#------------------------------------------------------------------------------
#$Date: 2022-06-06 04:36:43 +0300 (Mon, 06 Jun 2022) $
#$Revision: 275775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/66/1566681.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1566681
loop_
_publ_author_name
'Martínez-Carrión, Alicia'
'Romero-Navarro, Andrés'
'Núñez-Rico, José Luis'
'Gutiérrez, Albert'
'Grabulosa, Arnald'
'Vidal-Ferran, Anton'
_publ_section_title
;
 Valorisation of mixtures of linear alkenes using cobalt-mediated
 isomerisation and hydroformylation chemistries
;
_journal_issue                   10
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              3219
_journal_page_last               3227
_journal_paper_doi               10.1039/D1CY01754C
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'C45 H32 Co2 O7 P2'
_chemical_formula_sum            'C45 H32 Co2 O7 P2'
_chemical_formula_weight         864.50
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc28kfny
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-08-08 deposited with the CCDC.	2022-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                106.744(3)
_cell_angle_beta                 95.840(3)
_cell_angle_gamma                112.496(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8578(8)
_cell_length_b                   11.6947(9)
_cell_length_c                   17.4282(13)
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.63
_cell_volume                     1900.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            63484
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.548
_diffrn_reflns_theta_min         2.514
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_description       prism
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.348
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.113
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         11551
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0327P)²+1.4554P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0782
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10051
_reflns_number_total             11551
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cy01754c2.cif
_cod_data_source_block           Complex_C2
_cod_depositor_comments
'Adding full bibliography for 1566680--1566681.cif.'
_cod_database_code               1566681
_shelx_shelxl_version_number     2018/3
_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'
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 . . . . .
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'
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) . . ?
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 . ?
