#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:07:04 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180412 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/81/7208106.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_7208106
loop_
_publ_author_name
'Zhao, Fanghua'
'Jing, Shuai'
'Che, Yunxia'
'Zheng, Jimin'
_publ_section_title
;
 Metal--ligand ratio-controlled assembly of two pairs of Co(ii) complexes:
 syntheses, structures and magnetic properties
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              4478
_journal_paper_doi               10.1039/c2ce25272d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C22 H21 Co N5 O5'
_chemical_formula_weight         494.37
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.37(4)
_cell_angle_beta                 95.68(3)
_cell_angle_gamma                115.82(2)
_cell_formula_units_Z            2
_cell_length_a                   10.195(2)
_cell_length_b                   10.242(5)
_cell_length_c                   12.011(2)
_cell_measurement_reflns_used    2680
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.9748
_cell_measurement_theta_min      1.7592
_cell_volume                     1088.0(7)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_sigmaI/netI    0.1278
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8687
_diffrn_reflns_theta_full        25.94
_diffrn_reflns_theta_max         25.94
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.834
_exptl_absorpt_correction_T_max  0.8509
_exptl_absorpt_correction_T_min  0.8509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             510
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.264
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       0.034(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4219
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0742
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1056P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1900
_refine_ls_wR_factor_ref         0.2094
_reflns_number_gt                2265
_reflns_number_total             4219
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25272d.txt
_cod_data_source_block           3#
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1088.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7208106
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.9535(7) 0.8001(7) 0.6013(6) 0.0387(15) Uani 1 1 d .
H1 H 1.0373 0.8781 0.5850 0.046 Uiso 1 1 calc R
C2 C 0.8080(7) 0.6493(7) 0.6936(7) 0.0500(18) Uani 1 1 d .
H2 H 0.7694 0.5996 0.7513 0.060 Uiso 1 1 calc R
C3 C 0.7364(7) 0.6184(6) 0.5834(6) 0.0422(16) Uani 1 1 d .
H3 H 0.6369 0.5435 0.5518 0.051 Uiso 1 1 calc R
C4 C 1.0695(7) 0.8390(8) 0.8067(6) 0.0575(19) Uani 1 1 d .
H4A H 1.1598 0.9109 0.7854 0.069 Uiso 1 1 calc R
H4B H 1.0914 0.7623 0.8315 0.069 Uiso 1 1 calc R
C5 C 1.0313(7) 0.9215(7) 0.9068(6) 0.0446(16) Uani 1 1 d .
C6 C 1.0006(9) 1.0372(9) 0.8963(7) 0.065(2) Uani 1 1 d .
H6 H 1.0017 1.0653 0.8250 0.078 Uiso 1 1 calc R
C7 C 1.0323(9) 0.8855(9) 1.0110(7) 0.064(2) Uani 1 1 d .
H7 H 1.0555 0.8074 1.0207 0.077 Uiso 1 1 calc R
C8 C 0.5942(8) 0.4628(7) 0.1642(7) 0.0553(18) Uani 1 1 d .
H8 H 0.5138 0.4359 0.2039 0.066 Uiso 1 1 calc R
C9 C 0.7164(13) 0.4645(9) 0.0276(8) 0.108(4) Uani 1 1 d .
H9 H 0.7422 0.4444 -0.0451 0.129 Uiso 1 1 calc R
C10 C 0.8072(11) 0.5691(9) 0.1230(8) 0.099(4) Uani 1 1 d .
H10 H 0.9103 0.6327 0.1301 0.119 Uiso 1 1 calc R
C11 C 0.4537(10) 0.2563(8) -0.0184(8) 0.085(3) Uani 1 1 d .
H11A H 0.4418 0.2626 -0.0997 0.102 Uiso 1 1 calc R
H11B H 0.3622 0.2458 0.0093 0.102 Uiso 1 1 calc R
C12 C 0.4770(8) 0.1227(7) -0.0107(6) 0.0544(19) Uani 1 1 d .
C13 C 0.4099(9) 0.0380(8) 0.0625(7) 0.065(2) Uani 1 1 d .
H13 H 0.3475 0.0627 0.1062 0.078 Uiso 1 1 calc R
C14 C 0.5680(9) 0.0836(8) -0.0736(7) 0.064(2) Uani 1 1 d .
H14 H 0.6155 0.1413 -0.1248 0.077 Uiso 1 1 calc R
C15 C 0.5981(6) 0.8049(6) 0.3535(5) 0.0326(13) Uani 1 1 d .
C16 C 0.5004(6) 0.8792(6) 0.3555(5) 0.0305(13) Uani 1 1 d .
C17 C 0.3510(6) 0.7980(6) 0.3560(5) 0.0322(13) Uani 1 1 d .
H17 H 0.3104 0.6953 0.3565 0.039 Uiso 1 1 calc R
C18 C 0.2593(6) 0.8685(6) 0.3556(5) 0.0309(13) Uani 1 1 d .
C19 C 0.3188(6) 1.0168(6) 0.3550(5) 0.0327(13) Uani 1 1 d .
H19 H 0.2567 1.0641 0.3544 0.039 Uiso 1 1 calc R
C20 C 0.4696(6) 1.0991(6) 0.3552(5) 0.0368(14) Uani 1 1 d .
C21 C 0.5594(6) 1.0303(6) 0.3576(5) 0.0335(14) Uani 1 1 d .
H21 H 0.6629 1.0869 0.3608 0.040 Uiso 1 1 calc R
C22 C 0.0979(6) 0.7808(6) 0.3601(5) 0.0359(14) Uani 1 1 d .
Co1 Co 0.80421(8) 0.72985(8) 0.36132(7) 0.0325(3) Uani 1 1 d .
N1 N 0.8272(5) 0.7098(5) 0.5247(4) 0.0326(11) Uani 1 1 d .
N2 N 0.9472(5) 0.7666(6) 0.7055(5) 0.0429(13) Uani 1 1 d .
N3 N 0.5842(8) 0.3946(6) 0.0537(5) 0.0622(17) Uani 1 1 d .
N4 N 0.7279(6) 0.5697(5) 0.2088(5) 0.0452(14) Uani 1 1 d .
N5 N 0.5313(4) 1.2572(4) 0.3548(4) 0.0217(9) Uani 1 1 d U
H5C H 0.6268 1.3096 0.3561 0.026 Uiso 1 1 calc R
H5D H 0.4730 1.3001 0.3532 0.026 Uiso 1 1 calc R
O1 O 0.5497(4) 0.6721(4) 0.3574(4) 0.0444(11) Uani 1 1 d .
O2 O 0.7344(4) 0.8827(4) 0.3477(4) 0.0380(10) Uani 1 1 d .
O3 O 0.0514(5) 0.6503(5) 0.3748(5) 0.0566(14) Uani 1 1 d .
O4 O 0.0163(4) 0.8447(4) 0.3504(4) 0.0384(10) Uani 1 1 d .
O5 O 0.8265(5) 0.3760(5) 0.4002(5) 0.0663(15) Uani 1 1 d .
H5A H 0.8789 0.4511 0.3742 0.080 Uiso 1 1 d R
H5B H 0.8776 0.3549 0.4477 0.080 Uiso 1 1 d R
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'
N N 0.0061 0.0033 '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'
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
N1 C1 N2 111.6(5) . .
N1 C1 H1 124.2 . .
N2 C1 H1 124.2 . .
C3 C2 N2 106.8(5) . .
C3 C2 H2 126.6 . .
N2 C2 H2 126.6 . .
N1 C3 C2 110.3(6) . .
N1 C3 H3 124.8 . .
C2 C3 H3 124.8 . .
N2 C4 C5 111.6(5) . .
N2 C4 H4A 109.3 . .
C5 C4 H4A 109.3 . .
N2 C4 H4B 109.3 . .
C5 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
C7 C5 C6 118.3(6) . .
C7 C5 C4 120.5(7) . .
C6 C5 C4 121.1(6) . .
C5 C6 C7 121.0(7) . 2_777
C5 C6 H6 119.5 . .
C7 C6 H6 119.5 2_777 .
C5 C7 C6 120.6(7) . 2_777
C5 C7 H7 119.7 . .
C6 C7 H7 119.7 2_777 .
N4 C8 N3 111.2(7) . .
N4 C8 H8 124.4 . .
N3 C8 H8 124.4 . .
N3 C9 C10 107.3(8) . .
N3 C9 H9 126.4 . .
C10 C9 H9 126.4 . .
C9 C10 N4 109.3(8) . .
C9 C10 H10 125.3 . .
N4 C10 H10 125.3 . .
N3 C11 C12 109.3(6) . .
N3 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
N3 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.3 . .
C13 C12 C14 118.4(7) . .
C13 C12 C11 119.2(8) . .
C14 C12 C11 122.4(8) . .
C12 C13 C14 120.6(7) . 2_655
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 2_655 .
C13 C14 C12 121.0(7) 2_655 .
C13 C14 H14 119.5 2_655 .
C12 C14 H14 119.5 . .
O1 C15 O2 120.7(5) . .
O1 C15 C16 121.4(5) . .
O2 C15 C16 117.9(5) . .
C17 C16 C21 119.7(5) . .
C17 C16 C15 120.1(5) . .
C21 C16 C15 120.2(5) . .
C16 C17 C18 119.6(5) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C19 C18 C17 119.8(5) . .
C19 C18 C22 120.9(5) . .
C17 C18 C22 119.3(5) . .
C18 C19 C20 120.7(5) . .
C18 C19 H19 119.6 . .
C20 C19 H19 119.6 . .
C21 C20 C19 119.3(5) . .
C21 C20 N5 120.7(5) . .
C19 C20 N5 120.0(5) . .
C20 C21 C16 120.8(5) . .
C20 C21 H21 119.6 . .
C16 C21 H21 119.6 . .
O3 C22 O4 123.6(5) . .
O3 C22 C18 119.0(5) . .
O4 C22 C18 117.3(5) . .
O4 Co1 O2 99.91(14) 1_655 .
O4 Co1 N1 100.87(18) 1_655 .
O2 Co1 N1 111.05(18) . .
O4 Co1 N4 99.86(19) 1_655 .
O2 Co1 N4 109.5(2) . .
N1 Co1 N4 129.93(19) . .
O4 Co1 O1 158.79(14) 1_655 .
O2 Co1 O1 59.06(14) . .
N1 Co1 O1 90.45(17) . .
N4 Co1 O1 86.03(19) . .
C1 N1 C3 105.3(5) . .
C1 N1 Co1 120.8(4) . .
C3 N1 Co1 133.9(4) . .
C1 N2 C2 106.0(5) . .
C1 N2 C4 125.5(5) . .
C2 N2 C4 128.4(6) . .
C9 N3 C8 107.1(7) . .
C9 N3 C11 126.9(8) . .
C8 N3 C11 125.6(7) . .
C8 N4 C10 105.0(6) . .
C8 N4 Co1 129.4(5) . .
C10 N4 Co1 124.9(5) . .
C20 N5 H5C 120.0 . .
C20 N5 H5D 120.0 . .
H5C N5 H5D 120.0 . .
C15 O1 Co1 81.8(3) . .
C15 O2 Co1 98.3(3) . .
C22 O4 Co1 117.0(3) . 1_455
H5A O5 H5B 113.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.335(7) .
C1 N2 1.356(7) .
C1 H1 0.9500 .
C2 C3 1.357(9) .
C2 N2 1.375(7) .
C2 H2 0.9500 .
C3 N1 1.357(6) .
C3 H3 0.9500 .
C4 N2 1.467(8) .
C4 C5 1.525(9) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C7 1.367(9) .
C5 C6 1.373(9) .
C6 C7 1.402(10) 2_777
C6 H6 0.9500 .
C7 C6 1.402(10) 2_777
C7 H7 0.9500 .
C8 N4 1.299(8) .
C8 N3 1.356(9) .
C8 H8 0.9500 .
C9 N3 1.323(11) .
C9 C10 1.343(12) .
C9 H9 0.9500 .
C10 N4 1.372(9) .
C10 H10 0.9500 .
C11 N3 1.488(9) .
C11 C12 1.503(10) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.368(10) .
C12 C14 1.395(11) .
C13 C14 1.385(10) 2_655
C13 H13 0.9500 .
C14 C13 1.385(10) 2_655
C14 H14 0.9500 .
C15 O1 1.240(6) .
C15 O2 1.282(6) .
C15 C16 1.494(7) .
C16 C17 1.383(7) .
C16 C21 1.389(7) .
C17 C18 1.409(7) .
C17 H17 0.9500 .
C18 C19 1.370(7) .
C18 C22 1.504(7) .
C19 C20 1.394(7) .
C19 H19 0.9500 .
C20 C21 1.379(8) .
C20 N5 1.461(6) .
C21 H21 0.9500 .
C22 O3 1.262(6) .
C22 O4 1.272(6) .
Co1 O4 1.993(4) 1_655
Co1 O2 2.006(4) .
Co1 N1 2.011(5) .
Co1 N4 2.044(5) .
Co1 O1 2.390(4) .
N5 H5C 0.8800 .
N5 H5D 0.8800 .
O4 Co1 1.993(4) 1_455
O5 H5A 0.8583 .
O5 H5B 0.8539 .
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
O5 H5B O3 0.85 2.20 2.969(7) 149.9 2_666
O5 H5A O3 0.86 2.03 2.842(6) 157.6 1_655
N5 H5C O5 0.88 1.83 2.661(6) 157.3 1_565
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_4
N2 C2 C3 N1 1.5(7) . .
N2 C4 C5 C7 121.5(7) . .
N2 C4 C5 C6 -61.0(9) . .
C7 C5 C6 C7 -1.5(13) . 2_777
C4 C5 C6 C7 -179.0(7) . 2_777
C6 C5 C7 C6 1.5(13) . 2_777
C4 C5 C7 C6 179.0(7) . 2_777
N3 C9 C10 N4 -3.3(12) . .
N3 C11 C12 C13 99.3(9) . .
N3 C11 C12 C14 -79.1(9) . .
C14 C12 C13 C14 0.0(12) . 2_655
C11 C12 C13 C14 -178.5(7) . 2_655
C13 C12 C14 C13 0.0(12) . 2_655
C11 C12 C14 C13 178.4(7) . 2_655
O1 C15 C16 C17 -3.2(9) . .
O2 C15 C16 C17 176.8(5) . .
O1 C15 C16 C21 176.4(6) . .
O2 C15 C16 C21 -3.6(9) . .
C21 C16 C17 C18 1.6(9) . .
C15 C16 C17 C18 -178.8(5) . .
C16 C17 C18 C19 -0.1(9) . .
C16 C17 C18 C22 -178.0(5) . .
C17 C18 C19 C20 -0.3(9) . .
C22 C18 C19 C20 177.6(6) . .
C18 C19 C20 C21 -0.9(9) . .
C18 C19 C20 N5 -179.9(5) . .
C19 C20 C21 C16 2.5(9) . .
N5 C20 C21 C16 -178.6(5) . .
C17 C16 C21 C20 -2.8(9) . .
C15 C16 C21 C20 177.6(6) . .
C19 C18 C22 O3 -171.3(6) . .
C17 C18 C22 O3 6.5(9) . .
C19 C18 C22 O4 7.5(9) . .
C17 C18 C22 O4 -174.6(5) . .
N2 C1 N1 C3 1.6(6) . .
N2 C1 N1 Co1 -178.9(3) . .
C2 C3 N1 C1 -1.9(7) . .
C2 C3 N1 Co1 178.7(4) . .
O4 Co1 N1 C1 18.8(4) 1_655 .
O2 Co1 N1 C1 -86.4(4) . .
N4 Co1 N1 C1 131.6(4) . .
O1 Co1 N1 C1 -143.2(4) . .
O4 Co1 N1 C3 -161.9(5) 1_655 .
O2 Co1 N1 C3 93.0(5) . .
N4 Co1 N1 C3 -49.0(6) . .
O1 Co1 N1 C3 36.2(5) . .
N1 C1 N2 C2 -0.7(6) . .
N1 C1 N2 C4 176.8(5) . .
C3 C2 N2 C1 -0.5(7) . .
C3 C2 N2 C4 -177.9(6) . .
C5 C4 N2 C1 116.6(7) . .
C5 C4 N2 C2 -66.5(9) . .
C10 C9 N3 C8 2.9(11) . .
C10 C9 N3 C11 -170.5(8) . .
N4 C8 N3 C9 -1.6(9) . .
N4 C8 N3 C11 171.9(6) . .
C12 C11 N3 C9 76.9(11) . .
C12 C11 N3 C8 -95.3(10) . .
N3 C8 N4 C10 -0.4(8) . .
N3 C8 N4 Co1 170.4(4) . .
C9 C10 N4 C8 2.3(11) . .
C9 C10 N4 Co1 -169.1(7) . .
O4 Co1 N4 C8 -177.7(6) 1_655 .
O2 Co1 N4 C8 -73.4(6) . .
N1 Co1 N4 C8 69.0(6) . .
O1 Co1 N4 C8 -18.2(6) . .
O4 Co1 N4 C10 -8.5(7) 1_655 .
O2 Co1 N4 C10 95.8(7) . .
N1 Co1 N4 C10 -121.7(7) . .
O1 Co1 N4 C10 151.0(7) . .
O2 C15 O1 Co1 3.7(5) . .
C16 C15 O1 Co1 -176.3(5) . .
O4 Co1 O1 C15 -10.7(7) 1_655 .
O2 Co1 O1 C15 -2.3(3) . .
N1 Co1 O1 C15 112.1(4) . .
N4 Co1 O1 C15 -117.9(4) . .
O1 C15 O2 Co1 -4.4(6) . .
C16 C15 O2 Co1 175.6(4) . .
O4 Co1 O2 C15 179.2(4) 1_655 .
N1 Co1 O2 C15 -75.0(4) . .
N4 Co1 O2 C15 75.0(4) . .
O1 Co1 O2 C15 2.3(3) . .
O3 C22 O4 Co1 0.6(8) . 1_455
C18 C22 O4 Co1 -178.2(4) . 1_455
