 C13 O1 -7.5(2) . . . . ?
C11 C12 C13 C8 -2.6(3) . . . . ?
P2 C12 C13 C8 171.73(14) . . . . ?
C22 P1 C16 C17 156.42(15) . . . . ?
C2 P1 C16 C17 -98.21(16) . . . . ?
Co1 P1 C16 C17 26.57(17) . . . . ?
C22 P1 C16 C21 -24.18(17) . . . . ?
C2 P1 C16 C21 81.20(17) . . . . ?
Co1 P1 C16 C21 -154.03(14) . . . . ?
C21 C16 C17 C18 -1.6(3) . . . . ?
P1 C16 C17 C18 177.81(17) . . . . ?
C16 C17 C18 C19 1.0(3) . . . . ?
C17 C18 C19 C20 0.5(3) . . . . ?
C18 C19 C20 C21 -1.4(3) . . . . ?
C19 C20 C21 C16 0.7(3) . . . . ?
C17 C16 C21 C20 0.8(3) . . . . ?
P1 C16 C21 C20 -178.63(16) . . . . ?
C16 P1 C22 C27 111.06(15) . . . . ?
C2 P1 C22 C27 6.23(16) . . . . ?
Co1 P1 C22 C27 -120.98(14) . . . . ?
C16 P1 C22 C23 -68.44(15) . . . . ?
C2 P1 C22 C23 -173.27(14) . . . . ?
Co1 P1 C22 C23 59.53(15) . . . . ?
C27 C22 C23 C24 -0.4(3) . . . . ?
P1 C22 C23 C24 179.17(15) . . . . ?
C22 C23 C24 C25 1.4(3) . . . . ?
C23 C24 C25 C26 -1.2(3) . . . . ?
C24 C25 C26 C27 0.0(3) . . . . ?
C25 C26 C27 C22 1.0(3) . . . . ?
C23 C22 C27 C26 -0.8(3) . . . . ?
P1 C22 C27 C26 179.66(15) . . . . ?
C12 P2 C28 C29 -6.40(18) . . . . ?
C34 P2 C28 C29 -110.95(17) . . . . ?
Co1 P2 C28 C29 122.25(15) . . . . ?
C12 P2 C28 C33 173.95(15) . . . . ?
C34 P2 C28 C33 69.40(16) . . . . ?
Co1 P2 C28 C33 -57.40(16) . . . . ?
C33 C28 C29 C30 0.2(3) . . . . ?
P2 C28 C29 C30 -179.45(16) . . . . ?
C28 C29 C30 C31 -1.5(3) . . . . ?
C29 C30 C31 C32 1.0(4) . . . . ?
C30 C31 C32 C33 0.8(4) . . . . ?
C31 C32 C33 C28 -2.2(4) . . . . ?
C29 C28 C33 C32 1.6(3) . . . . ?
P2 C28 C33 C32 -178.69(17) . . . . ?
C28 P2 C34 C39 -160.42(16) . . . . ?
C12 P2 C34 C39 93.02(17) . . . . ?
Co1 P2 C34 C39 -32.79(18) . . . . ?
C28 P2 C34 C35 21.36(18) . . . . ?
C12 P2 C34 C35 -85.19(16) . . . . ?
Co1 P2 C34 C35 149.00(14) . . . . ?
C39 C34 C35 C36 -0.1(3) . . . . ?
P2 C34 C35 C36 178.15(15) . . . . ?
C34 C35 C36 C37 -0.8(3) . . . . ?
C35 C36 C37 C38 0.9(3) . . . . ?
C36 C37 C38 C39 -0.2(3) . . . . ?
C35 C34 C39 C38 0.8(3) . . . . ?
P2 C34 C39 C38 -177.48(17) . . . . ?
C37 C38 C39 C34 -0.7(4) . . . . ?
C6S C1S C2S C3S 1.9(11) . . . . ?
C7S C1S C2S C3S -176.4(6) . . . . ?
C1S C2S C3S C4S 0.5(9) . . . . ?
C1S C2S C3S C7S' 178.7(8) . . . . ?
C2S C3S C4S C5S -3.1(8) . . . . ?
C7S' C3S C4S C5S 178.7(7) . . . . ?
C3S C4S C5S C6S 3.0(11) . . . . ?
C4S C5S C6S C1S -0.7(17) . . . . ?
C2S C1S C6S C5S -1.8(17) . . . . ?
C7S C1S C6S C5S 176.5(10) . . . . ?
C6S" C1S" C2S" C3S" -5(2) . . . . ?
C7S" C1S" C2S" C3S" 168.7(15) . . . . ?
C1S" C2S" C3S" C4S" 5(2) . . . . ?
C2S" C3S" C4S" C5S" -2(2) . . . . ?
C3S" C4S" C5S" C6S" -1.6(19) . . . . ?
C4S" C5S" C6S" C1S" 2(2) . . . . ?
C2S" C1S" C6S" C5S" 1(2) . . . . ?
C7S" C1S" C6S" C5S" -172.6(14) . . . . ?
C6X C1X C2X C3X 6(6) . . . . ?
C7X C1X C2X C3X 176(3) . . . . ?
C1X C2X C3X C4X -7(6) . . . . ?
C2X C3X C4X C5X 7(7) . . . . ?
C3X C4X C5X C6X -6(11) . . . . ?
C4X C5X C6X C1X 5(12) . . . . ?
C2X C1X C6X C5X -5(7) . . . . ?
C7X C1X C6X C5X -176(6) . . . . ?
C1T C2T C3T C4T 176.8(7) . . . . ?
C2T C3T C4T C5T -179.6(8) . . . . ?

_refine_diff_density_max         0.986
_refine_diff_density_min         -0.643
_refine_diff_density_rms         0.075

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex_C2
_audit_block_doi                 10.5517/ccdc.csd.cc28kfny
_database_code_depnum_ccdc_archive 'CCDC 2102130'
loop_
_audit_author_name
_audit_author_address
'Jordi Benet-Buchholz'
;ICIQ
Spain
;
_audit_update_record             
;
2021-08-08 deposited with the CCDC.	2022-03-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C45 H32 Co2 O7 P2'
_chemical_formula_sum            'C45 H32 Co2 O7 P2'
_chemical_formula_weight         864.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.8578(8)
_cell_length_b                   11.6947(9)
_cell_length_c                   17.4282(13)
_cell_angle_alpha                106.744(3)
_cell_angle_beta                 95.840(3)
_cell_angle_gamma                112.496(3)
_cell_volume                     1900.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9892
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      30.52

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_F_000             884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.348
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    1.011
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6883
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microfocus
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            63484
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.514
_diffrn_reflns_theta_max         30.548
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11551
_reflns_number_gt                10051
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0327P)²+1.4554P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11551
_refine_ls_number_parameters     507
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0782
_refine_ls_wR_factor_gt          0.0719
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.25477(2) 0.46613(2) 0.27022(2) 0.01169(4) Uani 1 1 d . . . . .
Co2 Co 0.01446(2) 0.38233(2) 0.28978(2) 0.01465(5) Uani 1 1 d . . . . .
P1 P 0.36978(3) 0.67642(3) 0.36846(2) 0.01179(7) Uani 1 1 d . . . . .
P2 P 0.35294(4) 0.47464(3) 0.16259(2) 0.01243(7) Uani 1 1 d . . . . .
O1 O 0.37790(10) 0.73859(10) 0.22121(6) 0.01342(18) Uani 1 1 d . . . . .
O2 O 0.09461(13) 0.17825(11) 0.20133(8) 0.0277(3) Uani 1 1 d . . . . .
O3 O -0.03413(15) 0.21394(14) 0.39145(9) 0.0375(3) Uani 1 1 d . . . . .
O4 O -0.24167(12) 0.25134(13) 0.16091(8) 0.0287(3) Uani 1 1 d . . . . .
O5 O 0.07882(11) 0.56904(11) 0.20166(7) 0.0186(2) Uani 1 1 d . . . . .
O6 O 0.39789(13) 0.35952(14) 0.36116(9) 0.0307(3) Uani 1 1 d . . . . .
O7 O 0.01581(12) 0.61505(12) 0.41613(7) 0.0257(2) Uani 1 1 d . . . . .
C1 C 0.32052(14) 0.80073(13) 0.34823(8) 0.0134(2) Uani 1 1 d . . . . .
C2 C 0.26175(14) 0.87121(14) 0.39901(9) 0.0153(2) Uani 1 1 d . . . . .
H2 H 0.256572 0.865667 0.452003 0.018 Uiso 1 1 calc R U . . .
C3 C 0.21092(15) 0.94933(14) 0.37200(9) 0.0174(3) Uani 1 1 d . . . . .
H3 H 0.173956 0.998864 0.407569 0.021 Uiso 1 1 calc R U . . .
C4 C 0.21354(15) 0.95579(14) 0.29380(9) 0.0169(3) Uani 1 1 d . . . . .
H4 H 0.177378 1.008828 0.276317 0.020 Uiso 1 1 calc R U . . .
C5 C 0.26865(15) 0.88530(14) 0.24063(9) 0.0150(2) Uani 1 1 d . . . . .
C6 C 0.32233(14) 0.81161(13) 0.27071(8) 0.0130(2) Uani 1 1 d . . . . .
C7 C 0.27490(16) 0.88509(15) 0.15332(9) 0.0177(3) Uani 1 1 d . . . . .
C8 C 0.25920(15) 0.74869(14) 0.10085(8) 0.0149(2) Uani 1 1 d . . . . .
C9 C 0.19630(17) 0.68505(16) 0.01667(9) 0.0199(3) Uani 1 1 d . . . . .
H9 H 0.158726 0.727146 -0.011522 0.024 Uiso 1 1 calc R U . . .
C10 C 0.18782(17) 0.56079(16) -0.02658(9) 0.0219(3) Uani 1 1 d . . . . .
H10 H 0.147050 0.520316 -0.084152 0.026 Uiso 1 1 calc R U . . .
C11 C 0.23854(16) 0.49544(15) 0.01384(9) 0.0184(3) Uani 1 1 d . . . . .
H11 H 0.231541 0.410397 -0.016138 0.022 Uiso 1 1 calc R U . . .
C12 C 0.29972(14) 0.55454(14) 0.09834(8) 0.0142(2) Uani 1 1 d . . . . .
C13 C 0.31091(14) 0.68104(14) 0.13821(8) 0.0134(2) Uani 1 1 d . . . . .
C14 C 0.4165(2) 0.99122(16) 0.15643(10) 0.0269(3) Uani 1 1 d . . . . .
H14A H 0.421466 0.991407 0.100623 0.040 Uiso 1 1 calc R U . . .
H14B H 0.489148 0.970951 0.178565 0.040 Uiso 1 1 calc R U . . .
H14C H 0.428745 1.078545 0.192056 0.040 Uiso 1 1 calc R U . . .
C15 C 0.1617(2) 0.91563(19) 0.11706(10) 0.0301(4) Uani 1 1 d . . . . .
H15A H 0.165894 0.912204 0.060579 0.045 Uiso 1 1 calc R U . . .
H15B H 0.174826 1.004247 0.150954 0.045 Uiso 1 1 calc R U . . .
H15C H 0.071899 0.849964 0.116436 0.045 Uiso 1 1 calc R U . . .
C16 C 0.35256(14) 0.69284(14) 0.47422(8) 0.0139(2) Uani 1 1 d . . . . .
C17 C 0.41948(15) 0.81753(15) 0.53709(9) 0.0172(3) Uani 1 1 d . . . . .
H17 H 0.467209 0.893467 0.523746 0.021 Uiso 1 1 calc R U . . .
C18 C 0.41689(16) 0.83145(16) 0.61858(9) 0.0201(3) Uani 1 1 d . . . . .
H18 H 0.459772 0.916872 0.660486 0.024 Uiso 1 1 calc R U . . .
C19 C 0.35139(15) 0.72012(16) 0.63882(9) 0.0196(3) Uani 1 1 d . . . . .
H19 H 0.349798 0.729331 0.694631 0.024 Uiso 1 1 calc R U . . .
C20 C 0.28854(15) 0.59592(16) 0.57765(9) 0.0188(3) Uani 1 1 d . . . . .
H20 H 0.245662 0.519787 0.591774 0.023 Uiso 1 1 calc R U . . .
C21 C 0.28777(14) 0.58182(14) 0.49534(9) 0.0156(2) Uani 1 1 d . . . . .
H21 H 0.242983 0.496357 0.453542 0.019 Uiso 1 1 calc R U . . .
C22 C 0.55827(14) 0.74918(14) 0.39212(8) 0.0141(2) Uani 1 1 d . . . . .
C23 C 0.63929(15) 0.84719(15) 0.36516(9) 0.0185(3) Uani 1 1 d . . . . .
H23 H 0.597487 0.880981 0.332412 0.022 Uiso 1 1 calc R U . . .
C24 C 0.78213(16) 0.89609(16) 0.38615(10) 0.0234(3) Uani 1 1 d . . . . .
H24 H 0.837122 0.963480 0.367865 0.028 Uiso 1 1 calc R U . . .
C25 C 0.84404(15) 0.84701(16) 0.43342(10) 0.0227(3) Uani 1 1 d . . . . .
H25 H 0.941160 0.879778 0.446883 0.027 Uiso 1 1 calc R U . . .
C26 C 0.76422(15) 0.75016(16) 0.46100(9) 0.0205(3) Uani 1 1 d . . . . .
H26 H 0.806712 0.717241 0.494057 0.025 Uiso 1 1 calc R U . . .
C27 C 0.62226(15) 0.70092(15) 0.44054(9) 0.0180(3) Uani 1 1 d . . . . .
H27 H 0.568009 0.634061 0.459449 0.022 Uiso 1 1 calc R U . . .
C28 C 0.32371(15) 0.31650(14) 0.08433(9) 0.0154(3) Uani 1 1 d . . . . .
C29 C 0.18888(16) 0.22153(15) 0.04475(9) 0.0195(3) Uani 1 1 d . . . . .
H29 H 0.114240 0.236676 0.061566 0.023 Uiso 1 1 calc R U . . .
C30 C 0.16308(18) 0.10522(15) -0.01895(10) 0.0229(3) Uani 1 1 d . . . . .
H30 H 0.071183 0.042571 -0.046372 0.027 Uiso 1 1 calc R U . . .
C31 C 0.2720(2) 0.08063(16) -0.04251(10) 0.0258(3) Uani 1 1 d . . . . .
H31 H 0.254487 0.000947 -0.085712 0.031 Uiso 1 1 calc R U . . .
C32 C 0.40542(19) 0.17239(17) -0.00290(10) 0.0255(3) Uani 1 1 d . . . . .
H32 H 0.479701 0.154978 -0.018338 0.031 Uiso 1 1 calc R U . . .
C33 C 0.43169(17) 0.29061(15) 0.05971(10) 0.0204(3) Uani 1 1 d . . . . .
H33 H 0.523820 0.353975 0.085779 0.024 Uiso 1 1 calc R U . . .
C34 C 0.54049(14) 0.56322(14) 0.18801(8) 0.0144(2) Uani 1 1 d . . . . .
C35 C 0.60938(15) 0.65944(15) 0.15606(9) 0.0175(3) Uani 1 1 d . . . . .
H35 H 0.558535 0.684421 0.121850 0.021 Uiso 1 1 calc R U . . .
C36 C 0.75258(16) 0.71950(16) 0.17391(10) 0.0205(3) Uani 1 1 d . . . . .
H36 H 0.798700 0.786849 0.153092 0.025 Uiso 1 1 calc R U . . .
C37 C 0.82777(16) 0.68130(16) 0.22186(10) 0.0213(3) Uani 1 1 d . . . . .
H37 H 0.925178 0.720730 0.232941 0.026 Uiso 1 1 calc R U . . .
C38 C 0.75956(16) 0.58486(16) 0.25360(9) 0.0206(3) Uani 1 1 d . . . . .
H38 H 0.810671 0.558089 0.286315 0.025 Uiso 1 1 calc R U . . .
C39 C 0.61719(15) 0.52732(15) 0.23786(9) 0.0178(3) Uani 1 1 d . . . . .
H39 H 0.571664 0.463207 0.261098 0.021 Uiso 1 1 calc R U . . .
C40 C 0.34837(15) 0.40530(15) 0.32595(9) 0.0185(3) Uani 1 1 d . . . . .
C41 C 0.11630(15) 0.28941(15) 0.23342(9) 0.0181(3) Uani 1 1 d . . . . .
C42 C -0.01406(16) 0.27998(16) 0.35292(10) 0.0225(3) Uani 1 1 d . . . . .
C43 C -0.14005(15) 0.30320(15) 0.20947(9) 0.0188(3) Uani 1 1 d . . . . .
C44 C 0.11558(14) 0.50965(14) 0.23485(9) 0.0149(2) Uani 1 1 d . . . . .
C45 C 0.01383(14) 0.52491(15) 0.36765(9) 0.0184(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C40 1.7980(15) . ?
Co1 C44 1.8716(14) . ?
Co1 C41 1.8987(15) . ?
Co1 P2 2.2578(4) . ?
Co1 P1 2.3082(4) . ?
Co1 Co2 2.5103(3) . ?
Co2 C43 1.7938(16) . ?
Co2 C42 1.8122(17) . ?
Co2 C45 1.8245(16) . ?
Co2 C41 1.9733(14) . ?
Co2 C44 2.0306(14) . ?
P1 C16 1.8337(14) . ?
P1 C1 1.8374(14) . ?
P1 C22 1.8374(14) . ?
P2 C12 1.8289(14) . ?
P2 C34 1.8313(14) . ?
P2 C28 1.8414(14) . ?
O1 C6 1.3831(15) . ?
O1 C13 1.3874(16) . ?
O2 C41 1.1740(18) . ?
O3 C42 1.138(2) . ?
O4 C43 1.1418(19) . ?
O5 C44 1.1717(17) . ?
O6 C40 1.1379(19) . ?
O7 C45 1.1364(19) . ?
C1 C6 1.3945(19) . ?
C1 C2 1.4024(18) . ?
C2 C3 1.3934(19) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.3952(19) . ?
C4 H4 0.9500 . ?
C5 C6 1.3928(18) . ?
C5 C7 1.5295(19) . ?
C7 C8 1.5263(19) . ?
C7 C15 1.532(2) . ?
C7 C14 1.547(2) . ?
C8 C13 1.3883(18) . ?
C8 C9 1.397(2) . ?
C9 C10 1.393(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.392(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.3969(19) . ?
C11 H11 0.9500 . ?
C12 C13 1.3925(18) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.3947(19) . ?
C16 C17 1.401(2) . ?
C17 C18 1.387(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(2) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.390(2) . ?
C22 C27 1.4031(19) . ?
C23 C24 1.397(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(2) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.396(2) . ?
C28 C29 1.400(2) . ?
C29 C30 1.391(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.393(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.396(2) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.392(2) . ?
C34 C39 1.3983(19) . ?
C35 C36 1.396(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.386(2) . ?
C36 H36 0.9500 . ?
C37 C38 1.389(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.389(2) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C40 Co1 C44 159.97(6) . . ?
C40 Co1 C41 83.69(7) . . ?
C44 Co1 C41 86.00(6) . . ?
C40 Co1 P2 102.55(5) . . ?
C44 Co1 P2 96.56(4) . . ?
C41 Co1 P2 103.78(5) . . ?
C40 Co1 P1 90.98(5) . . ?
C44 Co1 P1 89.80(4) . . ?
C41 Co1 P1 151.15(5) . . ?
P2 Co1 P1 105.059(15) . . ?
C40 Co1 Co2 107.88(5) . . ?
C44 Co1 Co2 52.80(4) . . ?
C41 Co1 Co2 50.89(4) . . ?
P2 Co1 Co2 136.242(13) . . ?
P1 Co1 Co2 105.083(13) . . ?
C43 Co2 C42 104.91(7) . . ?
C43 Co2 C45 109.61(7) . . ?
C42 Co2 C45 95.61(7) . . ?
C43 Co2 C41 97.97(6) . . ?
C42 Co2 C41 88.30(7) . . ?
C45 Co2 C41 149.99(6) . . ?
C43 Co2 C44 93.10(6) . . ?
C42 Co2 C44 159.72(6) . . ?
C45 Co2 C44 86.83(6) . . ?
C41 Co2 C44 79.90(6) . . ?
C43 Co2 Co1 125.84(5) . . ?
C42 Co2 Co1 112.99(5) . . ?
C45 Co2 Co1 103.75(5) . . ?
C41 Co2 Co1 48.30(4) . . ?
C44 Co2 Co1 47.23(4) . . ?
C16 P1 C1 103.49(6) . . ?
C16 P1 C22 96.81(6) . . ?
C1 P1 C22 106.48(6) . . ?
C16 P1 Co1 116.32(5) . . ?
C1 P1 Co1 114.86(5) . . ?
C22 P1 Co1 116.63(5) . . ?
C12 P2 C34 102.61(6) . . ?
C12 P2 C28 101.28(6) . . ?
C34 P2 C28 101.28(6) . . ?
C12 P2 Co1 115.33(5) . . ?
C34 P2 Co1 116.27(5) . . ?
C28 P2 Co1 117.65(5) . . ?
C6 O1 C13 114.75(10) . . ?
C6 C1 C2 116.73(12) . . ?
C6 C1 P1 117.22(10) . . ?
C2 C1 P1 125.32(11) . . ?
C3 C2 C1 120.23(13) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 120.93(13) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 120.76(13) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 116.67(13) . . ?
C6 C5 C7 118.73(12) . . ?
C4 C5 C7 124.60(12) . . ?
O1 C6 C5 119.84(12) . . ?
O1 C6 C1 115.48(11) . . ?
C5 C6 C1 124.64(12) . . ?
C8 C7 C5 107.58(11) . . ?
C8 C7 C15 110.82(13) . . ?
C5 C7 C15 110.94(12) . . ?
C8 C7 C14 109.19(12) . . ?
C5 C7 C14 109.00(12) . . ?
C15 C7 C14 109.27(14) . . ?
C13 C8 C9 116.41(13) . . ?
C13 C8 C7 118.66(12) . . ?
C9 C8 C7 124.93(12) . . ?
C10 C9 C8 121.01(13) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C11 C10 C9 120.57(14) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.18(13) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C13 C12 C11 117.13(12) . . ?
C13 C12 P2 117.16(10) . . ?
C11 C12 P2 125.49(11) . . ?
O1 C13 C8 120.10(12) . . ?
O1 C13 C12 115.29(11) . . ?
C8 C13 C12 124.60(13) . . ?
C7 C14 H14A 109.5 . . ?
C7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 C15 H15A 109.5 . . ?
C7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 118.81(13) . . ?
C21 C16 P1 121.27(11) . . ?
C17 C16 P1 119.49(10) . . ?
C18 C17 C16 120.77(14) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 119.84(14) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C20 C19 C18 119.96(14) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.37(14) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C16 120.19(14) . . ?
C20 C21 H21 119.9 . . ?
C16 C21 H21 119.9 . . ?
C23 C22 C27 118.96(13) . . ?
C23 C22 P1 124.28(11) . . ?
C27 C22 P1 116.76(11) . . ?
C22 C23 C24 120.09(14) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C25 C24 C23 120.42(15) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C24 119.86(14) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 120.19(15) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C22 120.47(14) . . ?
C26 C27 H27 119.8 . . ?
C22 C27 H27 119.8 . . ?
C33 C28 C29 118.55(13) . . ?
C33 C28 P2 122.13(12) . . ?
C29 C28 P2 119.24(11) . . ?
C30 C29 C28 120.71(14) . . ?
C30 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?
C29 C30 C31 120.00(15) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 119.82(15) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 120.32(15) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C32 C33 C28 120.56(15) . . ?
C32 C33 H33 119.7 . . ?
C28 C33 H33 119.7 . . ?
C35 C34 C39 118.86(13) . . ?
C35 C34 P2 122.59(11) . . ?
C39 C34 P2 118.45(11) . . ?
C34 C35 C36 120.51(13) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C37 C36 C35 120.27(14) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C36 C37 C38 119.47(14) . . ?
C36 C37 H37 120.3 . . ?
C38 C37 H37 120.3 . . ?
C39 C38 C37 120.48(14) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C34 120.37(14) . . ?
C38 C39 H39 119.8 . . ?
C34 C39 H39 119.8 . . ?
O6 C40 Co1 174.61(14) . . ?
O2 C41 Co1 143.48(13) . . ?
O2 C41 Co2 135.42(12) . . ?
Co1 C41 Co2 80.80(6) . . ?
O3 C42 Co2 178.71(16) . . ?
O4 C43 Co2 176.90(14) . . ?
O5 C44 Co1 149.36(12) . . ?
O5 C44 Co2 130.67(11) . . ?
Co1 C44 Co2 79.97(5) . . ?
O7 C45 Co2 178.76(14) . . ?

_refine_diff_density_max         1.113
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.069

