#------------------------------------------------------------------------------
#$Date: 2022-01-18 10:41:21 +0200 (Tue, 18 Jan 2022) $
#$Revision: 272095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/60/1566007.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_1566007
loop_
_publ_author_name
'Yao, Guang-Xu'
'Zhang, Jin-Qiang'
'Li, Peng'
'Liu, Hui'
'Wang, Li'
'Sun, Yin-Xia'
'Dong, Wen-Kui'
_publ_section_title
;
 A unitary fluorescence probe to sense Co2+: Validated by theoretical
 studies and X-ray crystallography
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              120642
_journal_paper_doi               10.1016/j.ica.2021.120642
_journal_volume                  529
_journal_year                    2022
_chemical_formula_moiety         'C48 H50 Co3 N4 O16, 2(C H4 O)'
_chemical_formula_sum            'C50 H58 Co3 N4 O18'
_chemical_formula_weight         1179.79
_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   mixed
_atom_sites_solution_primary     dual
_cell_angle_alpha                105.267(3)
_cell_angle_beta                 112.786(3)
_cell_angle_gamma                103.687(3)
_cell_formula_units_Z            1
_cell_length_a                   10.7978(5)
_cell_length_b                   11.7120(6)
_cell_length_c                   12.4107(6)
_cell_measurement_reflns_used    4814
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      71.948
_cell_measurement_theta_min      4.625
_cell_volume                     1290.84(13)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173.0
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_unetI/netI     0.0545
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13416
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.038
_diffrn_reflns_theta_min         4.625
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.126
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       block
_exptl_crystal_F_000             611
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.397
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4963
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0430P)²+0.0257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
_refine_ls_wR_factor_ref         0.0980
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3876
_reflns_number_total             4963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2022-529-120642.cif
_cod_data_source_block           2
_cod_original_cell_volume        1290.84(11)
_cod_database_code               1566007
_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   0.528
_shelx_estimated_absorpt_t_min   0.442
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 O8(H8), O9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C11(H11), C14(H14), C15(H15), C4(H4), C20(H20), C8(H8A), C5(H5),
 C19(H19), C17(H17), C18(H18)
2.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C7(H7A,H7B,H7C), C21(H21A,H21B,H21C), C24(H24A,H24B,H24C)
;
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
Co01 Co 0.500000 0.500000 0.500000 0.02528(15) Uani 1 2 d S . P . .
Co1 Co 0.28675(5) 0.61875(4) 0.36260(4) 0.02865(12) Uani 1 1 d . . . . .
O6 O 0.3293(2) 0.34212(18) 0.33075(16) 0.0315(4) Uani 1 1 d . . . . .
O1 O 0.3444(2) 0.56694(18) 0.51543(16) 0.0303(4) Uani 1 1 d . . . . .
O5 O 0.4854(2) 0.61707(18) 0.39196(17) 0.0298(4) Uani 1 1 d . . . . .
O7 O 0.1771(2) 0.42828(19) 0.23601(17) 0.0361(4) Uani 1 1 d . . . . .
O8 O 0.3921(2) 0.81644(19) 0.48115(19) 0.0402(5) Uani 1 1 d . . . . .
H8 H 0.469496 0.839569 0.548770 0.060 Uiso 1 1 d R U . . .
O2 O 0.4513(2) 0.6336(2) 0.94384(18) 0.0414(5) Uani 1 1 d . . . . .
O4 O 0.1446(2) 0.6374(2) 0.09487(18) 0.0466(6) Uani 1 1 d . . . . .
N2 N 0.2738(3) 0.6698(2) 0.2099(2) 0.0347(5) Uani 1 1 d . . . . .
O3 O -0.0180(3) 0.6374(3) 0.2877(2) 0.0544(7) Uani 1 1 d . . . . .
N1 N 0.1022(3) 0.6239(3) 0.3771(2) 0.0376(6) Uani 1 1 d . . . . .
O9 O 0.6358(3) 0.8828(2) 0.6902(2) 0.0647(7) Uani 1 1 d . . . . .
H9 H 0.646673 0.813281 0.685326 0.097 Uiso 1 1 d R U . . .
C1 C 0.3141(3) 0.6006(3) 0.6097(2) 0.0280(6) Uani 1 1 d . . . . .
C12 C 0.5348(3) 0.7446(3) 0.2802(2) 0.0303(6) Uani 1 1 d . . . . .
C3 C 0.3714(3) 0.6335(3) 0.8279(3) 0.0342(6) Uani 1 1 d . . . . .
C00H C 0.6428(3) 0.8261(3) 0.2633(3) 0.0361(7) Uani 1 1 d . . . . .
C13 C 0.5789(3) 0.6920(2) 0.3719(2) 0.0286(6) Uani 1 1 d . . . . .
C23 C 0.2127(3) 0.3356(3) 0.2445(3) 0.0322(6) Uani 1 1 d . . . . .
C2 C 0.4022(3) 0.6007(3) 0.7277(2) 0.0309(6) Uani 1 1 d . . . . .
H2 H 0.483930 0.578081 0.739278 0.037 Uiso 1 1 calc R U . . .
C6 C 0.1928(3) 0.6351(3) 0.5941(3) 0.0341(6) Uani 1 1 d . . . . .
C11 C 0.3842(3) 0.7127(3) 0.1943(2) 0.0334(6) Uani 1 1 d . . . . .
H11 H 0.364229 0.724785 0.117467 0.040 Uiso 1 1 calc R U . . .
C14 C 0.7295(3) 0.7188(3) 0.4442(3) 0.0354(6) Uani 1 1 d . . . . .
H14 H 0.760194 0.684124 0.506480 0.042 Uiso 1 1 calc R U . . .
C16 C 0.7905(4) 0.8489(3) 0.3358(3) 0.0429(7) Uani 1 1 d . . . . .
C15 C 0.8291(3) 0.7928(3) 0.4256(3) 0.0422(7) Uani 1 1 d . . . . .
H15 H 0.928554 0.807707 0.474395 0.051 Uiso 1 1 calc R U . . .
C4 C 0.2525(4) 0.6689(3) 0.8132(3) 0.0431(8) Uani 1 1 d . . . . .
H4 H 0.233399 0.694259 0.882535 0.052 Uiso 1 1 calc R U . . .
C20 C 0.6090(4) 0.8881(3) 0.1783(3) 0.0461(8) Uani 1 1 d . . . . .
H20 H 0.510624 0.876433 0.129482 0.055 Uiso 1 1 calc R U . . .
C22 C 0.1057(4) 0.2050(3) 0.1417(3) 0.0483(8) Uani 1 1 d . . . . .
H22A H 0.128831 0.186313 0.071684 0.072 Uiso 1 1 calc R U . . .
H22B H 0.006966 0.204341 0.109806 0.072 Uiso 1 1 calc R U . . .
H22C H 0.111970 0.139826 0.177289 0.072 Uiso 1 1 calc R U . . .
C8 C 0.0907(3) 0.6349(3) 0.4783(3) 0.0395(7) Uani 1 1 d . . . . .
H8A H 0.004647 0.643915 0.475955 0.047 Uiso 1 1 calc R U . . .
C7 C 0.5861(4) 0.6180(3) 0.9689(3) 0.0461(8) Uani 1 1 d . . . . .
H7A H 0.566894 0.532888 0.911212 0.069 Uiso 1 1 calc R U . . .
H7B H 0.636774 0.626765 1.057227 0.069 Uiso 1 1 calc R U . . .
H7C H 0.646673 0.683551 0.955491 0.069 Uiso 1 1 calc R U . . .
C5 C 0.1650(4) 0.6666(3) 0.6987(3) 0.0423(7) Uani 1 1 d . . . . .
H5 H 0.081962 0.686844 0.688093 0.051 Uiso 1 1 calc R U . . .
C9 C -0.0440(3) 0.5766(4) 0.1601(3) 0.0474(8) Uani 1 1 d . . . . .
H9A H -0.149748 0.541690 0.101309 0.057 Uiso 1 1 calc R U . . .
H9B H -0.011692 0.503917 0.154380 0.057 Uiso 1 1 calc R U . . .
C10 C 0.0332(4) 0.6658(4) 0.1172(3) 0.0518(9) Uani 1 1 d . . . . .
H10A H -0.040092 0.664486 0.037762 0.062 Uiso 1 1 calc R U . . .
H10B H 0.076521 0.753953 0.182684 0.062 Uiso 1 1 calc R U . . .
C19 C 0.7149(5) 0.9648(4) 0.1648(4) 0.0608(10) Uani 1 1 d . . . . .
H19 H 0.689334 1.005679 0.107444 0.073 Uiso 1 1 calc R U . . .
C17 C 0.8973(4) 0.9266(4) 0.3188(4) 0.0598(10) Uani 1 1 d . . . . .
H17 H 0.996277 0.939602 0.366571 0.072 Uiso 1 1 calc R U . . .
C21 C 0.3298(4) 0.9106(3) 0.4940(3) 0.0546(9) Uani 1 1 d . . . . .
H21A H 0.266402 0.905052 0.409519 0.082 Uiso 1 1 calc R U . . .
H21B H 0.407305 0.995936 0.543826 0.082 Uiso 1 1 calc R U . . .
H21C H 0.272774 0.895306 0.537650 0.082 Uiso 1 1 calc R U . . .
C18 C 0.8602(5) 0.9829(4) 0.2352(4) 0.0730(12) Uani 1 1 d . . . . .
H18 H 0.932990 1.034658 0.224447 0.088 Uiso 1 1 calc R U . . .
C24 C 0.6290(6) 0.9358(5) 0.8022(4) 0.0978(19) Uani 1 1 d . . . . .
H24A H 0.527213 0.914299 0.782509 0.147 Uiso 1 1 calc R U . . .
H24B H 0.679300 1.029018 0.839064 0.147 Uiso 1 1 calc R U . . .
H24C H 0.675878 0.900997 0.863368 0.147 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O6 Co01 O6 180.00(11) . 2_666
O6 Co01 O5 91.51(7) 2_666 .
O6 Co01 O5 88.49(7) 2_666 2_666
O6 Co01 O5 88.49(7) . .
O6 Co01 O5 91.51(7) . 2_666
O1 Co01 O6 88.07(7) . .
O1 Co01 O6 91.93(7) . 2_666
O1 Co01 O6 91.93(7) 2_666 .
O1 Co01 O6 88.07(7) 2_666 2_666
O1 Co01 O1 180.0 2_666 .
O1 Co01 O5 76.91(7) . .
O1 Co01 O5 103.09(7) . 2_666
O1 Co01 O5 103.09(7) 2_666 .
O1 Co01 O5 76.91(7) 2_666 2_666
O5 Co01 O5 180.0 2_666 .
O1 Co1 O7 91.25(8) . .
O1 Co1 O8 92.58(8) . .
O1 Co1 N2 166.65(8) . .
O1 Co1 N1 87.48(8) . .
O5 Co1 O1 79.63(7) . .
O5 Co1 O7 93.56(7) . .
O5 Co1 O8 87.82(8) . .
O5 Co1 N2 87.04(8) . .
O5 Co1 N1 166.33(8) . .
O7 Co1 O8 176.11(8) . .
O7 Co1 N2 88.89(9) . .
O7 Co1 N1 91.24(9) . .
N2 Co1 O8 87.54(9) . .
N1 Co1 O8 88.24(9) . .
N1 Co1 N2 105.86(9) . .
C23 O6 Co01 130.93(18) . .
Co1 O1 Co01 99.33(7) . .
C1 O1 Co01 131.91(17) . .
C1 O1 Co1 126.64(16) . .
Co1 O5 Co01 97.26(7) . .
C13 O5 Co01 134.67(17) . .
C13 O5 Co1 126.39(16) . .
C23 O7 Co1 127.92(18) . .
Co1 O8 H8 117.4 . .
C21 O8 Co1 128.5(2) . .
C21 O8 H8 109.1 . .
C3 O2 C7 117.3(2) . .
C10 O4 N2 112.9(2) . .
O4 N2 Co1 126.69(18) . .
C11 N2 Co1 123.6(2) . .
C11 N2 O4 108.3(2) . .
N1 O3 C9 111.4(2) . .
O3 N1 Co1 125.92(17) . .
C8 N1 Co1 124.0(2) . .
C8 N1 O3 109.3(2) . .
C24 O9 H9 109.1 . .
O1 C1 C2 119.7(2) . .
O1 C1 C6 121.4(2) . .
C2 C1 C6 118.9(2) . .
C13 C12 C00H 119.5(3) . .
C13 C12 C11 122.7(3) . .
C11 C12 C00H 117.5(3) . .
O2 C3 C2 123.7(3) . .
O2 C3 C4 115.9(2) . .
C2 C3 C4 120.4(3) . .
C16 C00H C12 119.6(3) . .
C16 C00H C20 117.1(3) . .
C20 C00H C12 123.3(3) . .
O5 C13 C12 122.4(2) . .
O5 C13 C14 118.6(2) . .
C12 C13 C14 119.0(3) . .
O6 C23 C22 118.0(3) . .
O7 C23 O6 125.7(3) . .
O7 C23 C22 116.3(3) . .
C1 C2 H2 119.6 . .
C3 C2 C1 120.9(2) . .
C3 C2 H2 119.6 . .
C1 C6 C8 125.1(2) . .
C5 C6 C1 118.2(3) . .
C5 C6 C8 116.7(2) . .
N2 C11 C12 127.5(2) . .
N2 C11 H11 116.3 . .
C12 C11 H11 116.3 . .
C13 C14 H14 119.6 . .
C15 C14 C13 120.9(3) . .
C15 C14 H14 119.6 . .
C00H C16 C15 118.7(3) . .
C00H C16 C17 120.2(3) . .
C17 C16 C15 121.0(3) . .
C14 C15 C16 122.2(3) . .
C14 C15 H15 118.9 . .
C16 C15 H15 118.9 . .
C3 C4 H4 120.4 . .
C5 C4 C3 119.1(2) . .
C5 C4 H4 120.4 . .
C00H C20 H20 119.2 . .
C19 C20 C00H 121.5(4) . .
C19 C20 H20 119.2 . .
C23 C22 H22A 109.5 . .
C23 C22 H22B 109.5 . .
C23 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N1 C8 C6 127.4(3) . .
N1 C8 H8A 116.3 . .
C6 C8 H8A 116.3 . .
O2 C7 H7A 109.5 . .
O2 C7 H7B 109.5 . .
O2 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C5 H5 118.8 . .
C4 C5 C6 122.5(3) . .
C4 C5 H5 118.8 . .
O3 C9 H9A 108.9 . .
O3 C9 H9B 108.9 . .
O3 C9 C10 113.5(3) . .
H9A C9 H9B 107.7 . .
C10 C9 H9A 108.9 . .
C10 C9 H9B 108.9 . .
O4 C10 C9 115.8(3) . .
O4 C10 H10A 108.3 . .
O4 C10 H10B 108.3 . .
C9 C10 H10A 108.3 . .
C9 C10 H10B 108.3 . .
H10A C10 H10B 107.4 . .
C20 C19 H19 119.9 . .
C20 C19 C18 120.2(4) . .
C18 C19 H19 119.9 . .
C16 C17 H17 119.6 . .
C18 C17 C16 120.8(4) . .
C18 C17 H17 119.6 . .
O8 C21 H21A 109.5 . .
O8 C21 H21B 109.5 . .
O8 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C18 H18 120.0 . .
C17 C18 C19 120.0(4) . .
C17 C18 H18 120.0 . .
O9 C24 H24A 109.5 . .
O9 C24 H24B 109.5 . .
O9 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co01 O6 2.1382(19) .
Co01 O6 2.1382(19) 2_666
Co01 O1 2.0656(16) 2_666
Co01 O1 2.0657(16) .
Co01 O5 2.1470(18) .
Co01 O5 2.1469(18) 2_666
Co1 O1 2.0551(18) .
Co1 O5 2.0376(18) .
Co1 O7 2.076(2) .
Co1 O8 2.117(2) .
Co1 N2 2.097(2) .
Co1 N1 2.082(2) .
O6 C23 1.266(3) .
O1 C1 1.322(3) .
O5 C13 1.320(3) .
O7 C23 1.250(3) .
O8 H8 0.8400 .
O8 C21 1.427(3) .
O2 C3 1.361(3) .
O2 C7 1.433(4) .
O4 N2 1.431(3) .
O4 C10 1.427(4) .
N2 C11 1.288(4) .
O3 N1 1.420(3) .
O3 C9 1.435(4) .
N1 C8 1.285(4) .
O9 H9 0.8400 .
O9 C24 1.404(5) .
C1 C2 1.402(4) .
C1 C6 1.419(4) .
C12 C00H 1.444(4) .
C12 C13 1.411(4) .
C12 C11 1.442(4) .
C3 C2 1.390(3) .
C3 C4 1.402(4) .
C00H C16 1.408(5) .
C00H C20 1.415(4) .
C13 C14 1.424(4) .
C23 C22 1.516(4) .
C2 H2 0.9500 .
C6 C8 1.432(4) .
C6 C5 1.419(4) .
C11 H11 0.9500 .
C14 H14 0.9500 .
C14 C15 1.348(4) .
C16 C15 1.416(5) .
C16 C17 1.413(5) .
C15 H15 0.9500 .
C4 H4 0.9500 .
C4 C5 1.357(4) .
C20 H20 0.9500 .
C20 C19 1.372(5) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C8 H8A 0.9500 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C5 H5 0.9500 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.514(5) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C19 H19 0.9500 .
C19 C18 1.398(6) .
C17 H17 0.9500 .
C17 C18 1.353(6) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C18 H18 0.9500 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
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
Co01 O6 C23 O7 5.8(4) . . . .
Co01 O6 C23 C22 -174.13(19) . . . .
Co01 O1 C1 C2 4.0(4) . . . .
Co01 O1 C1 C6 -175.1(2) . . . .
Co01 O5 C13 C12 170.61(17) . . . .
Co01 O5 C13 C14 -8.4(3) . . . .
Co1 O1 C1 C2 -155.9(2) . . . .
Co1 O1 C1 C6 25.0(4) . . . .
Co1 O5 C13 C12 -27.7(3) . . . .
Co1 O5 C13 C14 153.28(18) . . . .
Co1 O7 C23 O6 -4.1(4) . . . .
Co1 O7 C23 C22 175.84(19) . . . .
Co1 N2 C11 C12 -6.0(4) . . . .
Co1 N1 C8 C6 -5.5(5) . . . .
O1 C1 C2 C3 -178.9(3) . . . .
O1 C1 C6 C8 1.5(5) . . . .
O1 C1 C6 C5 178.3(3) . . . .
O5 C13 C14 C15 178.7(2) . . . .
O2 C3 C2 C1 179.0(3) . . . .
O2 C3 C4 C5 -177.7(3) . . . .
O4 N2 C11 C12 -173.3(2) . . . .
N2 O4 C10 C9 -73.8(4) . . . .
O3 N1 C8 C6 -176.0(3) . . . .
O3 C9 C10 O4 113.8(3) . . . .
N1 O3 C9 C10 -92.2(3) . . . .
C1 C6 C8 N1 -11.8(5) . . . .
C1 C6 C5 C4 2.3(5) . . . .
C12 C00H C16 C15 -1.2(4) . . . .
C12 C00H C16 C17 178.9(3) . . . .
C12 C00H C20 C19 -179.9(3) . . . .
C12 C13 C14 C15 -0.3(4) . . . .
C3 C4 C5 C6 -2.9(5) . . . .
C00H C12 C13 O5 179.9(2) . . . .
C00H C12 C13 C14 -1.1(4) . . . .
C00H C12 C11 N2 -161.6(3) . . . .
C00H C16 C15 C14 -0.3(4) . . . .
C00H C16 C17 C18 1.7(5) . . . .
C00H C20 C19 C18 0.3(6) . . . .
C13 C12 C00H C16 1.9(4) . . . .
C13 C12 C00H C20 -176.6(2) . . . .
C13 C12 C11 N2 23.3(4) . . . .
C13 C14 C15 C16 1.1(4) . . . .
C2 C1 C6 C8 -177.6(3) . . . .
C2 C1 C6 C5 -0.9(4) . . . .
C2 C3 C4 C5 2.2(5) . . . .
C6 C1 C2 C3 0.3(4) . . . .
C11 C12 C00H C16 -173.3(2) . . . .
C11 C12 C00H C20 8.1(4) . . . .
C11 C12 C13 O5 -5.2(4) . . . .
C11 C12 C13 C14 173.8(2) . . . .
C16 C00H C20 C19 1.5(4) . . . .
C16 C17 C18 C19 0.2(6) . . . .
C15 C16 C17 C18 -178.2(3) . . . .
C4 C3 C2 C1 -0.9(5) . . . .
C20 C00H C16 C15 177.4(3) . . . .
C20 C00H C16 C17 -2.5(4) . . . .
C20 C19 C18 C17 -1.2(6) . . . .
C8 C6 C5 C4 179.3(3) . . . .
C7 O2 C3 C2 9.8(4) . . . .
C7 O2 C3 C4 -170.3(3) . . . .
C5 C6 C8 N1 171.4(3) . . . .
C9 O3 N1 Co1 33.3(4) . . . .
C9 O3 N1 C8 -156.4(3) . . . .
C10 O4 N2 Co1 50.0(3) . . . .
C10 O4 N2 C11 -143.1(3) . . . .
C17 C16 C15 C14 179.6(3) . . . .
