#------------------------------------------------------------------------------
#$Date: 2021-01-07 06:17:30 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260596 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/92/1559243.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_1559243
loop_
_publ_author_name
'Fischer, Fabian'
'Pientka, Tobias'
'Jiao, Haijun'
'Spannenberg, Anke'
'Hapke, Marko'
_publ_section_title
;
 CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis
 and reactivity
;
_journal_issue                   23
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              8005
_journal_page_last               8014
_journal_paper_doi               10.1039/D0CY00876A
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C24 H40 Co O6 P'
_chemical_formula_weight         514.46
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-10-02 deposited with the CCDC.	2020-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.5611(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9250(2)
_cell_length_b                   12.6105(2)
_cell_length_c                   20.1341(3)
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.41
_cell_volume                     2684.77(8)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0128
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            60158
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         1.924
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.732
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_description       prism
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.484
_exptl_crystal_size_mid          0.278
_exptl_crystal_size_min          0.253
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         7145
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0383P)²+0.8464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0705
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6438
_reflns_number_total             7145
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cy00876a2.cif
_cod_data_source_block           AX1168
_cod_depositor_comments
'Adding full bibliography for 1559240--1559245.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1559243
_shelx_shelxl_version_number     2014/7
_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'
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
C1 C 0.64747(12) 0.20531(9) 0.88759(6) 0.0282(2) Uani 1 1 d . . . . .
C2 C 0.67984(11) 0.31368(9) 0.87218(6) 0.0236(2) Uani 1 1 d . . . . .
C3 C 0.69435(10) 0.37389(9) 0.93417(6) 0.0222(2) Uani 1 1 d . . . . .
C4 C 0.67146(11) 0.30058(9) 0.98603(6) 0.0250(2) Uani 1 1 d . . . . .
C5 C 0.35525(12) 0.38800(14) 0.79920(8) 0.0439(4) Uani 1 1 d . . . . .
H5 H 0.3393 0.3869 0.7506 0.053 Uiso 1 1 calc R U . . .
C6 C 0.38069(12) 0.30081(11) 0.84255(8) 0.0392(3) Uani 1 1 d . . . . .
H6 H 0.3855 0.2292 0.8287 0.047 Uiso 1 1 calc R U . . .
C7 C 0.39819(11) 0.33649(11) 0.91059(7) 0.0349(3) Uani 1 1 d . . . . .
H7 H 0.4173 0.2931 0.9504 0.042 Uiso 1 1 calc R U . . .
C8 C 0.38244(12) 0.44763(12) 0.90949(8) 0.0381(3) Uani 1 1 d . . . . .
H8 H 0.3878 0.4925 0.9480 0.046 Uiso 1 1 calc R U . . .
C9 C 0.35745(12) 0.47909(12) 0.84074(9) 0.0437(4) Uani 1 1 d . . . . .
H9 H 0.3441 0.5500 0.8245 0.052 Uiso 1 1 calc R U . . .
C10 C 0.83893(10) 0.59445(9) 0.80950(6) 0.0226(2) Uani 1 1 d . . . . .
H10A H 0.8045 0.6673 0.8022 0.027 Uiso 1 1 calc R U . . .
H10B H 0.8416 0.5646 0.7644 0.027 Uiso 1 1 calc R U . . .
C11 C 0.97171(11) 0.59727(9) 0.85666(6) 0.0255(2) Uani 1 1 d . . . . .
C12 C 1.05222(12) 0.66231(13) 0.81920(7) 0.0404(3) Uani 1 1 d . . . . .
H12A H 1.0554 0.6262 0.7766 0.061 Uiso 1 1 calc R U . . .
H12B H 1.1381 0.6696 0.8486 0.061 Uiso 1 1 calc R U . . .
H12C H 1.0146 0.7328 0.8084 0.061 Uiso 1 1 calc R U . . .
C13 C 1.02444(12) 0.48515(12) 0.86978(8) 0.0409(3) Uani 1 1 d . . . . .
H13A H 0.9710 0.4436 0.8926 0.061 Uiso 1 1 calc R U . . .
H13B H 1.1108 0.4881 0.8992 0.061 Uiso 1 1 calc R U . . .
H13C H 1.0254 0.4516 0.8260 0.061 Uiso 1 1 calc R U . . .
C14 C 0.97014(13) 0.65062(13) 0.92448(7) 0.0381(3) Uani 1 1 d . . . . .
H14A H 0.9366 0.7227 0.9156 0.057 Uiso 1 1 calc R U . . .
H14B H 1.0564 0.6536 0.9539 0.057 Uiso 1 1 calc R U . . .
H14C H 0.9164 0.6097 0.9475 0.057 Uiso 1 1 calc R U . . .
C15 C 0.58524(11) 0.70279(8) 0.88286(6) 0.0238(2) Uani 1 1 d . . . . .
H15A H 0.6713 0.6883 0.9117 0.029 Uiso 1 1 calc R U . . .
H15B H 0.5233 0.6774 0.9076 0.029 Uiso 1 1 calc R U . . .
C16 C 0.56835(11) 0.82165(9) 0.86933(6) 0.0252(2) Uani 1 1 d . . . . .
C17 C 0.59065(15) 0.87640(10) 0.93933(7) 0.0372(3) Uani 1 1 d . . . . .
H17A H 0.5875 0.9535 0.9329 0.056 Uiso 1 1 calc R U . . .
H17B H 0.6738 0.8561 0.9680 0.056 Uiso 1 1 calc R U . . .
H17C H 0.5249 0.8546 0.9618 0.056 Uiso 1 1 calc R U . . .
C18 C 0.43474(13) 0.84509(11) 0.82721(7) 0.0363(3) Uani 1 1 d . . . . .
H18A H 0.4200 0.8092 0.7827 0.054 Uiso 1 1 calc R U . . .
H18B H 0.4244 0.9217 0.8200 0.054 Uiso 1 1 calc R U . . .
H18C H 0.3737 0.8194 0.8518 0.054 Uiso 1 1 calc R U . . .
C19 C 0.66474(14) 0.86132(10) 0.83179(8) 0.0362(3) Uani 1 1 d . . . . .
H19A H 0.6496 0.8267 0.7869 0.054 Uiso 1 1 calc R U . . .
H19B H 0.7503 0.8445 0.8589 0.054 Uiso 1 1 calc R U . . .
H19C H 0.6561 0.9383 0.8255 0.054 Uiso 1 1 calc R U . . .
C20 C 0.58088(12) 0.58705(10) 0.68281(6) 0.0287(2) Uani 1 1 d . . . . .
H20A H 0.6569 0.5717 0.6661 0.034 Uiso 1 1 calc R U . . .
H20B H 0.5903 0.6590 0.7031 0.034 Uiso 1 1 calc R U . . .
C21 C 0.46404(12) 0.58324(10) 0.62314(6) 0.0285(2) Uani 1 1 d . . . . .
C22 C 0.44678(18) 0.47365(12) 0.59170(8) 0.0482(4) Uani 1 1 d . . . . .
H22A H 0.5222 0.4542 0.5765 0.072 Uiso 1 1 calc R U . . .
H22B H 0.3728 0.4733 0.5523 0.072 Uiso 1 1 calc R U . . .
H22C H 0.4342 0.4224 0.6259 0.072 Uiso 1 1 calc R U . . .
C23 C 0.34787(15) 0.61440(17) 0.64732(9) 0.0551(5) Uani 1 1 d . . . . .
H23A H 0.2731 0.6125 0.6084 0.083 Uiso 1 1 calc R U . . .
H23B H 0.3591 0.6862 0.6665 0.083 Uiso 1 1 calc R U . . .
H23C H 0.3366 0.5645 0.6826 0.083 Uiso 1 1 calc R U . . .
C24 C 0.48576(17) 0.66386(13) 0.57049(7) 0.0478(4) Uani 1 1 d . . . . .
H24A H 0.5639 0.6463 0.5574 0.072 Uiso 1 1 calc R U . . .
H24B H 0.4929 0.7351 0.5906 0.072 Uiso 1 1 calc R U . . .
H24C H 0.4144 0.6618 0.5297 0.072 Uiso 1 1 calc R U . . .
Co1 Co 0.53052(2) 0.40762(2) 0.86649(2) 0.01808(5) Uani 1 1 d . . . . .
O1 O 0.63938(8) 0.20104(6) 0.95577(4) 0.02887(18) Uani 1 1 d . . . . .
O2 O 0.62935(11) 0.12655(7) 0.85328(5) 0.0418(2) Uani 1 1 d . . . . .
O3 O 0.67653(9) 0.31217(8) 1.04581(4) 0.0342(2) Uani 1 1 d . . . . .
O4 O 0.75807(7) 0.52949(6) 0.84029(4) 0.02381(16) Uani 1 1 d . . . . .
O5 O 0.56621(8) 0.64804(6) 0.81775(4) 0.02250(15) Uani 1 1 d . . . . .
O6 O 0.57056(8) 0.50982(6) 0.73469(4) 0.02485(16) Uani 1 1 d . . . . .
P1 P 0.60806(2) 0.52690(2) 0.81520(2) 0.01831(6) Uani 1 1 d . . . . .
H2 H 0.7259(13) 0.3234(11) 0.8395(7) 0.025(3) Uiso 1 1 d . . . . .
H3 H 0.7494(14) 0.4296(12) 0.9487(8) 0.030(4) Uiso 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'
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'
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
O2 C1 O1 119.48(11) . . ?
O2 C1 C2 131.72(11) . . ?
O1 C1 C2 108.79(10) . . ?
C3 C2 C1 106.81(10) . . ?
C3 C2 Co1 69.26(6) . . ?
C1 C2 Co1 109.19(8) . . ?
C3 C2 H2 125.7(9) . . ?
C1 C2 H2 118.3(9) . . ?
Co1 C2 H2 117.4(9) . . ?
C2 C3 C4 106.57(10) . . ?
C2 C3 Co1 68.68(6) . . ?
C4 C3 Co1 109.63(8) . . ?
C2 C3 H3 126.8(9) . . ?
C4 C3 H3 118.0(9) . . ?
Co1 C3 H3 117.0(9) . . ?
O3 C4 O1 119.28(10) . . ?
O3 C4 C3 131.77(11) . . ?
O1 C4 C3 108.95(9) . . ?
C6 C5 C9 107.45(13) . . ?
C6 C5 Co1 71.10(8) . . ?
C9 C5 Co1 68.91(8) . . ?
C6 C5 H5 126.3 . . ?
C9 C5 H5 126.3 . . ?
Co1 C5 H5 125.3 . . ?
C5 C6 C7 108.38(13) . . ?
C5 C6 Co1 69.78(7) . . ?
C7 C6 Co1 70.21(7) . . ?
C5 C6 H6 125.8 . . ?
C7 C6 H6 125.8 . . ?
Co1 C6 H6 125.8 . . ?
C6 C7 C8 108.41(12) . . ?
C6 C7 Co1 70.23(7) . . ?
C8 C7 Co1 70.14(7) . . ?
C6 C7 H7 125.8 . . ?
C8 C7 H7 125.8 . . ?
Co1 C7 H7 125.4 . . ?
C9 C8 C7 106.84(13) . . ?
C9 C8 Co1 68.64(7) . . ?
C7 C8 Co1 70.19(7) . . ?
C9 C8 H8 126.6 . . ?
C7 C8 H8 126.6 . . ?
Co1 C8 H8 126.1 . . ?
C8 C9 C5 108.91(13) . . ?
C8 C9 Co1 71.67(7) . . ?
C5 C9 Co1 70.68(8) . . ?
C8 C9 H9 125.5 . . ?
C5 C9 H9 125.5 . . ?
Co1 C9 H9 123.7 . . ?
O4 C10 C11 109.48(9) . . ?
O4 C10 H10A 109.8 . . ?
C11 C10 H10A 109.8 . . ?
O4 C10 H10B 109.8 . . ?
C11 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 C13 110.24(10) . . ?
C10 C11 C14 110.20(10) . . ?
C13 C11 C14 110.04(11) . . ?
C10 C11 C12 106.28(10) . . ?
C13 C11 C12 110.06(11) . . ?
C14 C11 C12 109.96(11) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O5 C15 C16 108.84(9) . . ?
O5 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
O5 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C18 C16 C15 110.26(10) . . ?
C18 C16 C19 110.18(11) . . ?
C15 C16 C19 110.04(10) . . ?
C18 C16 C17 109.47(11) . . ?
C15 C16 C17 107.10(9) . . ?
C19 C16 C17 109.73(11) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O6 C20 C21 110.23(10) . . ?
O6 C20 H20A 109.6 . . ?
C21 C20 H20A 109.6 . . ?
O6 C20 H20B 109.6 . . ?
C21 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 110.60(11) . . ?
C22 C21 C23 110.11(14) . . ?
C20 C21 C23 110.00(11) . . ?
C22 C21 C24 110.00(11) . . ?
C20 C21 C24 106.34(11) . . ?
C23 C21 C24 109.72(12) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C2 Co1 C3 42.06(5) . . ?
C2 Co1 C9 165.59(6) . . ?
C3 Co1 C9 151.50(6) . . ?
C2 Co1 C5 125.21(6) . . ?
C3 Co1 C5 160.69(6) . . ?
C9 Co1 C5 40.41(7) . . ?
C2 Co1 C8 146.12(6) . . ?
C3 Co1 C8 115.07(5) . . ?
C9 Co1 C8 39.69(6) . . ?
C5 Co1 C8 67.17(6) . . ?
C2 Co1 C7 111.42(5) . . ?
C3 Co1 C7 102.48(5) . . ?
C9 Co1 C7 66.42(5) . . ?
C5 Co1 C7 66.35(6) . . ?
C8 Co1 C7 39.67(6) . . ?
C2 Co1 C6 102.30(5) . . ?
C3 Co1 C6 122.43(6) . . ?
C9 Co1 C6 66.57(6) . . ?
C5 Co1 C6 39.13(6) . . ?
C8 Co1 C6 66.70(5) . . ?
C7 Co1 C6 39.57(6) . . ?
C2 Co1 P1 91.61(3) . . ?
C3 Co1 P1 94.81(3) . . ?
C9 Co1 P1 91.21(4) . . ?
C5 Co1 P1 100.59(4) . . ?
C8 Co1 P1 118.62(4) . . ?
C7 Co1 P1 156.96(4) . . ?
C6 Co1 P1 137.27(5) . . ?
C1 O1 C4 108.78(9) . . ?
C10 O4 P1 124.40(7) . . ?
C15 O5 P1 120.46(7) . . ?
C20 O6 P1 126.71(7) . . ?
O6 P1 O4 107.99(5) . . ?
O6 P1 O5 99.22(4) . . ?
O4 P1 O5 104.51(4) . . ?
O6 P1 Co1 111.73(3) . . ?
O4 P1 Co1 111.50(3) . . ?
O5 P1 Co1 120.67(3) . . ?
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
C1 O2 1.1974(15) . ?
C1 O1 1.3985(14) . ?
C1 C2 1.4644(16) . ?
C2 C3 1.4352(16) . ?
C2 Co1 1.9959(11) . ?
C2 H2 0.932(14) . ?
C3 C4 1.4626(15) . ?
C3 Co1 2.0036(11) . ?
C3 H3 0.923(16) . ?
C4 O3 1.1998(14) . ?
C4 O1 1.4008(14) . ?
C5 C6 1.388(2) . ?
C5 C9 1.418(2) . ?
C5 Co1 2.0638(13) . ?
C5 H5 0.9500 . ?
C6 C7 1.408(2) . ?
C6 Co1 2.0807(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.412(2) . ?
C7 Co1 2.0805(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.399(2) . ?
C8 Co1 2.0798(12) . ?
C8 H8 0.9500 . ?
C9 Co1 2.0405(13) . ?
C9 H9 0.9500 . ?
C10 O4 1.4530(12) . ?
C10 C11 1.5214(15) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C13 1.5245(18) . ?
C11 C14 1.5261(17) . ?
C11 C12 1.5326(16) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 O5 1.4496(13) . ?
C15 C16 1.5263(15) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C18 1.5214(17) . ?
C16 C19 1.5267(17) . ?
C16 C17 1.5331(17) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 O6 1.4531(13) . ?
C20 C21 1.5178(17) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.5121(19) . ?
C21 C23 1.5208(19) . ?
C21 C24 1.5298(19) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Co1 P1 2.1181(3) . ?
O4 P1 1.5893(8) . ?
O5 P1 1.5991(8) . ?
O6 P1 1.5837(8) . ?
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
O2 C1 C2 C3 -177.93(14) . . . . ?
O1 C1 C2 C3 1.54(13) . . . . ?
O2 C1 C2 Co1 108.72(15) . . . . ?
O1 C1 C2 Co1 -71.81(11) . . . . ?
C1 C2 C3 C4 0.44(12) . . . . ?
Co1 C2 C3 C4 105.08(8) . . . . ?
C1 C2 C3 Co1 -104.64(9) . . . . ?
C2 C3 C4 O3 177.23(12) . . . . ?
Co1 C3 C4 O3 -110.03(13) . . . . ?
C2 C3 C4 O1 -2.27(12) . . . . ?
Co1 C3 C4 O1 70.47(10) . . . . ?
C9 C5 C6 C7 0.24(14) . . . . ?
Co1 C5 C6 C7 59.82(9) . . . . ?
C9 C5 C6 Co1 -59.58(9) . . . . ?
C5 C6 C7 C8 0.44(14) . . . . ?
Co1 C6 C7 C8 59.99(8) . . . . ?
C5 C6 C7 Co1 -59.55(9) . . . . ?
C6 C7 C8 C9 -0.94(14) . . . . ?
Co1 C7 C8 C9 59.10(8) . . . . ?
C6 C7 C8 Co1 -60.05(8) . . . . ?
C7 C8 C9 C5 1.09(14) . . . . ?
Co1 C8 C9 C5 61.19(9) . . . . ?
C7 C8 C9 Co1 -60.10(8) . . . . ?
C6 C5 C9 C8 -0.83(15) . . . . ?
Co1 C5 C9 C8 -61.81(9) . . . . ?
C6 C5 C9 Co1 60.97(9) . . . . ?
O4 C10 C11 C13 58.03(13) . . . . ?
O4 C10 C11 C14 -63.62(12) . . . . ?
O4 C10 C11 C12 177.27(10) . . . . ?
O5 C15 C16 C18 61.57(12) . . . . ?
O5 C15 C16 C19 -60.17(13) . . . . ?
O5 C15 C16 C17 -179.39(10) . . . . ?
O6 C20 C21 C22 -58.62(14) . . . . ?
O6 C20 C21 C23 63.24(15) . . . . ?
O6 C20 C21 C24 -178.02(11) . . . . ?
O2 C1 O1 C4 176.55(12) . . . . ?
C2 C1 O1 C4 -2.99(13) . . . . ?
O3 C4 O1 C1 -176.29(10) . . . . ?
C3 C4 O1 C1 3.28(12) . . . . ?
C11 C10 O4 P1 166.28(8) . . . . ?
C16 C15 O5 P1 165.95(7) . . . . ?
C21 C20 O6 P1 -137.82(9) . . . . ?
C20 O6 P1 O4 -72.43(10) . . . . ?
C20 O6 P1 O5 36.21(10) . . . . ?
C20 O6 P1 Co1 164.60(8) . . . . ?
C10 O4 P1 O6 49.85(9) . . . . ?
C10 O4 P1 O5 -55.10(9) . . . . ?
C10 O4 P1 Co1 172.97(7) . . . . ?
C15 O5 P1 O6 -178.42(8) . . . . ?
C15 O5 P1 O4 -66.99(8) . . . . ?
C15 O5 P1 Co1 59.42(8) . . . . ?
