#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:39:26 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293101 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/57/7715724.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_7715724
loop_
_publ_author_name
'Dan, Wenyan'
'Chen, Zhenxia'
'Ling, Yun'
'Jia, Yu'
'Yang, Yongtai'
'Liu, Xiaofeng'
'Deng, Mingli'
_publ_section_title
;
 Discovery of two predictable (3,18)-connected topologies based on
 Wells-Dawson type cages for the design of porous metal
 phosphonocarboxylate frameworks.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7734
_journal_page_last               7741
_journal_paper_doi               10.1039/d4dt00590b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C84 H42 Co12 O42 P6, 0.833(H6 O3)'
_chemical_formula_sum            'C84 H47 Co12 O44.5 P6'
_chemical_formula_weight         2661.19
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2023-09-05
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_audit_update_record
;
2023-09-13 deposited with the CCDC.	2024-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   17.417(3)
_cell_length_b                   17.417(3)
_cell_length_c                   37.879(6)
_cell_measurement_reflns_used    6452
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.306
_cell_measurement_theta_min      2.338
_cell_volume                     9951(3)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5052
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_min         2.540
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.598
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6099
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0784 before and 0.0582 after correction.
The Ratio of minimum to maximum transmission is 0.8180.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_description       block
_exptl_crystal_F_000             3963
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.526
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         5052
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.278
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0566
_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)+(0.0876P)²+123.5752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1729
_refine_ls_wR_factor_ref         0.1952
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3685
_reflns_number_total             5052
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00590b2.cif
_cod_data_source_block           mo_5013b_0m_a
_cod_depositor_comments
'Adding full bibliography for 7715722--7715727.cif.'
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C84 H47 Co12 O44.50 P6'
_cod_database_code               7715724
_shelx_shelxl_version_number     2019/1
_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.
;
_shelx_estimated_absorpt_t_max   0.819
_shelx_estimated_absorpt_t_min   0.681
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H) groups
2. Restrained distances
 H9A-O9 = H9A-H9B
 0.85 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O9) \\sim Ueq: with sigma of 0.006 and sigma for terminal atoms of 0.012
4. Others
 Fixed Sof: O8(0.16667) H8A(0.16667) H8B(0.16667) O9(0.25) H9A(0.25) H9B(0.25)
5.a Riding coordinates:
 O8(H8A,H8B), O9(H9A,H9B)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C10(H10), C12(H12)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
P1 P 0.34093(8) 0.49763(8) 0.61471(3) 0.0209(3) Uani 1 1 d . . . . .
O1 O 0.3445(3) 0.4869(3) 0.65380(10) 0.0349(9) Uani 1 1 d . . . . .
C1 C 0.3520(4) 0.4114(4) 0.59393(14) 0.0272(11) Uani 1 1 d . . . . .
Co2 Co 0.53909(5) 0.33836(5) 0.44251(2) 0.0225(2) Uani 1 1 d . . . . .
O2 O 0.2539(2) 0.4907(3) 0.60333(10) 0.0271(8) Uani 1 1 d . . . . .
C2 C 0.2810(5) 0.3255(5) 0.5934(3) 0.069(3) Uani 1 1 d . . . . .
H2 H 0.225449 0.313337 0.601251 0.083 Uiso 1 1 calc R U . . .
O3 O 0.4215(2) 0.5864(2) 0.60256(9) 0.0228(7) Uani 1 1 d . . . . .
C3 C 0.2939(5) 0.2566(5) 0.5807(3) 0.067(3) Uani 1 1 d . . . . .
H3 H 0.246897 0.198583 0.581053 0.081 Uiso 1 1 calc R U . . .
O4 O 0.5588(3) 0.2482(3) 0.46581(10) 0.0304(8) Uani 1 1 d . . . . .
C4 C 0.3739(4) 0.2734(4) 0.56786(16) 0.0341(13) Uani 1 1 d . . . . .
O5 O 0.5714(3) 0.1351(3) 0.48183(10) 0.0309(8) Uani 1 1 d . . . . .
C5 C 0.4430(5) 0.3613(4) 0.5666(2) 0.055(2) Uani 1 1 d . . . . .
H5 H 0.497397 0.374485 0.557020 0.066 Uiso 1 1 calc R U . . .
O6 O 0.3375(3) -0.0370(3) 0.60945(11) 0.0344(9) Uani 1 1 d . . . . .
C6 C 0.4309(5) 0.4288(4) 0.5796(2) 0.0488(18) Uani 1 1 d . . . . .
H6 H 0.477405 0.487061 0.578450 0.059 Uiso 1 1 calc R U . . .
O7 O 0.3152(3) -0.0987(3) 0.55603(10) 0.0319(9) Uani 1 1 d . . . . .
C7 C 0.3898(4) 0.2014(4) 0.55440(17) 0.0340(12) Uani 1 1 d . . . . .
O8 O 0.666667 0.333333 0.5693(8) 0.102(9) Uani 0.5 3 d S T P A 1
H8A H 0.722980 0.356010 0.575760 0.122 Uiso 0.1667 1 d R U P A 1
H8B H 0.646540 0.290210 0.584280 0.122 Uiso 0.1667 1 d R U P A 1
C8 C 0.3557(4) 0.1198(4) 0.57148(15) 0.0331(12) Uani 1 1 d . . . . .
H8 H 0.321776 0.108697 0.591804 0.040 Uiso 1 1 calc R U . . .
C9 C 0.3723(4) 0.0550(4) 0.55826(15) 0.0297(11) Uani 1 1 d . . . . .
C10 C 0.4278(4) 0.0734(3) 0.52888(14) 0.0262(10) Uani 1 1 d . . . . .
H10 H 0.439490 0.030388 0.520121 0.031 Uiso 1 1 calc R U . . .
C11 C 0.4652(4) 0.1559(4) 0.51299(13) 0.0264(10) Uani 1 1 d . . . . .
C12 C 0.4446(4) 0.2189(4) 0.52504(15) 0.0311(12) Uani 1 1 d . . . . .
H12 H 0.467602 0.273060 0.513470 0.037 Uiso 1 1 calc R U . . .
C13 C 0.5338(4) 0.1803(3) 0.48510(13) 0.0258(10) Uani 1 1 d . . . . .
C14 C 0.3380(4) -0.0338(4) 0.57593(15) 0.0290(11) Uani 1 1 d . . . . .
Co1 Co 0.34376(5) 0.48115(5) 0.70355(2) 0.0249(2) Uani 1 1 d . . . . .
O9 O 0.516(2) 0.406(3) 0.6718(9) 0.107(10) Uani 0.25 1 d D U P B 2
H9A H 0.560089 0.405415 0.683444 0.128 Uiso 0.25 1 d DR U P B 2
H9B H 0.488399 0.347295 0.673934 0.128 Uiso 0.25 1 d DR U P B 2
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
O1 P1 C1 107.6(2) . . ?
O1 P1 O2 111.9(2) . . ?
O1 P1 O3 110.2(2) . . ?
O2 P1 C1 109.3(2) . . ?
O2 P1 O3 111.3(2) . . ?
O3 P1 C1 106.4(2) . . ?
P1 O1 Co1 174.0(3) . . ?
C2 C1 P1 120.1(5) . . ?
C6 C1 P1 120.6(5) . . ?
C6 C1 C2 119.3(6) . . ?
O2 Co2 Co1 42.00(9) 11_556 9_554 ?
O3 Co2 O2 75.02(13) 10_666 11_556 ?
O3 Co2 Co1 43.52(10) 10_666 9_554 ?
O4 Co2 O2 82.50(15) . 11_556 ?
O4 Co2 O3 138.10(16) . 10_666 ?
O4 Co2 O5 103.42(16) . 3_665 ?
O4 Co2 O7 115.49(17) . 12_556 ?
O4 Co2 Co1 124.48(12) . 9_554 ?
O5 Co2 O2 170.92(15) 3_665 11_556 ?
O5 Co2 O3 103.92(15) 3_665 10_666 ?
O5 Co2 Co1 131.76(12) 3_665 9_554 ?
O7 Co2 O2 85.62(15) 12_556 11_556 ?
O7 Co2 O3 97.73(15) 12_556 10_666 ?
O7 Co2 O5 85.60(16) 12_556 3_665 ?
O7 Co2 Co1 70.05(11) 12_556 9_554 ?
P1 O2 Co2 138.4(2) . 12_556 ?
P1 O2 Co1 132.7(2) . 14_456 ?
Co1 O2 Co2 86.29(14) 14_456 12_556 ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.2(6) . . ?
C3 C2 H2 120.4 . . ?
P1 O3 Co2 137.1(2) . 10_666 ?
P1 O3 Co1 130.5(2) . 15_556 ?
Co1 O3 Co2 92.39(14) 15_556 10_666 ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.3(6) . . ?
C4 C3 H3 119.3 . . ?
C13 O4 Co2 152.2(4) . . ?
C3 C4 C5 118.4(6) . . ?
C3 C4 C7 122.5(6) . . ?
C5 C4 C7 119.1(5) . . ?
C13 O5 Co2 102.5(3) . 2_655 ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(6) . . ?
C6 C5 H5 119.8 . . ?
C14 O6 Co1 115.3(3) . 13_556 ?
C1 C6 C5 121.1(6) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C14 O7 Co2 132.1(4) . 11_556 ?
C8 C7 C4 122.1(5) . . ?
C8 C7 C12 119.1(5) . . ?
C12 C7 C4 118.7(5) . . ?
H8A O8 H8A 112.8 . 2_655 ?
H8A O8 H8A 112.8 2_655 3_665 ?
H8A O8 H8A 112.8 . 3_665 ?
H8A O8 H8B 94.9 . . ?
H8A O8 H8B 105.8 3_665 2_655 ?
H8A O8 H8B 26.2 2_655 3_665 ?
H8A O8 H8B 94.9 3_665 3_665 ?
H8A O8 H8B 94.9 2_655 2_655 ?
H8A O8 H8B 26.2 . 2_655 ?
H8A O8 H8B 105.8 . 3_665 ?
H8B O8 H8A 26.2 . 3_665 ?
H8B O8 H8A 105.8 . 2_655 ?
H8B O8 H8B 81.6 2_655 3_665 ?
H8B O8 H8B 81.6 . 3_665 ?
H8B O8 H8B 81.6 . 2_655 ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(5) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 120.0(5) . . ?
C8 C9 C14 122.4(5) . . ?
C10 C9 C14 117.4(5) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.6(5) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C12 120.3(5) . . ?
C10 C11 C13 119.8(5) . . ?
C12 C11 C13 119.7(5) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 C7 120.5(5) . . ?
C11 C12 H12 119.7 . . ?
O4 C13 C11 121.8(5) . . ?
O5 C13 O4 119.0(5) . . ?
O5 C13 C11 119.2(5) . . ?
O6 C14 C9 118.6(5) . . ?
O7 C14 O6 125.0(5) . . ?
O7 C14 C9 116.4(5) . . ?
O1 Co1 Co2 155.71(14) . 5 ?
O1 Co1 O2 118.37(17) . 15_556 ?
O1 Co1 O3 119.00(17) . 14_456 ?
O1 Co1 O6 115.86(18) . 13_556 ?
O2 Co1 Co2 51.71(11) 15_556 5 ?
O2 Co1 O3 83.52(15) 15_556 14_456 ?
O3 Co1 Co2 44.09(10) 14_456 5 ?
O6 Co1 Co2 87.48(12) 13_556 5 ?
O6 Co1 O2 112.55(17) 13_556 15_556 ?
O6 Co1 O3 102.52(16) 13_556 14_456 ?
H9A O9 H9B 85.5 . . ?
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
P1 O1 1.498(4) . ?
P1 C1 1.789(5) . ?
P1 O2 1.521(4) . ?
P1 O3 1.550(4) . ?
O1 Co1 1.887(4) . ?
C1 C2 1.386(9) . ?
C1 C6 1.364(8) . ?
Co2 O2 2.316(4) 11_556 ?
Co2 O3 2.050(3) 10_666 ?
Co2 O4 1.974(4) . ?
Co2 O5 2.049(4) 3_665 ?
Co2 O7 2.011(4) 12_556 ?
Co2 Co1 2.9443(10) 9_554 ?
O2 Co1 1.974(4) 14_456 ?
C2 H2 0.9300 . ?
C2 C3 1.412(10) . ?
O3 Co1 2.029(3) 15_556 ?
C3 H3 0.9300 . ?
C3 C4 1.361(9) . ?
O4 C13 1.269(6) . ?
C4 C5 1.397(9) . ?
C4 C7 1.501(8) . ?
O5 C13 1.258(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(9) . ?
O6 C14 1.271(7) . ?
O6 Co1 1.974(4) 13_556 ?
C6 H6 0.9300 . ?
O7 C14 1.246(7) . ?
C7 C8 1.396(8) . ?
C7 C12 1.397(8) . ?
O8 H8A 0.8888 3_665 ?
O8 H8A 0.8889 2_655 ?
O8 H8A 0.8888 . ?
O8 H8B 0.8628 . ?
O8 H8B 0.8627 2_655 ?
O8 H8B 0.8627 3_665 ?
C8 H8 0.9300 . ?
C8 C9 1.390(8) . ?
C9 C10 1.402(8) . ?
C9 C14 1.508(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(7) . ?
C11 C12 1.389(8) . ?
C11 C13 1.489(7) . ?
C12 H12 0.9300 . ?
O9 H9A 0.8909 . ?
O9 H9B 0.8834 . ?
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
P1 C1 C2 C3 -172.5(8) . . . . ?
P1 C1 C6 C5 173.4(7) . . . . ?
O1 P1 C1 C2 76.0(7) . . . . ?
O1 P1 C1 C6 -101.8(6) . . . . ?
O1 P1 O2 Co2 154.7(3) . . . 12_556 ?
O1 P1 O2 Co1 -0.1(4) . . . 14_456 ?
O1 P1 O3 Co2 -169.6(3) . . . 10_666 ?
O1 P1 O3 Co1 6.6(4) . . . 15_556 ?
C1 P1 O2 Co2 -86.3(4) . . . 12_556 ?
C1 P1 O2 Co1 119.0(3) . . . 14_456 ?
C1 P1 O3 Co2 74.0(4) . . . 10_666 ?
C1 P1 O3 Co1 -109.8(3) . . . 15_556 ?
C1 C2 C3 C4 -2.3(16) . . . . ?
Co2 O4 C13 O5 157.5(6) . . . . ?
Co2 O4 C13 C11 -26.4(11) . . . . ?
Co2 O5 C13 O4 -0.8(6) 2_655 . . . ?
Co2 O5 C13 C11 -177.0(4) 2_655 . . . ?
Co2 O7 C14 O6 -42.2(8) 11_556 . . . ?
Co2 O7 C14 C9 135.0(4) 11_556 . . . ?
O2 P1 C1 C2 -45.7(7) . . . . ?
O2 P1 C1 C6 136.5(6) . . . . ?
O2 P1 O3 Co2 -44.9(4) . . . 10_666 ?
O2 P1 O3 Co1 131.3(3) . . . 15_556 ?
C2 C1 C6 C5 -4.4(12) . . . . ?
C2 C3 C4 C5 -1.7(14) . . . . ?
C2 C3 C4 C7 179.6(9) . . . . ?
O3 P1 C1 C2 -166.0(6) . . . . ?
O3 P1 C1 C6 16.2(6) . . . . ?
O3 P1 O2 Co2 31.0(4) . . . 12_556 ?
O3 P1 O2 Co1 -123.8(3) . . . 14_456 ?
C3 C4 C5 C6 2.8(13) . . . . ?
C3 C4 C7 C8 -41.2(11) . . . . ?
C3 C4 C7 C12 142.5(8) . . . . ?
C4 C5 C6 C1 0.3(13) . . . . ?
C4 C7 C8 C9 -179.7(6) . . . . ?
C4 C7 C12 C11 176.3(6) . . . . ?
C5 C4 C7 C8 140.1(7) . . . . ?
C5 C4 C7 C12 -36.1(10) . . . . ?
C6 C1 C2 C3 5.4(14) . . . . ?
C7 C4 C5 C6 -178.5(7) . . . . ?
C7 C8 C9 C10 3.9(9) . . . . ?
C7 C8 C9 C14 179.3(6) . . . . ?
C8 C7 C12 C11 -0.1(9) . . . . ?
C8 C9 C10 C11 -0.6(9) . . . . ?
C8 C9 C14 O6 -38.3(8) . . . . ?
C8 C9 C14 O7 144.3(6) . . . . ?
C9 C10 C11 C12 -2.9(8) . . . . ?
C9 C10 C11 C13 171.5(5) . . . . ?
C10 C9 C14 O6 137.2(6) . . . . ?
C10 C9 C14 O7 -40.2(8) . . . . ?
C10 C11 C12 C7 3.3(9) . . . . ?
C10 C11 C13 O4 167.9(5) . . . . ?
C10 C11 C13 O5 -16.0(8) . . . . ?
C12 C7 C8 C9 -3.5(10) . . . . ?
C12 C11 C13 O4 -17.7(8) . . . . ?
C12 C11 C13 O5 158.4(5) . . . . ?
C13 C11 C12 C7 -171.1(5) . . . . ?
C14 C9 C10 C11 -176.3(5) . . . . ?
Co1 O6 C14 O7 13.0(7) 13_556 . . . ?
Co1 O6 C14 C9 -164.1(4) 13_556 . . . ?
