# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_a(4)
_database_code_depnum_ccdc_archive 'CCDC 1997756'
loop_
_audit_author_name
_audit_author_address
'Yan Xu'
;Suqian College
China
;
_audit_update_record             
;
2020-04-18 deposited with the CCDC.	2025-07-10 downloaded from the CCDC.
;
_audit_creation_date             2019-12-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11 H9 Co2 O7 P'
_chemical_formula_sum            'C11 H9 Co2 O7 P'
_chemical_formula_weight         402.01
_chemical_melting_point          ?
_chemical_oxdiff_usercomment     'C H O P Co Cl'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   10.6520(3)
_cell_length_b                   5.4984(2)
_cell_length_c                   42.3062(13)
_cell_angle_alpha                90
_cell_angle_beta                 95.802(3)
_cell_angle_gamma                90
_cell_volume                     2465.14(14)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7019
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.6270
_cell_measurement_theta_min      2.8810
_shelx_estimated_absorpt_T_max   0.599
_shelx_estimated_absorpt_T_min   0.599
_exptl_absorpt_coefficient_mu    2.852
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.34b (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.166
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.862
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            13140
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.862
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.728
_diffrn_reflns_theta_min         1.935
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     45.00  72.36   0.38    1.50    --   13.88 178.00 -60.00   72
  2  ω     28.00  63.34   0.38    1.50    --  -12.79  57.00  30.00   93
  3  ω    -26.00   0.22   0.38    1.50    --  -12.79  57.00  30.00   69
  4  ω    -63.00  40.36   0.38    1.50    --   13.88 -57.00  90.00  272
  5  ω    -22.00  35.00   0.38    1.50    --  -12.79 -99.00 120.00  150
  6  ω    -62.00  39.08   0.38    1.50    --   13.88 -57.00-180.00  266
  7  ω     16.00  42.22   0.38    1.50    --   13.88-132.00-170.00   69
  8  ω     28.00  79.30   0.38    1.50    --   13.88-137.00  13.00  135
  9  ω    -80.00  -8.94   0.38    1.50    --  -12.79 -19.00 -90.00  187
 10  ω     -6.00  19.08   0.38    1.50    --  -12.79 -19.00 -90.00   66
 11  ω     43.00  68.08   0.38    1.50    --  -12.79 -19.00 -90.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0416790000
_diffrn_orient_matrix_UB_12      0.0049554000
_diffrn_orient_matrix_UB_13      -0.0120330000
_diffrn_orient_matrix_UB_21      -0.0521446000
_diffrn_orient_matrix_UB_22      -0.0088539000
_diffrn_orient_matrix_UB_23      -0.0117851000
_diffrn_orient_matrix_UB_31      -0.0052084000
_diffrn_orient_matrix_UB_32      0.1286030000
_diffrn_orient_matrix_UB_33      -0.0003541000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2459
_reflns_number_total             2765
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.07
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.548
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         2765
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0309
_refine_ls_restrained_S_all      1.057
_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)+(0.0397P)²+3.2854P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0808
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 O4-H4
 0.82 with sigma of 0.001
3.a Rotating group:
 O7(H7A,H7B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4A), C7(H7), C8(H8), C9(H9)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.50088(3) 0.94107(6) 0.73054(2) 0.01797(11) Uani 1 1 d . . . . .
Co2 Co 0.750000 0.250000 0.750000 0.01246(12) Uani 1 2 d S T P . .
Co3 Co 0.750000 0.53456(9) 0.500000 0.02203(13) Uani 1 2 d S T P . .
P1 P 0.75538(5) 0.74526(10) 0.70593(2) 0.01183(14) Uani 1 1 d . . . . .
O1 O 0.61203(14) 0.7524(3) 0.70662(4) 0.0163(3) Uani 1 1 d . . . . .
O2 O 0.81544(14) 0.9959(3) 0.71447(4) 0.0145(3) Uani 1 1 d . . . . .
O3 O 0.81786(14) 0.5459(3) 0.72715(4) 0.0154(3) Uani 1 1 d . . . . .
O4 O 0.43428(14) 0.7775(3) 0.76775(4) 0.0150(3) Uani 1 1 d D . . . .
H4 H 0.444(3) 0.858(5) 0.7841(4) 0.042(10) Uiso 1 1 d D . . . .
O5 O 0.80731(18) 0.8064(4) 0.53719(5) 0.0304(4) Uani 1 1 d . . . . .
O6 O 0.62403(17) 0.6288(4) 0.53310(5) 0.0323(4) Uani 1 1 d . . . . .
O7 O 0.63353(19) 0.2851(4) 0.47617(6) 0.0416(6) Uani 1 1 d . . . . .
H7A H 0.561551 0.285904 0.483436 0.062 Uiso 1 1 d GR . . . .
H7B H 0.662025 0.142067 0.480296 0.062 Uiso 1 1 d GR . . . .
C1 C 0.7826(2) 0.6712(4) 0.66550(5) 0.0149(4) Uani 1 1 d . . . . .
C2 C 0.8567(2) 0.4720(4) 0.66053(6) 0.0192(5) Uani 1 1 d . . . . .
H2 H 0.895358 0.384435 0.678272 0.023 Uiso 1 1 calc R . . . .
C3 C 0.8760(2) 0.3959(5) 0.62959(6) 0.0216(5) Uani 1 1 d . . . . .
H3 H 0.927927 0.258914 0.626648 0.026 Uiso 1 1 calc R . . . .
C4 C 0.8208(2) 0.5178(5) 0.60400(6) 0.0210(5) Uani 1 1 d . . . . .
H4A H 0.833858 0.463953 0.583245 0.025 Uiso 1 1 calc R . . . .
C5 C 0.7441(2) 0.7237(4) 0.60771(6) 0.0179(5) Uani 1 1 d . . . . .
C6 C 0.7245(2) 0.8048(4) 0.63884(6) 0.0163(5) Uani 1 1 d . . . . .
C7 C 0.6477(2) 1.0123(4) 0.64174(6) 0.0206(5) Uani 1 1 d . . . . .
H7 H 0.635797 1.072245 0.662280 0.025 Uiso 1 1 calc R . . . .
C8 C 0.5907(2) 1.1276(5) 0.61565(6) 0.0257(6) Uani 1 1 d . . . . .
H8 H 0.538987 1.265302 0.618317 0.031 Uiso 1 1 calc R . . . .
C9 C 0.6070(3) 1.0463(5) 0.58484(6) 0.0271(6) Uani 1 1 d . . . . .
H9 H 0.565239 1.126340 0.566852 0.032 Uiso 1 1 calc R . . . .
C10 C 0.6835(2) 0.8513(5) 0.58094(6) 0.0211(5) Uani 1 1 d . . . . .
C11 C 0.7058(2) 0.7623(5) 0.54864(6) 0.0227(5) 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 O1 1.9350(15) . ?
Co1 O2 2.0525(16) 6_575 ?
Co1 O4 2.0040(17) . ?
Co1 O4 1.9731(16) 4_556 ?
Co2 O2 2.2160(15) 7_666 ?
Co2 O2 2.2160(15) 1_545 ?
Co2 O3 2.0604(15) . ?
Co2 O3 2.0604(15) 7_656 ?
Co2 O4 2.0351(16) 4_546 ?
Co2 O4 2.0351(16) 6_665 ?
Co3 O5 2.211(2) . ?
Co3 O5 2.211(2) 2_656 ?
Co3 O6 2.1002(18) 2_656 ?
Co3 O6 2.1002(18) . ?
Co3 O7 2.045(2) . ?
Co3 O7 2.045(2) 2_656 ?
Co3 C11 2.494(3) 2_656 ?
Co3 C11 2.494(3) . ?
P1 O1 1.5307(16) . ?
P1 O2 1.5464(17) . ?
P1 O3 1.5263(17) . ?
P1 C1 1.810(2) . ?
O4 H4 0.8200(12) . ?
O5 C11 1.253(3) . ?
O6 C11 1.270(3) . ?
O7 H7A 0.8544 . ?
O7 H7B 0.8547 . ?
C1 C2 1.378(3) . ?
C1 C6 1.433(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.409(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.356(4) . ?
C4 H4A 0.9500 . ?
C4 C5 1.414(3) . ?
C5 C6 1.426(3) . ?
C5 C10 1.430(3) . ?
C6 C7 1.416(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.361(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.405(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.366(4) . ?
C10 C11 1.493(3) . ?

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
O1 Co1 O2 122.45(7) . 6_575 ?
O1 Co1 O4 117.00(7) . . ?
O1 Co1 O4 106.94(7) . 4_556 ?
O4 Co1 O2 86.04(7) . 6_575 ?
O4 Co1 O2 100.10(7) 4_556 6_575 ?
O4 Co1 O4 122.84(5) 4_556 . ?
O2 Co2 O2 180.00(6) 7_666 1_545 ?
O3 Co2 O2 88.27(6) 7_656 1_545 ?
O3 Co2 O2 91.73(6) . 1_545 ?
O3 Co2 O2 88.27(6) . 7_666 ?
O3 Co2 O2 91.73(6) 7_656 7_666 ?
O3 Co2 O3 180.00(8) . 7_656 ?
O4 Co2 O2 98.88(6) 4_546 1_545 ?
O4 Co2 O2 81.12(6) 6_665 1_545 ?
O4 Co2 O2 81.12(6) 4_546 7_666 ?
O4 Co2 O2 98.88(6) 6_665 7_666 ?
O4 Co2 O3 81.98(6) 4_546 7_656 ?
O4 Co2 O3 98.02(6) 6_665 7_656 ?
O4 Co2 O3 81.99(6) 6_665 . ?
O4 Co2 O3 98.01(6) 4_546 . ?
O4 Co2 O4 180.00(9) 6_665 4_546 ?
O5 Co3 O5 94.92(11) . 2_656 ?
O5 Co3 C11 30.12(7) 2_656 2_656 ?
O5 Co3 C11 30.12(7) . . ?
O5 Co3 C11 100.72(8) . 2_656 ?
O5 Co3 C11 100.72(8) 2_656 . ?
O6 Co3 O5 99.13(8) . 2_656 ?
O6 Co3 O5 60.51(7) . . ?
O6 Co3 O5 60.51(7) 2_656 2_656 ?
O6 Co3 O5 99.13(8) 2_656 . ?
O6 Co3 O6 151.42(12) . 2_656 ?
O6 Co3 C11 127.81(9) 2_656 . ?
O6 Co3 C11 30.59(8) 2_656 2_656 ?
O6 Co3 C11 30.59(8) . . ?
O6 Co3 C11 127.81(9) . 2_656 ?
O7 Co3 O5 89.57(9) 2_656 . ?
O7 Co3 O5 156.08(8) 2_656 2_656 ?
O7 Co3 O5 156.09(8) . . ?
O7 Co3 O5 89.57(9) . 2_656 ?
O7 Co3 O6 103.50(9) 2_656 . ?
O7 Co3 O6 103.50(9) . 2_656 ?
O7 Co3 O6 95.60(8) . . ?
O7 Co3 O6 95.60(8) 2_656 2_656 ?
O7 Co3 O7 95.78(13) 2_656 . ?
O7 Co3 C11 94.93(9) . 2_656 ?
O7 Co3 C11 125.98(9) . . ?
O7 Co3 C11 94.93(9) 2_656 . ?
O7 Co3 C11 125.98(9) 2_656 2_656 ?
C11 Co3 C11 119.72(12) 2_656 . ?
O1 P1 O2 111.26(9) . . ?
O1 P1 C1 106.21(10) . . ?
O2 P1 C1 108.62(10) . . ?
O3 P1 O1 112.57(9) . . ?
O3 P1 O2 110.92(9) . . ?
O3 P1 C1 106.98(10) . . ?
P1 O1 Co1 133.48(10) . . ?
Co1 O2 Co2 91.54(6) 6_675 1_565 ?
P1 O2 Co1 126.12(9) . 6_675 ?
P1 O2 Co2 124.69(8) . 1_565 ?
P1 O3 Co2 133.65(9) . . ?
Co1 O4 Co1 107.42(7) 4_546 . ?
Co1 O4 Co2 98.53(7) . 4_556 ?
Co1 O4 Co2 105.37(7) 4_546 4_556 ?
Co1 O4 H4 113(2) . . ?
Co1 O4 H4 118(2) 4_546 . ?
Co2 O4 H4 113(2) 4_556 . ?
C11 O5 Co3 87.56(16) . . ?
C11 O6 Co3 92.12(15) . . ?
Co3 O7 H7A 109.9 . . ?
Co3 O7 H7B 109.3 . . ?
H7A O7 H7B 104.1 . . ?
C2 C1 P1 118.16(18) . . ?
C2 C1 C6 119.7(2) . . ?
C6 C1 P1 122.04(17) . . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121.2(2) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(2) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4A 119.5 . . ?
C3 C4 C5 121.1(2) . . ?
C5 C4 H4A 119.5 . . ?
C4 C5 C6 119.6(2) . . ?
C4 C5 C10 121.6(2) . . ?
C6 C5 C10 118.8(2) . . ?
C5 C6 C1 118.3(2) . . ?
C7 C6 C1 123.5(2) . . ?
C7 C6 C5 118.2(2) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 C6 121.3(2) . . ?
C8 C7 H7 119.4 . . ?
C7 C8 H8 119.4 . . ?
C7 C8 C9 121.1(2) . . ?
C9 C8 H8 119.4 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.5(2) . . ?
C10 C9 H9 120.2 . . ?
C5 C10 C11 117.6(2) . . ?
C9 C10 C5 121.1(2) . . ?
C9 C10 C11 121.3(2) . . ?
O5 C11 Co3 62.32(14) . . ?
O5 C11 O6 119.0(2) . . ?
O5 C11 C10 120.9(2) . . ?
O6 C11 Co3 57.29(13) . . ?
O6 C11 C10 119.9(2) . . ?
C10 C11 Co3 168.67(18) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.380
_oxdiff_exptl_absorpt_empirical_full_min 0.346
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2296671'
loop_
_audit_author_name
_audit_author_address
'Yan Xu'
;suqian university
China
;
_audit_update_record             
;
2025-07-07 deposited with the CCDC.	2025-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_formula_moiety         
'C55 H51 Co8 O36 P5, 4(H O0.50), 2(H O0.50), 2(H O0.50), 2(H O0.50), H O0.50, H O0.50'
_chemical_formula_sum            'C55 H65 Co8 O43 P5'
_chemical_formula_weight         2040.36

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   26.3066(18)
_cell_length_b                   21.2796(14)
_cell_length_c                   13.9084(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7785.8(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2998
_cell_measurement_theta_min      2.336
_cell_measurement_theta_max      21.611

_exptl_crystal_description       sheet-like
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_F_000             4120
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.860
_shelx_estimated_absorpt_T_min   0.523
_shelx_estimated_absorpt_T_max   0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42149
_diffrn_reflns_av_unetI/netI     0.0752
_diffrn_reflns_av_R_equivalents  0.1142
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.656
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_full        25.025
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7074
_reflns_number_gt                4711
_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       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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)+(0.0685P)²+24.4821P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7074
_refine_ls_number_parameters     709
_refine_ls_number_restraints     527
_refine_ls_R_factor_all          0.0945
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1504
_refine_ls_wR_factor_gt          0.1270
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

# start Validation Reply Form
_vrf_PLAT420_1                   
;
PROBLEM: D-H Bond Without Acceptor  O4W      --H4WA     .     Please Check 
RESPONSE: O4W acts as a hydrogen bond donor and acceptor, forming hydrogen 
bonds with O11W and O9W, respectively. There are no suitable oxygen atoms 
around the direction of O4W-H4WA to form a hydrogen bond. Similarly, O10W 
serves as both a hydrogen bond donor and acceptor, forming hydrogen bonds 
with O12W and with O3W and O7W, respectively. There are also no suitable oxygen 
atoms around the direction of O10W-H10B to form a hydrogen bond.
;
# end Validation Reply Form

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 0.29006(3) 0.82481(4) 0.48697(6) 0.0174(2) Uani 1 1 d . . . . .
Co2 Co 0.38175(3) 0.89858(4) 0.56576(6) 0.0186(2) Uani 1 1 d . . . . .
Co3 Co 0.55682(3) 1.00552(4) 0.61402(7) 0.0256(2) Uani 1 1 d . . . . .
Co4 Co 0.31459(4) 0.750000 0.27402(8) 0.0178(3) Uani 1 2 d S T P . .
Co5 Co 0.42766(4) 0.750000 0.25773(8) 0.0180(3) Uani 1 2 d S T P . .
P1 P 0.37225(9) 0.7533(14) 0.63978(18) 0.0142(16) Uani 0.5 1 d . U P A -1
O1 O 0.34812(15) 0.80931(18) 0.5970(3) 0.0192(9) Uani 1 1 d . U . A -1
O2 O 0.4295(2) 0.7554(19) 0.6275(5) 0.016(4) Uani 0.5 1 d . U P A -1
C1 C 0.3618(3) 0.7460(5) 0.7718(3) 0.0171(18) Uani 0.5 1 d G U P A -1
C2 C 0.4018(2) 0.7719(4) 0.8239(5) 0.024(3) Uani 0.5 1 d G U P A -1
H2A H 0.429184 0.789906 0.791835 0.028 Uiso 0.5 1 calc R U P A -1
C3 C 0.4008(2) 0.7709(4) 0.9238(5) 0.025(3) Uani 0.5 1 d G U P A -1
H3A H 0.427518 0.788190 0.958589 0.031 Uiso 0.5 1 calc R U P A -1
C4 C 0.3598(3) 0.7440(5) 0.9716(3) 0.020(2) Uani 0.5 1 d G U P A -1
C5 C 0.3199(2) 0.7181(4) 0.9196(5) 0.023(3) Uani 0.5 1 d G U P A -1
C10 C 0.3209(2) 0.7191(4) 0.8197(5) 0.023(3) Uani 0.5 1 d G . P A -1
C6 C 0.2769(5) 0.6876(8) 0.9688(10) 0.038(3) Uani 0.5 1 d . U P A -1
H6A H 0.275520 0.686777 1.035605 0.045 Uiso 0.5 1 d R U P A -1
C7 C 0.2394(6) 0.6624(8) 0.9185(11) 0.047(4) Uani 0.5 1 d . U P A -1
H7A H 0.212843 0.642180 0.950009 0.056 Uiso 0.5 1 d R U P A -1
C8 C 0.2396(6) 0.6641(9) 0.8173(11) 0.050(5) Uani 0.5 1 d . . P A -1
H8A H 0.212475 0.647568 0.782666 0.060 Uiso 0.5 1 calc R U P A -1
C9 C 0.2792(5) 0.6895(8) 0.7717(10) 0.038(4) Uani 0.5 1 d . . P A -1
H9A H 0.279686 0.687950 0.704886 0.046 Uiso 0.5 1 calc R U P A -1
C11 C 0.3643(4) 0.752(4) 1.0808(7) 0.022(3) Uani 0.5 1 d . U P A -1
O9 O 0.3242(3) 0.7574(13) 1.1294(5) 0.016(4) Uani 0.5 1 d . U P A -1
O10 O 0.4088(3) 0.7578(12) 1.1171(5) 0.019(4) Uani 0.5 1 d . U P A -1
P2 P 0.36923(6) 0.88584(7) 0.32723(11) 0.0155(3) Uani 1 1 d . . . . .
P3 P 0.44393(6) 1.03353(8) 0.58045(14) 0.0266(4) Uani 1 1 d . . . . .
C12 C 0.3276(2) 0.9356(3) 0.2570(5) 0.0190(14) Uani 1 1 d . . . . .
C13 C 0.2883(2) 0.9662(3) 0.3030(5) 0.0289(16) Uani 1 1 d . . . . .
H13A H 0.283682 0.960424 0.368658 0.035 Uiso 1 1 calc R U . . .
C14 C 0.2553(2) 1.0059(3) 0.2526(5) 0.0293(16) Uani 1 1 d . . . . .
H14A H 0.228073 1.024143 0.284763 0.035 Uiso 1 1 calc R U . . .
C15 C 0.2622(2) 1.0183(3) 0.1583(5) 0.0267(16) Uani 1 1 d . . . . .
C16 C 0.3028(2) 0.9890(3) 0.1065(5) 0.0242(15) Uani 1 1 d . . . . .
C17 C 0.3115(3) 0.9994(4) 0.0071(5) 0.0357(18) Uani 1 1 d . . . . .
H17A H 0.290532 1.026967 -0.026258 0.043 Uiso 1 1 calc R U . . .
C18 C 0.3498(3) 0.9699(4) -0.0402(6) 0.052(2) Uani 1 1 d . . . . .
H18A H 0.355148 0.977943 -0.105189 0.062 Uiso 1 1 calc R U . . .
C19 C 0.3813(3) 0.9276(4) 0.0085(6) 0.045(2) Uani 1 1 d . . . . .
H19A H 0.407250 0.907185 -0.024504 0.055 Uiso 1 1 calc R U . . .
C20 C 0.3743(3) 0.9160(3) 0.1038(5) 0.0317(17) Uani 1 1 d . . . . .
H20A H 0.395724 0.887795 0.134984 0.038 Uiso 1 1 calc R U . . .
C21 C 0.3353(2) 0.9459(3) 0.1565(5) 0.0204(14) Uani 1 1 d . . . . .
C22 C 0.2268(3) 1.0642(3) 0.1092(5) 0.0276(16) Uani 1 1 d . . . . .
C23 C 0.3996(8) 1.0682(15) 0.6672(12) 0.019(3) Uani 0.5 1 d D U P B 1
C24 C 0.4030(6) 1.0833(13) 0.7661(11) 0.024(3) Uani 0.5 1 d D U P B 1
C25 C 0.4464(5) 1.0631(8) 0.8173(8) 0.041(3) Uani 0.5 1 d D U P B 1
H25A H 0.471473 1.040577 0.785108 0.049 Uiso 0.5 1 calc R U P B 1
C26 C 0.4527(6) 1.0763(8) 0.9156(9) 0.050(3) Uani 0.5 1 d D U P B 1
H26A H 0.481659 1.063255 0.948402 0.060 Uiso 0.5 1 calc R U P B 1
C27 C 0.4141(5) 1.1098(8) 0.9629(10) 0.048(3) Uani 0.5 1 d D U P B 1
H27A H 0.417360 1.120250 1.027554 0.058 Uiso 0.5 1 calc R U P B 1
C28 C 0.3705(5) 1.1274(8) 0.9113(8) 0.039(3) Uani 0.5 1 d D U P B 1
H28A H 0.344811 1.148024 0.944709 0.047 Uiso 0.5 1 calc R U P B 1
C29 C 0.3628(5) 1.1159(11) 0.8125(9) 0.026(3) Uani 0.5 1 d D U P B 1
C30 C 0.3200(5) 1.1347(11) 0.7591(9) 0.022(3) Uani 0.5 1 d D U P B 1
C31 C 0.3170(7) 1.1197(10) 0.6609(9) 0.025(3) Uani 0.5 1 d D U P B 1
H31A H 0.288427 1.131585 0.625969 0.030 Uiso 0.5 1 calc R U P B 1
C36 C 0.3563(6) 1.0870(10) 0.6146(12) 0.021(3) Uani 0.5 1 d D U P B 1
H36A H 0.353851 1.077690 0.549438 0.025 Uiso 0.5 1 calc R U P B 1
C37 C 0.2746(5) 1.1649(6) 0.8087(10) 0.024(2) Uani 0.5 1 d D U P B 1
O11 O 0.2495(3) 1.1992(4) 0.7535(7) 0.0278(19) Uani 0.5 1 d . U P B 1
O12 O 0.2657(5) 1.1513(6) 0.8921(8) 0.025(2) Uani 0.5 1 d . U P B 1
C23' C 0.3944(9) 1.0722(15) 0.6483(13) 0.023(4) Uani 0.5 1 d D U P B 2
C24' C 0.4089(7) 1.0781(11) 0.7451(11) 0.023(3) Uani 0.5 1 d D U P B 2
H24A H 0.439202 1.060398 0.766445 0.028 Uiso 0.5 1 calc R U P B 2
C29' C 0.3776(5) 1.1109(10) 0.8095(12) 0.025(3) Uani 0.5 1 d D U P B 2
H29A H 0.387568 1.115011 0.873398 0.031 Uiso 0.5 1 calc R U P B 2
C30' C 0.3316(6) 1.1376(11) 0.7792(9) 0.026(3) Uani 0.5 1 d D U P B 2
C31' C 0.3161(6) 1.1317(10) 0.6832(9) 0.027(3) Uani 0.5 1 d D U P B 2
C36' C 0.3482(7) 1.0993(11) 0.6187(10) 0.028(3) Uani 0.5 1 d D U P B 2
C32 C 0.2718(5) 1.1574(7) 0.6431(9) 0.040(3) Uani 0.5 1 d D U P B 2
H32A H 0.250518 1.181067 0.682389 0.048 Uiso 0.5 1 d R U P B 2
C33 C 0.2581(5) 1.1489(7) 0.5468(9) 0.045(3) Uani 0.5 1 d D U P B 2
H33A H 0.227770 1.165797 0.524228 0.053 Uiso 0.5 1 d R U P B 2
C34 C 0.2897(4) 1.1148(7) 0.4851(11) 0.043(3) Uani 0.5 1 d D U P B 2
H34A H 0.281050 1.109422 0.420860 0.052 Uiso 0.5 1 d R U P B 2
C35 C 0.3346(5) 1.0901(7) 0.5221(10) 0.037(3) Uani 0.5 1 d D U P B 2
H35A H 0.356002 1.067093 0.482201 0.044 Uiso 0.5 1 calc R U P B 2
C37' C 0.3006(5) 1.1764(6) 0.8502(10) 0.031(2) Uani 0.5 1 d D U P B 2
O11' O 0.3252(4) 1.2126(5) 0.9057(8) 0.043(2) Uani 0.5 1 d . U P B 2
O12' O 0.2547(5) 1.1670(6) 0.8595(10) 0.031(2) Uani 0.5 1 d . U P B 2
O3 O 0.34803(15) 0.88456(19) 0.4302(3) 0.0186(9) Uani 1 1 d . . . . .
O4 O 0.37088(15) 0.82027(18) 0.2813(3) 0.0182(9) Uani 1 1 d . . . . .
O5 O 0.42233(15) 0.91478(19) 0.3238(3) 0.0214(10) Uani 1 1 d . . . . .
O6 O 0.41650(15) 0.9823(2) 0.5205(3) 0.0264(11) Uani 1 1 d . . . . .
O7 O 0.48449(16) 1.0045(2) 0.6438(4) 0.0355(12) Uani 1 1 d . . . . .
O8 O 0.46455(19) 1.0805(2) 0.5093(4) 0.0458(15) Uani 1 1 d . . . . .
O13 O 0.18025(16) 1.0552(2) 0.1186(4) 0.0315(12) Uani 1 1 d . . . . .
O14 O 0.24677(17) 1.1096(2) 0.0655(4) 0.0380(13) Uani 1 1 d . . . . .
O15 O 0.3193(2) 0.750000 0.4193(4) 0.0158(13) Uani 1 2 d S T P A .
H15A H 0.350877 0.750000 0.432368 0.024 Uiso 1 2 d R U P . .
O1W O 0.2373(2) 0.750000 0.5372(4) 0.0229(14) Uani 1 2 d S T P A .
H1WA H 0.208830 0.750000 0.508218 0.034 Uiso 1 2 d R U P . .
H1WB H 0.232970 0.750000 0.597828 0.034 Uiso 1 2 d R U P . .
O2W O 0.45010(16) 0.8529(2) 0.5263(3) 0.0285(11) Uani 1 1 d . . . . .
H2WA H 0.453841 0.820103 0.560435 0.043 Uiso 1 1 d R U . . .
H2WB H 0.475041 0.877573 0.535535 0.043 Uiso 1 1 d R U . . .
O3W O 0.4110(2) 0.9081(3) 0.7083(4) 0.0549(16) Uani 1 1 d . U . . .
H3WA H 0.427084 0.942633 0.712852 0.082 Uiso 1 1 d R U . . .
H3WB H 0.431164 0.877753 0.719762 0.082 Uiso 1 1 d R U . . .
O4W O 0.5910(3) 0.9389(3) 0.6915(6) 0.092(2) Uani 1 1 d . U . . .
H4WA H 0.622551 0.939170 0.678652 0.138 Uiso 1 1 d R U . . .
H4WB H 0.578481 0.903300 0.677193 0.138 Uiso 1 1 d R U . . .
O5W O 0.48240(18) 0.6789(2) 0.2452(4) 0.0403(13) Uani 1 1 d . . . . .
H5WA H 0.464164 0.650153 0.269987 0.060 Uiso 1 1 d R U . . .
H5WB H 0.485914 0.679523 0.184437 0.060 Uiso 1 1 d R U . . .
O6W O 0.4383(3) 0.750000 0.4055(5) 0.042(2) Uani 1 2 d S T P . .
H6WA H 0.424670 0.782610 0.429605 0.064 Uiso 1 1 d R U . . .
O7W O 0.4786(8) 0.250000 0.2813(18) 0.271(12) Uani 1 2 d S TU P . .
H7WA H 0.507191 0.250000 0.309867 0.407 Uiso 1 2 d R U P . .
H7WB H 0.485981 0.216450 0.251207 0.407 Uiso 0.5 1 d R U P . .
O8W O 0.4290(4) 0.250000 0.7136(16) 0.195(10) Uani 1 2 d S T P . .
H8WA H 0.411410 0.250000 0.662275 0.292 Uiso 1 2 d R U P . .
H8WB H 0.456440 0.270390 0.705805 0.292 Uiso 0.5 1 d R U P . .
O9W O 0.3535(7) 0.1292(10) 0.1461(19) 0.181(11) Uani 0.5 1 d . . P . .
H9WA H 0.327457 0.112617 0.120067 0.272 Uiso 0.5 1 d R U P . .
H9WB H 0.368517 0.102987 0.182497 0.272 Uiso 0.5 1 d R U P . .
O11W O 0.4151(6) 0.1735(7) 0.4141(17) 0.142(9) Uani 0.5 1 d . . P . .
H11C H 0.433198 0.195390 0.376061 0.213 Uiso 0.5 1 d R U P . .
H11D H 0.430418 0.144180 0.443821 0.213 Uiso 0.5 1 d R U P . .
O12W O 0.0053(6) 0.1805(12) 0.5336(12) 0.156(10) Uani 0.5 1 d . . P . .
H12C H 0.005734 0.163882 0.477988 0.234 Uiso 0.5 1 d R U P . .
H12D H 0.030084 0.200592 0.557968 0.234 Uiso 0.5 1 d R U P . .
O13W O 0.3587(11) 0.250000 0.550(2) 0.139(10) Uani 0.5 2 d S TU P . .
H13C H 0.367658 0.217110 0.519731 0.208 Uiso 0.5 1 d R U P . .
O14W O 0.1613(18) 0.750000 0.683(3) 0.26(2) Uani 0.5 2 d S TU P . .
H14C H 0.149545 0.782900 0.656003 0.392 Uiso 0.5 1 d R U P . .
O10W O 0.4920(7) 0.8771(12) 0.8318(16) 0.162(9) Uani 0.5 1 d . . P . .
H10A H 0.486206 0.892524 0.887151 0.242 Uiso 0.5 1 d R U P . .
H10B H 0.519406 0.892444 0.809581 0.242 Uiso 0.5 1 d R U P . .


_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 O15 2.004(3) . ?
Co1 O14 2.019(5) 2_575 ?
Co1 O12 2.038(12) 2_574 ?
Co1 O12' 2.136(14) 2_574 ?
Co1 O3 2.137(4) . ?
Co1 O1 2.187(4) . ?
Co1 O1W 2.225(4) . ?
Co2 O13 2.041(4) 2_575 ?
Co2 O6 2.100(5) . ?
Co2 O3 2.105(4) . ?
Co2 O2W 2.116(4) . ?
Co2 O3W 2.136(5) . ?
Co2 O1 2.140(4) . ?
Co3 O7 1.948(4) . ?
Co3 O5 1.981(4) 5_676 ?
Co3 O4W 1.993(6) . ?
Co3 O6 2.015(5) 5_676 ?
Co3 P3 2.830(2) 5_676 ?
Co4 O11 2.023(8) 7_655 ?
Co4 O11 2.023(8) 2_574 ?
Co4 O15 2.024(6) . ?
Co4 O4 2.107(4) 8_575 ?
Co4 O4 2.107(4) . ?
Co5 O6W 2.074(7) . ?
Co5 O5W 2.097(5) . ?
Co5 O5W 2.097(5) 8_575 ?
Co5 O4 2.139(4) 8_575 ?
Co5 O4 2.139(4) . ?
P1 O1 1.48(3) . ?
P1 O2 1.518(7) . ?
P1 C1 1.863(6) . ?
C1 C2 1.3900 . ?
C1 C10 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2A 0.9300 . ?
C3 C4 1.3900 . ?
C3 H3A 0.9300 . ?
C4 C5 1.3900 . ?
C4 C11 1.533(15) . ?
C5 C10 1.3900 . ?
C5 C6 1.472(15) . ?
C10 C9 1.430(14) . ?
C6 C7 1.323(19) . ?
C6 H6A 0.9301 . ?
C7 C8 1.41(2) . ?
C7 H7A 0.9300 . ?
C8 C9 1.33(2) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C11 O9 1.258(14) . ?
C11 O10 1.280(14) . ?
P2 O5 1.528(4) . ?
P2 O4 1.535(4) . ?
P2 O3 1.537(4) . ?
P2 C12 1.809(6) . ?
P3 O8 1.508(5) . ?
P3 O7 1.516(5) . ?
P3 O6 1.550(4) . ?
P3 C23' 1.81(2) . ?
P3 C23 1.83(2) . ?
C12 C13 1.379(9) . ?
C12 C21 1.429(9) . ?
C13 C14 1.399(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.350(10) . ?
C14 H14A 0.9300 . ?
C15 C16 1.431(9) . ?
C15 C22 1.513(9) . ?
C16 C17 1.418(9) . ?
C16 C21 1.434(8) . ?
C17 C18 1.357(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.400(11) . ?
C18 H18A 0.9300 . ?
C19 C20 1.361(10) . ?
C19 H19A 0.9300 . ?
C20 C21 1.413(9) . ?
C20 H20A 0.9300 . ?
C22 O13 1.245(8) . ?
C22 O14 1.258(8) . ?
C23 C36 1.412(8) . ?
C23 C24 1.415(8) . ?
C24 C25 1.414(8) . ?
C24 C29 1.419(7) . ?
C25 C26 1.406(8) . ?
C25 H25A 0.9300 . ?
C26 C27 1.405(8) . ?
C26 H26A 0.9300 . ?
C27 C28 1.403(8) . ?
C27 H27A 0.9300 . ?
C28 C29 1.411(8) . ?
C28 H28A 0.9300 . ?
C29 C30 1.406(7) . ?
C30 C31 1.405(7) . ?
C30 C37 1.520(13) . ?
C31 C36 1.403(8) . ?
C31 H31A 0.9300 . ?
C36 H36A 0.9300 . ?
C37 O12 1.219(18) . ?
C37 O11 1.248(15) . ?
C23' C24' 1.406(8) . ?
C23' C36' 1.409(8) . ?
C24' C29' 1.402(8) . ?
C24' H24A 0.9300 . ?
C29' C30' 1.403(7) . ?
C29' H29A 0.9300 . ?
C30' C31' 1.401(7) . ?
C30' C37' 1.523(13) . ?
C31' C32 1.404(8) . ?
C31' C36' 1.411(8) . ?
C36' C35 1.403(8) . ?
C32 C33 1.398(8) . ?
C32 H32A 0.9303 . ?
C33 C34 1.398(8) . ?
C33 H33A 0.9300 . ?
C34 C35 1.391(8) . ?
C34 H34A 0.9299 . ?
C35 H35A 0.9300 . ?
C37' O12' 1.230(18) . ?
C37' O11' 1.268(16) . ?
O11' O11' 1.59(2) 8_585 ?
O15 H15A 0.8498 . ?
O1W H1WA 0.8499 . ?
O1W H1WB 0.8501 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8499 . ?
O3W H3WA 0.8502 . ?
O3W H3WB 0.8500 . ?
O4W H4WA 0.8499 . ?
O4W H4WB 0.8501 . ?
O5W H5WA 0.8500 . ?
O5W H5WB 0.8501 . ?
O6W H6WA 0.8500 . ?
O6W H6WA 0.8499 8_575 ?
O7W H7WA 0.8500 . ?
O7W H7WB 0.8500 . ?
O7W H7WB 0.8500 8_565 ?
O8W H8WA 0.8500 . ?
O8W H8WB 0.8498 . ?
O8W H8WB 0.8499 8_565 ?
O9W H9WA 0.8514 . ?
O9W H9WB 0.8512 . ?
O11W H11C 0.8500 . ?
O11W H11D 0.8500 . ?
O12W H12C 0.8499 . ?
O12W H12D 0.8502 . ?
O13W H13C 0.8481 . ?
O13W H13C 0.8481 8_565 ?
O14W H14C 0.8504 . ?
O14W H14C 0.8503 8_575 ?
O10W H10A 0.8500 . ?
O10W H10B 0.8499 . ?

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
O15 Co1 O14 171.0(2) . 2_575 ?
O15 Co1 O12 99.8(3) . 2_574 ?
O14 Co1 O12 80.3(3) 2_575 2_574 ?
O15 Co1 O12' 83.5(4) . 2_574 ?
O14 Co1 O12' 97.3(4) 2_575 2_574 ?
O12 Co1 O12' 17.2(4) 2_574 2_574 ?
O15 Co1 O3 91.42(17) . . ?
O14 Co1 O3 97.53(18) 2_575 . ?
O12 Co1 O3 97.3(4) 2_574 . ?
O12' Co1 O3 92.2(4) 2_574 . ?
O15 Co1 O1 86.59(19) . . ?
O14 Co1 O1 93.50(18) 2_575 . ?
O12 Co1 O1 173.5(3) 2_574 . ?
O3 Co1 O1 81.36(16) . . ?
O15 Co1 O1W 79.58(17) . . ?
O14 Co1 O1W 91.43(18) 2_575 . ?
O12 Co1 O1W 86.1(4) 2_574 . ?
O12' Co1 O1W 88.6(4) 2_574 . ?
O3 Co1 O1W 170.83(16) . . ?
O1 Co1 O1W 96.21(19) . . ?
O13 Co2 O6 92.68(18) 2_575 . ?
O13 Co2 O3 93.09(18) 2_575 . ?
O6 Co2 O3 92.02(17) . . ?
O13 Co2 O2W 173.42(19) 2_575 . ?
O6 Co2 O2W 86.68(17) . . ?
O3 Co2 O2W 93.48(17) . . ?
O13 Co2 O3W 84.8(2) 2_575 . ?
O6 Co2 O3W 92.3(2) . . ?
O3 Co2 O3W 175.2(2) . . ?
O2W Co2 O3W 88.7(2) . . ?
O13 Co2 O1 91.39(17) 2_575 . ?
O6 Co2 O1 173.88(17) . . ?
O3 Co2 O1 83.21(16) . . ?
O2W Co2 O1 89.79(17) . . ?
O3W Co2 O1 92.57(19) . . ?
O7 Co3 O5 100.81(19) . 5_676 ?
O7 Co3 O4W 108.5(3) . . ?
O5 Co3 O4W 104.3(2) 5_676 . ?
O7 Co3 O6 122.6(2) . 5_676 ?
O5 Co3 O6 101.50(17) 5_676 5_676 ?
O4W Co3 O6 115.8(3) . 5_676 ?
O7 Co3 P3 101.14(15) . 5_676 ?
O5 Co3 P3 132.12(13) 5_676 5_676 ?
O4W Co3 P3 108.1(2) . 5_676 ?
O6 Co3 P3 32.06(12) 5_676 5_676 ?
O11 Co4 O11 64.6(5) 7_655 2_574 ?
O11 Co4 O15 101.1(3) 7_655 . ?
O11 Co4 O15 101.1(3) 2_574 . ?
O11 Co4 O4 102.3(3) 7_655 8_575 ?
O11 Co4 O4 166.4(3) 2_574 8_575 ?
O15 Co4 O4 84.76(16) . 8_575 ?
O11 Co4 O4 166.4(3) 7_655 . ?
O11 Co4 O4 102.3(3) 2_574 . ?
O15 Co4 O4 84.76(16) . . ?
O4 Co4 O4 90.4(2) 8_575 . ?
O6W Co5 O5W 89.4(2) . . ?
O6W Co5 O5W 89.4(2) . 8_575 ?
O5W Co5 O5W 92.4(3) . 8_575 ?
O6W Co5 O4 86.7(2) . 8_575 ?
O5W Co5 O4 89.30(17) . 8_575 ?
O5W Co5 O4 175.72(19) 8_575 8_575 ?
O6W Co5 O4 86.7(2) . . ?
O5W Co5 O4 175.72(19) . . ?
O5W Co5 O4 89.30(17) 8_575 . ?
O4 Co5 O4 88.7(2) 8_575 . ?
O1 P1 O2 111.0(19) . . ?
O1 P1 C1 113.7(12) . . ?
O2 P1 C1 105.1(4) . . ?
P1 O1 Co2 128.4(6) . . ?
P1 O1 Co1 134.8(7) . . ?
Co2 O1 Co1 90.74(15) . . ?
C2 C1 C10 120.0 . . ?
C2 C1 P1 111.6(6) . . ?
C10 C1 P1 128.4(6) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 C11 111.6(17) . . ?
C5 C4 C11 128.2(15) . . ?
C10 C5 C4 120.0 . . ?
C10 C5 C6 119.1(7) . . ?
C4 C5 C6 120.9(7) . . ?
C5 C10 C1 120.0 . . ?
C5 C10 C9 116.4(8) . . ?
C1 C10 C9 123.5(7) . . ?
C7 C6 C5 120.4(12) . . ?
C7 C6 H6A 119.5 . . ?
C5 C6 H6A 120.1 . . ?
C6 C7 C8 121.0(14) . . ?
C6 C7 H7A 119.8 . . ?
C8 C7 H7A 119.1 . . ?
C9 C8 C7 119.3(14) . . ?
C9 C8 H8A 120.4 . . ?
C7 C8 H8A 120.4 . . ?
C8 C9 C10 123.7(12) . . ?
C8 C9 H9A 118.1 . . ?
C10 C9 H9A 118.1 . . ?
O9 C11 O10 123.2(16) . . ?
O9 C11 C4 118.5(8) . . ?
O10 C11 C4 118.1(8) . . ?
O5 P2 O4 109.1(2) . . ?
O5 P2 O3 111.6(2) . . ?
O4 P2 O3 112.4(2) . . ?
O5 P2 C12 107.5(3) . . ?
O4 P2 C12 108.9(3) . . ?
O3 P2 C12 107.1(3) . . ?
O8 P3 O7 113.5(3) . . ?
O8 P3 O6 106.3(3) . . ?
O7 P3 O6 110.7(3) . . ?
O8 P3 C23' 107.5(10) . . ?
O7 P3 C23' 112.9(5) . . ?
O6 P3 C23' 105.4(9) . . ?
O8 P3 C23 113.2(10) . . ?
O7 P3 C23 103.2(5) . . ?
O6 P3 C23 109.9(9) . . ?
O8 P3 Co3 64.5(2) . 5_676 ?
O7 P3 Co3 116.15(19) . 5_676 ?
O6 P3 Co3 43.62(18) . 5_676 ?
C23 P3 Co3 138.0(5) . 5_676 ?
C13 C12 C21 119.1(6) . . ?
C13 C12 P2 118.7(5) . . ?
C21 C12 P2 122.2(5) . . ?
C12 C13 C14 121.2(6) . . ?
C12 C13 H13A 119.4 . . ?
C14 C13 H13A 119.4 . . ?
C15 C14 C13 121.4(6) . . ?
C15 C14 H14A 119.3 . . ?
C13 C14 H14A 119.3 . . ?
C14 C15 C16 120.3(6) . . ?
C14 C15 C22 118.8(6) . . ?
C16 C15 C22 120.9(6) . . ?
C17 C16 C15 122.9(6) . . ?
C17 C16 C21 118.4(6) . . ?
C15 C16 C21 118.6(6) . . ?
C18 C17 C16 121.4(7) . . ?
C18 C17 H17A 119.3 . . ?
C16 C17 H17A 119.3 . . ?
C17 C18 C19 120.1(7) . . ?
C17 C18 H18A 119.9 . . ?
C19 C18 H18A 119.9 . . ?
C20 C19 C18 120.6(7) . . ?
C20 C19 H19A 119.7 . . ?
C18 C19 H19A 119.7 . . ?
C19 C20 C21 121.5(7) . . ?
C19 C20 H20A 119.3 . . ?
C21 C20 H20A 119.3 . . ?
C20 C21 C12 122.7(6) . . ?
C20 C21 C16 118.0(6) . . ?
C12 C21 C16 119.2(6) . . ?
O13 C22 O14 125.4(6) . . ?
O13 C22 C15 117.3(6) . . ?
O14 C22 C15 117.2(6) . . ?
C36 C23 C24 119.3(17) . . ?
C36 C23 P3 106.6(11) . . ?
C24 C23 P3 133.8(12) . . ?
C25 C24 C23 118.0(11) . . ?
C25 C24 C29 121.5(13) . . ?
C23 C24 C29 120.4(14) . . ?
C26 C25 C24 121.6(13) . . ?
C26 C25 H25A 119.2 . . ?
C24 C25 H25A 119.2 . . ?
C27 C26 C25 118.1(13) . . ?
C27 C26 H26A 120.9 . . ?
C25 C26 H26A 120.9 . . ?
C28 C27 C26 119.1(13) . . ?
C28 C27 H27A 120.4 . . ?
C26 C27 H27A 120.4 . . ?
C27 C28 C29 124.7(12) . . ?
C27 C28 H28A 117.6 . . ?
C29 C28 H28A 117.6 . . ?
C30 C29 C28 125.4(10) . . ?
C30 C29 C24 119.7(10) . . ?
C28 C29 C24 114.8(11) . . ?
C31 C30 C29 119.5(10) . . ?
C31 C30 C37 119.5(7) . . ?
C29 C30 C37 120.6(7) . . ?
C36 C31 C30 121.2(13) . . ?
C36 C31 H31A 119.4 . . ?
C30 C31 H31A 119.4 . . ?
C31 C36 C23 119.8(16) . . ?
C31 C36 H36A 120.1 . . ?
C23 C36 H36A 120.1 . . ?
O12 C37 O11 128.5(13) . . ?
O12 C37 C30 118.8(11) . . ?
O11 C37 C30 112.6(11) . . ?
C37 O11 Co4 131.9(9) . 2_575 ?
C37 O12 Co1 134.1(10) . 2_575 ?
C24' C23' C36' 118.5(18) . . ?
C24' C23' P3 110.3(12) . . ?
C36' C23' P3 131.1(12) . . ?
C29' C24' C23' 119.9(17) . . ?
C29' C24' H24A 120.1 . . ?
C23' C24' H24A 120.1 . . ?
C24' C29' C30' 121.1(14) . . ?
C24' C29' H29A 119.5 . . ?
C30' C29' H29A 119.5 . . ?
C31' C30' C29' 120.0(10) . . ?
C31' C30' C37' 120.7(8) . . ?
C29' C30' C37' 119.1(7) . . ?
C30' C31' C32 125.8(10) . . ?
C30' C31' C36' 118.5(11) . . ?
C32 C31' C36' 115.7(12) . . ?
C35 C36' C23' 116.2(12) . . ?
C35 C36' C31' 121.7(14) . . ?
C23' C36' C31' 122.0(15) . . ?
C33 C32 C31' 123.0(12) . . ?
C33 C32 H32A 118.6 . . ?
C31' C32 H32A 118.5 . . ?
C32 C33 C34 120.1(13) . . ?
C32 C33 H33A 119.6 . . ?
C34 C33 H33A 120.3 . . ?
C35 C34 C33 118.3(13) . . ?
C35 C34 H34A 121.2 . . ?
C33 C34 H34A 120.5 . . ?
C34 C35 C36' 121.1(13) . . ?
C34 C35 H35A 119.4 . . ?
C36' C35 H35A 119.4 . . ?
O12' C37' O11' 122.4(12) . . ?
O12' C37' C30' 120.3(14) . . ?
O11' C37' C30' 116.8(12) . . ?
P2 O3 Co2 132.8(2) . . ?
P2 O3 Co1 127.9(2) . . ?
Co2 O3 Co1 93.10(16) . . ?
P2 O4 Co4 130.2(2) . . ?
P2 O4 Co5 136.0(2) . . ?
Co4 O4 Co5 89.27(15) . . ?
P2 O5 Co3 125.8(3) . 5_676 ?
P3 O6 Co3 104.3(2) . 5_676 ?
P3 O6 Co2 129.6(3) . . ?
Co3 O6 Co2 122.6(2) 5_676 . ?
P3 O7 Co3 124.0(3) . . ?
C22 O13 Co2 132.4(4) . 2_574 ?
C22 O14 Co1 126.3(4) . 2_574 ?
Co1 O15 Co1 105.2(2) . 8_575 ?
Co1 O15 Co4 116.45(17) . . ?
Co1 O15 Co4 116.45(17) 8_575 . ?
Co1 O15 H15A 105.9 . . ?
Co1 O15 H15A 105.9 8_575 . ?
Co4 O15 H15A 105.9 . . ?
Co1 O1W Co1 91.3(2) 8_575 . ?
Co1 O1W H1WA 113.6 8_575 . ?
Co1 O1W H1WA 113.6 . . ?
Co1 O1W H1WB 113.2 8_575 . ?
Co1 O1W H1WB 113.2 . . ?
H1WA O1W H1WB 110.7 . . ?
Co2 O2W H2WA 109.3 . . ?
Co2 O2W H2WB 109.5 . . ?
H2WA O2W H2WB 109.5 . . ?
Co2 O3W H3WA 109.3 . . ?
Co2 O3W H3WB 109.1 . . ?
H3WA O3W H3WB 109.5 . . ?
Co3 O4W H4WA 108.9 . . ?
Co3 O4W H4WB 109.5 . . ?
H4WA O4W H4WB 109.5 . . ?
Co5 O5W H5WA 95.6 . . ?
Co5 O5W H5WB 98.4 . . ?
H5WA O5W H5WB 118.5 . . ?
Co5 O6W H6WA 109.5 . . ?
Co5 O6W H6WA 109.52(11) . 8_575 ?
H6WA O6W H6WA 109.5 . 8_575 ?
H7WA O7W H7WB 91.6 . . ?
H7WA O7W H7WB 91.6 . 8_565 ?
H7WB O7W H7WB 114.3 . 8_565 ?
H8WA O8W H8WB 110.8 . . ?
H8WA O8W H8WB 110.8 . 8_565 ?
H8WB O8W H8WB 61.4 . 8_565 ?
H9WA O9W H9WB 110.7 . . ?
H11C O11W H11D 116.1 . . ?
H12C O12W H12D 124.2 . . ?
H13C O13W H13C 111.2 . 8_565 ?
H14C O14W H14C 110.8 . 8_575 ?
H10A O10W H10B 109.5 . . ?

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 P1 O1 Co2 -21.3(14) . . . . ?
C1 P1 O1 Co2 96.8(6) . . . . ?
O2 P1 O1 Co1 122.7(12) . . . . ?
C1 P1 O1 Co1 -119.1(9) . . . . ?
O1 P1 C1 C2 -94.6(7) . . . . ?
O2 P1 C1 C2 27(2) . . . . ?
O1 P1 C1 C10 85.5(17) . . . . ?
O2 P1 C1 C10 -153.0(18) . . . . ?
C10 C1 C2 C3 0.0 . . . . ?
P1 C1 C2 C3 180.0(12) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C2 C3 C4 C11 -176(3) . . . . ?
C3 C4 C5 C10 0.0 . . . . ?
C11 C4 C5 C10 175(4) . . . . ?
C3 C4 C5 C6 178.1(11) . . . . ?
C11 C4 C5 C6 -7(4) . . . . ?
C4 C5 C10 C1 0.0 . . . . ?
C6 C5 C10 C1 -178.1(11) . . . . ?
C4 C5 C10 C9 177.8(10) . . . . ?
C6 C5 C10 C9 -0.3(13) . . . . ?
C2 C1 C10 C5 0.0 . . . . ?
P1 C1 C10 C5 180.0(14) . . . . ?
C2 C1 C10 C9 -177.7(11) . . . . ?
P1 C1 C10 C9 2.3(15) . . . . ?
C10 C5 C6 C7 -1(2) . . . . ?
C4 C5 C6 C7 -179.1(13) . . . . ?
C5 C6 C7 C8 0(3) . . . . ?
C6 C7 C8 C9 2(3) . . . . ?
C7 C8 C9 C10 -4(3) . . . . ?
C5 C10 C9 C8 3(2) . . . . ?
C1 C10 C9 C8 -179.5(14) . . . . ?
C3 C4 C11 O9 148(5) . . . . ?
C5 C4 C11 O9 -27(8) . . . . ?
C3 C4 C11 O10 -27(7) . . . . ?
C5 C4 C11 O10 158(4) . . . . ?
O5 P2 C12 C13 -115.9(5) . . . . ?
O4 P2 C12 C13 126.0(5) . . . . ?
O3 P2 C12 C13 4.2(6) . . . . ?
O5 P2 C12 C21 61.8(6) . . . . ?
O4 P2 C12 C21 -56.3(6) . . . . ?
O3 P2 C12 C21 -178.1(5) . . . . ?
C21 C12 C13 C14 1.4(10) . . . . ?
P2 C12 C13 C14 179.2(5) . . . . ?
C12 C13 C14 C15 -3.4(11) . . . . ?
C13 C14 C15 C16 2.2(11) . . . . ?
C13 C14 C15 C22 -176.9(6) . . . . ?
C14 C15 C16 C17 179.1(7) . . . . ?
C22 C15 C16 C17 -1.8(10) . . . . ?
C14 C15 C16 C21 0.8(10) . . . . ?
C22 C15 C16 C21 179.9(6) . . . . ?
C15 C16 C17 C18 -178.8(8) . . . . ?
C21 C16 C17 C18 -0.5(11) . . . . ?
C16 C17 C18 C19 0.9(13) . . . . ?
C17 C18 C19 C20 -0.8(14) . . . . ?
C18 C19 C20 C21 0.2(13) . . . . ?
C19 C20 C21 C12 -178.7(7) . . . . ?
C19 C20 C21 C16 0.2(11) . . . . ?
C13 C12 C21 C20 -179.5(6) . . . . ?
P2 C12 C21 C20 2.8(9) . . . . ?
C13 C12 C21 C16 1.6(9) . . . . ?
P2 C12 C21 C16 -176.1(5) . . . . ?
C17 C16 C21 C20 -0.1(10) . . . . ?
C15 C16 C21 C20 178.3(6) . . . . ?
C17 C16 C21 C12 178.9(6) . . . . ?
C15 C16 C21 C12 -2.7(9) . . . . ?
C14 C15 C22 O13 -51.5(9) . . . . ?
C16 C15 C22 O13 129.4(7) . . . . ?
C14 C15 C22 O14 125.8(7) . . . . ?
C16 C15 C22 O14 -53.4(9) . . . . ?
O8 P3 C23 C36 67(2) . . . . ?
O7 P3 C23 C36 -170.3(17) . . . . ?
O6 P3 C23 C36 -52(2) . . . . ?
Co3 P3 C23 C36 -11(3) 5_676 . . . ?
O8 P3 C23 C24 -107(3) . . . . ?
O7 P3 C23 C24 16(3) . . . . ?
O6 P3 C23 C24 135(3) . . . . ?
Co3 P3 C23 C24 176(2) 5_676 . . . ?
C36 C23 C24 C25 179(2) . . . . ?
P3 C23 C24 C25 -8(5) . . . . ?
C36 C23 C24 C29 1(4) . . . . ?
P3 C23 C24 C29 174(3) . . . . ?
C23 C24 C25 C26 180(2) . . . . ?
C29 C24 C25 C26 -2(3) . . . . ?
C24 C25 C26 C27 1(3) . . . . ?
C25 C26 C27 C28 2(3) . . . . ?
C26 C27 C28 C29 -3(3) . . . . ?
C27 C28 C29 C30 -178(2) . . . . ?
C27 C28 C29 C24 1(3) . . . . ?
C25 C24 C29 C30 -179(2) . . . . ?
C23 C24 C29 C30 -2(4) . . . . ?
C25 C24 C29 C28 1(3) . . . . ?
C23 C24 C29 C28 179(3) . . . . ?
C28 C29 C30 C31 -179(2) . . . . ?
C24 C29 C30 C31 2(3) . . . . ?
C28 C29 C30 C37 -6(3) . . . . ?
C24 C29 C30 C37 175(2) . . . . ?
C29 C30 C31 C36 -1(3) . . . . ?
C37 C30 C31 C36 -175(2) . . . . ?
C30 C31 C36 C23 1(3) . . . . ?
C24 C23 C36 C31 -1(4) . . . . ?
P3 C23 C36 C31 -175.2(18) . . . . ?
C31 C30 C37 O12 144.8(19) . . . . ?
C29 C30 C37 O12 -29(3) . . . . ?
C31 C30 C37 O11 -32(3) . . . . ?
C29 C30 C37 O11 154.8(19) . . . . ?
O12 C37 O11 Co4 2(2) . . . 2_575 ?
C30 C37 O11 Co4 178.5(11) . . . 2_575 ?
O11 C37 O12 Co1 -2(3) . . . 2_575 ?
C30 C37 O12 Co1 -177.3(12) . . . 2_575 ?
O8 P3 C23' C24' -114(2) . . . . ?
O7 P3 C23' C24' 12(3) . . . . ?
O6 P3 C23' C24' 133(2) . . . . ?
Co3 P3 C23' C24' 174.7(15) 5_676 . . . ?
O8 P3 C23' C36' 61(3) . . . . ?
O7 P3 C23' C36' -173(3) . . . . ?
O6 P3 C23' C36' -52(3) . . . . ?
Co3 P3 C23' C36' -10(4) 5_676 . . . ?
C36' C23' C24' C29' 0(4) . . . . ?
P3 C23' C24' C29' 175(2) . . . . ?
C23' C24' C29' C30' 1(4) . . . . ?
C24' C29' C30' C31' 0(3) . . . . ?
C24' C29' C30' C37' -176(2) . . . . ?
C29' C30' C31' C32 -178(2) . . . . ?
C37' C30' C31' C32 -2(3) . . . . ?
C29' C30' C31' C36' -1(3) . . . . ?
C37' C30' C31' C36' 175(2) . . . . ?
C24' C23' C36' C35 -178(3) . . . . ?
P3 C23' C36' C35 7(4) . . . . ?
C24' C23' C36' C31' 0(4) . . . . ?
P3 C23' C36' C31' -175(2) . . . . ?
C30' C31' C36' C35 178(2) . . . . ?
C32 C31' C36' C35 -4(3) . . . . ?
C30' C31' C36' C23' 1(4) . . . . ?
C32 C31' C36' C23' 179(2) . . . . ?
C30' C31' C32 C33 -179(2) . . . . ?
C36' C31' C32 C33 4(3) . . . . ?
C31' C32 C33 C34 -2(3) . . . . ?
C32 C33 C34 C35 0(2) . . . . ?
C33 C34 C35 C36' 0(3) . . . . ?
C23' C36' C35 C34 -180(2) . . . . ?
C31' C36' C35 C34 3(3) . . . . ?
C31' C30' C37' O12' 52(3) . . . . ?
C29' C30' C37' O12' -131.9(19) . . . . ?
C31' C30' C37' O11' -136.0(19) . . . . ?
C29' C30' C37' O11' 40(3) . . . . ?
O12' C37' O11' O11' -76.0(17) . . . 8_585 ?
C30' C37' O11' O11' 112.3(11) . . . 8_585 ?
O11' C37' O12' Co1 -25(2) . . . 2_575 ?
C30' C37' O12' Co1 146.4(11) . . . 2_575 ?
O5 P2 O3 Co2 -13.2(4) . . . . ?
O4 P2 O3 Co2 109.8(3) . . . . ?
C12 P2 O3 Co2 -130.5(3) . . . . ?
O5 P2 O3 Co1 -157.5(3) . . . . ?
O4 P2 O3 Co1 -34.5(4) . . . . ?
C12 P2 O3 Co1 85.1(3) . . . . ?
O5 P2 O4 Co4 172.8(3) . . . . ?
O3 P2 O4 Co4 48.4(4) . . . . ?
C12 P2 O4 Co4 -70.2(4) . . . . ?
O5 P2 O4 Co5 24.6(4) . . . . ?
O3 P2 O4 Co5 -99.8(4) . . . . ?
C12 P2 O4 Co5 141.7(3) . . . . ?
O4 P2 O5 Co3 -172.7(3) . . . 5_676 ?
O3 P2 O5 Co3 -47.8(4) . . . 5_676 ?
C12 P2 O5 Co3 69.3(4) . . . 5_676 ?
O8 P3 O6 Co3 17.1(3) . . . 5_676 ?
O7 P3 O6 Co3 -106.6(3) . . . 5_676 ?
C23' P3 O6 Co3 130.9(8) . . . 5_676 ?
C23 P3 O6 Co3 139.9(8) . . . 5_676 ?
O8 P3 O6 Co2 176.1(3) . . . . ?
O7 P3 O6 Co2 52.4(4) . . . . ?
C23' P3 O6 Co2 -70.1(9) . . . . ?
C23 P3 O6 Co2 -61.1(9) . . . . ?
Co3 P3 O6 Co2 159.0(4) 5_676 . . . ?
O8 P3 O7 Co3 -18.2(5) . . . . ?
O6 P3 O7 Co3 101.2(4) . . . . ?
C23' P3 O7 Co3 -140.9(12) . . . . ?
C23 P3 O7 Co3 -141.2(11) . . . . ?
Co3 P3 O7 Co3 53.8(4) 5_676 . . . ?
O14 C22 O13 Co2 4.4(12) . . . 2_574 ?
C15 C22 O13 Co2 -178.6(5) . . . 2_574 ?
O13 C22 O14 Co1 -6.9(11) . . . 2_574 ?
C15 C22 O14 Co1 176.1(5) . . . 2_574 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O15 H15A O6W 0.85 2.33 3.135(10) 158.4 . yes
O1W H1WA O11'^b 0.85 1.86 2.585(11) 141.9 2_574 yes
O1W H1WB O14W 0.85 2.22 2.84(4) 129.7 . yes
O2W H2WA O2^a 0.85 1.78 2.56(3) 152.3 . yes
O2W H2WB O8 0.85 1.93 2.701(6) 150.9 5_676 yes
O3W H3WA O7 0.85 2.22 2.957(8) 144.8 . yes
O3W H3WB O10W 0.85 2.23 2.81(2) 125.6 . yes
O4W H4WB O11W 0.85 2.08 2.81(2) 144.5 5_666 yes
O5W H5WA O5 0.85 1.92 2.768(6) 179.0 8_575 yes
O5W H5WB O12W 0.85 2.11 2.961(18) 179.6 7_665 yes
O6W H6WA O2W 0.85 2.12 2.778(6) 133.9 . yes
O7W H7WA O2^a 0.85 1.88 2.73(2) 176.5 5_666 yes
O7W H7WB O10W 0.85 2.37 3.22(3) 179.0 5_666 yes
O8W H8WA O13W 0.85 2.09 2.93(3) 171.4 . yes
O8W H8WB O5W 0.85 2.05 2.838(10) 153.2 5_666 yes
O9W H9WA O14 0.85 2.26 3.052(19) 155.7 1_545 yes
O9W H9WB O4W 0.85 2.24 3.06(3) 161.6 5_666 yes
O10W H10A O12W 0.85 2.57 3.06(3) 117.9 2_565 yes
O11W H11C O7W 0.85 2.12 2.97(3) 179.8 . yes
O11W H11D O8 0.85 1.86 2.713(18) 179.3 1_545 yes
O12W H12C O10W 0.85 2.21 3.06(3) 178.5 2_564 yes
O12W H12D O10^a 0.85 2.01 2.86(2) 175.8 2_564 yes
O13W H13C O11W 0.85 2.14 2.90(3) 149.0 . yes
O14W H14C O9W 0.85 1.88 2.65(2) 150.2 2_565 yes

_refine_diff_density_max         1.101
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.137



