#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/80/2018029.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2018029
loop_
_publ_author_name
'Yuan, Ning-Ning'
'Liu, Qi-Kui'
'Ma, Jian-Ping'
'Huang, Ru-Qi'
'Dong, Yu-Bin'
_publ_section_title
;
 Two threefold interpenetrated two-dimensional frameworks based on a
 flexible imidazole-containing ligand and benzene-1,4-dicarboxylate
;
_journal_coeditor_code           EM3039
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m119
_journal_page_last               m122
_journal_paper_doi               10.1107/S0108270111009383
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C8 H4 O4) (C22 H22 N4 O2)] , 2H2 O'
_chemical_formula_moiety         'C30 H26 Co N4 O6, 2(H2 O)'
_chemical_formula_sum            'C30 H30 Co N4 O8'
_chemical_formula_weight         633.51
_chemical_name_systematic
;
poly[[(μ₂-benzene-1,4-dicarboxylato){μ₂-1,2-bis[2-(1H-1,3-
imidazol-1-ylmethyl)phenoxy]ethane}cobalt(II)] dihydrate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.724(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.612(3)
_cell_length_b                   14.896(3)
_cell_length_c                   12.711(3)
_cell_measurement_reflns_used    1214
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.846
_cell_measurement_theta_min      2.735
_cell_volume                     2895.9(10)
_computing_cell_refinement       'SMART (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0588
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7231
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.9437
_exptl_absorpt_correction_T_min  0.8490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         2547
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0651P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1271
_reflns_number_gt                1861
_reflns_number_total             2547
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            em3039.cif
_cod_data_source_block           II
_cod_original_cell_volume        2896.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2018029
_cod_database_fobs_code          2018029
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.6175(2) 0.8515(2) 0.2664(3) 0.0526(9) Uani d . 1 . .
H H1 0.6531 0.8592 0.3495 0.063 Uiso calc R 1 . .
C C2 0.6193(2) 0.7806(2) 0.2026(3) 0.0539(9) Uani d . 1 . .
H H2 0.6554 0.7305 0.2330 0.065 Uiso calc R 1 . .
C C3 0.5215(2) 0.8749(2) 0.0821(3) 0.0486(9) Uani d . 1 . .
H H3 0.4773 0.9011 0.0119 0.058 Uiso calc R 1 . .
C C4 0.5289(3) 0.7326(2) -0.0149(3) 0.0539(9) Uani d . 1 . .
H H4A 0.5780 0.6961 -0.0036 0.065 Uiso calc R 1 . .
H H4B 0.5077 0.7654 -0.0901 0.065 Uiso calc R 1 . .
C C5 0.4568(2) 0.6719(2) -0.0238(3) 0.0463(8) Uani d . 1 . .
C C6 0.4356(2) 0.5968(2) -0.0986(3) 0.0470(8) Uani d . 1 . .
C C7 0.3691(3) 0.5401(2) -0.1118(3) 0.0563(10) Uani d . 1 . .
H H7 0.3544 0.4903 -0.1624 0.068 Uiso calc R 1 . .
C C8 0.3249(3) 0.5572(3) -0.0504(4) 0.0638(11) Uani d . 1 . .
H H8 0.2809 0.5184 -0.0589 0.077 Uiso calc R 1 . .
C C9 0.3447(3) 0.6307(3) 0.0230(4) 0.0634(10) Uani d . 1 . .
H H9 0.3143 0.6420 0.0641 0.076 Uiso calc R 1 . .
C C10 0.4106(2) 0.6881(2) 0.0356(3) 0.0556(10) Uani d . 1 . .
H H10 0.4238 0.7384 0.0850 0.067 Uiso calc R 1 . .
C C11 0.4664(3) 0.5113(2) -0.2308(3) 0.0593(11) Uani d . 1 . .
H H11A 0.4083 0.5164 -0.3009 0.071 Uiso calc R 1 . .
H H11B 0.4694 0.4561 -0.1884 0.071 Uiso calc R 1 . .
C C12 0.3733(2) 1.1107(2) 0.1391(4) 0.0483(9) Uani d . 1 . .
C C13 0.3076(2) 1.1814(2) 0.0665(3) 0.0415(8) Uani d . 1 . .
C C14 0.2577(2) 1.1756(2) -0.0581(3) 0.0524(9) Uani d . 1 . .
H H14 0.2629 1.1255 -0.0978 0.063 Uiso calc R 1 . .
C C15 0.2997(2) 1.2567(2) 0.1243(3) 0.0512(9) Uani d . 1 . .
H H15 0.3332 1.2616 0.2081 0.061 Uiso calc R 1 . .
Co Co1 0.5000 1.00653(4) 0.2500 0.0436(2) Uani d S 1 . .
N N1 0.55500(18) 0.91105(17) 0.1900(3) 0.0469(7) Uani d . 1 . .
N N2 0.55827(18) 0.79594(17) 0.0849(2) 0.0451(7) Uani d . 1 . .
O O1 0.48445(17) 0.58633(14) -0.1531(2) 0.0562(7) Uani d . 1 . .
O O2 0.39016(16) 1.04909(16) 0.0851(2) 0.0557(6) Uani d . 1 . .
O O3 0.41257(17) 1.11396(15) 0.2520(2) 0.0607(7) Uani d . 1 . .
O O4 0.2984(2) 0.9234(3) -0.1337(3) 0.1167(12) Uani d . 1 . .
H H4C 0.3310 0.9203 -0.1659 0.175 Uiso d R 1 . .
H H4D 0.3183 0.9584 -0.0726 0.175 Uiso d R 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 N1 . . 109.4(3) ?
C2 C1 H1 . . 125.3 ?
N1 C1 H1 . . 125.3 ?
C1 C2 N2 . . 106.8(3) ?
C1 C2 H2 . . 126.6 ?
N2 C2 H2 . . 126.6 ?
N1 C3 N2 . . 111.9(3) ?
N1 C3 H3 . . 124.1 ?
N2 C3 H3 . . 124.1 ?
N2 C4 C5 . . 112.0(3) ?
N2 C4 H4A . . 109.2 ?
C5 C4 H4A . . 109.2 ?
N2 C4 H4B . . 109.2 ?
C5 C4 H4B . . 109.2 ?
H4A C4 H4B . . 107.9 ?
C10 C5 C6 . . 118.9(3) ?
C10 C5 C4 . . 123.7(3) ?
C6 C5 C4 . . 117.4(3) ?
O1 C6 C7 . . 125.6(3) ?
O1 C6 C5 . . 114.7(3) ?
C7 C6 C5 . . 119.7(3) ?
C8 C7 C6 . . 120.1(3) ?
C8 C7 H7 . . 119.9 ?
C6 C7 H7 . . 119.9 ?
C9 C8 C7 . . 120.8(4) ?
C9 C8 H8 . . 119.6 ?
C7 C8 H8 . . 119.6 ?
C8 C9 C10 . . 119.3(4) ?
C8 C9 H9 . . 120.3 ?
C10 C9 H9 . . 120.3 ?
C5 C10 C9 . . 121.1(3) ?
C5 C10 H10 . . 119.5 ?
C9 C10 H10 . . 119.5 ?
O1 C11 C11 . 2_654 106.7(3) ?
O1 C11 H11A . . 110.4 ?
C11 C11 H11A 2_654 . 110.4 ?
O1 C11 H11B . . 110.4 ?
C11 C11 H11B 2_654 . 110.4 ?
H11A C11 H11B . . 108.6 ?
O3 C12 O2 . . 120.4(3) ?
O3 C12 C13 . . 120.0(3) ?
O2 C12 C13 . . 119.6(3) ?
O3 C12 Co1 . . 62.93(18) ?
O2 C12 Co1 . . 58.15(17) ?
C13 C12 Co1 . . 170.1(2) ?
C14 C13 C15 . . 119.0(3) ?
C14 C13 C12 . . 121.4(3) ?
C15 C13 C12 . . 119.5(3) ?
C15 C14 C13 7_575 . 120.7(3) ?
C15 C14 H14 7_575 . 119.7 ?
C13 C14 H14 . . 119.7 ?
C14 C15 C13 7_575 . 120.3(3) ?
C14 C15 H15 7_575 . 119.8 ?
C13 C15 H15 . . 119.8 ?
N1 Co1 N1 2_655 . 93.09(15) ?
N1 Co1 O2 2_655 2_655 101.85(10) ?
N1 Co1 O2 . 2_655 101.84(10) ?
N1 Co1 O2 2_655 . 101.84(10) ?
N1 Co1 O2 . . 101.85(10) ?
O2 Co1 O2 2_655 . 145.28(13) ?
N1 Co1 O3 2_655 2_655 161.86(11) ?
N1 Co1 O3 . 2_655 92.12(10) ?
O2 Co1 O3 2_655 2_655 60.06(9) ?
O2 Co1 O3 . 2_655 94.06(9) ?
N1 Co1 O3 2_655 . 92.12(10) ?
N1 Co1 O3 . . 161.86(10) ?
O2 Co1 O3 2_655 . 94.06(9) ?
O2 Co1 O3 . . 60.06(9) ?
O3 Co1 O3 2_655 . 88.26(13) ?
N1 Co1 C12 2_655 2_655 131.99(12) ?
N1 Co1 C12 . 2_655 100.64(10) ?
O2 Co1 C12 2_655 2_655 30.40(10) ?
O2 Co1 C12 . 2_655 119.49(11) ?
O3 Co1 C12 2_655 2_655 29.88(9) ?
O3 Co1 C12 . 2_655 88.64(10) ?
N1 Co1 C12 2_655 . 100.64(10) ?
N1 Co1 C12 . . 131.99(12) ?
O2 Co1 C12 2_655 . 119.49(11) ?
O2 Co1 C12 . . 30.40(10) ?
O3 Co1 C12 2_655 . 88.64(10) ?
O3 Co1 C12 . . 29.88(9) ?
C12 Co1 C12 2_655 . 103.29(16) ?
C3 N1 C1 . . 105.2(3) ?
C3 N1 Co1 . . 128.2(2) ?
C1 N1 Co1 . . 122.8(2) ?
C3 N2 C2 . . 106.7(3) ?
C3 N2 C4 . . 126.2(3) ?
C2 N2 C4 . . 126.5(3) ?
C6 O1 C11 . . 117.8(3) ?
C12 O2 Co1 . . 91.5(2) ?
C12 O2 H4D . . 138.5 ?
Co1 O2 H4D . . 122.8 ?
C12 O3 Co1 . . 87.2(2) ?
H4C O4 H4D . . 113.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.342(4) ?
C1 N1 . 1.371(4) ?
C1 H1 . 0.9300 ?
C2 N2 . 1.361(4) ?
C2 H2 . 0.9300 ?
C3 N1 . 1.310(4) ?
C3 N2 . 1.335(4) ?
C3 H3 . 0.9300 ?
C4 N2 . 1.455(4) ?
C4 C5 . 1.516(5) ?
C4 H4A . 0.9700 ?
C4 H4B . 0.9700 ?
C5 C10 . 1.379(5) ?
C5 C6 . 1.394(4) ?
C6 O1 . 1.354(4) ?
C6 C7 . 1.385(5) ?
C7 C8 . 1.372(5) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.366(5) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.385(5) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 O1 . 1.419(4) ?
C11 C11 2_654 1.488(8) ?
C11 H11A . 0.9700 ?
C11 H11B . 0.9700 ?
C12 O3 . 1.247(4) ?
C12 O2 . 1.266(4) ?
C12 C13 . 1.497(5) ?
C12 Co1 . 2.501(3) ?
C13 C14 . 1.381(5) ?
C13 C15 . 1.385(4) ?
C14 C15 7_575 1.380(4) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
Co1 N1 . 2.068(3) ?
Co1 O2 . 2.125(2) ?
Co1 O3 . 2.230(2) ?
Co1 C12 2_655 2.501(4) ?
O4 H4C . 0.8546 ?
O4 H4D . 0.8535 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O4 H4D O2 . 0.85 2.22 3.066(4) 170.6
O4 H4C O3 6_575 0.85 2.21 3.059(4) 169.7
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 C1 C2 N2 . . . . 0.7(4) ?
N2 C4 C5 C10 . . . . 14.3(5) ?
N2 C4 C5 C6 . . . . -167.0(3) ?
C10 C5 C6 O1 . . . . -180.0(3) ?
C4 C5 C6 O1 . . . . 1.3(4) ?
C10 C5 C6 C7 . . . . -0.1(5) ?
C4 C5 C6 C7 . . . . -178.8(3) ?
O1 C6 C7 C8 . . . . 179.1(3) ?
C5 C6 C7 C8 . . . . -0.7(5) ?
C6 C7 C8 C9 . . . . 0.9(6) ?
C7 C8 C9 C10 . . . . -0.3(6) ?
C6 C5 C10 C9 . . . . 0.7(5) ?
C4 C5 C10 C9 . . . . 179.3(3) ?
C8 C9 C10 C5 . . . . -0.6(6) ?
O3 C12 C13 C14 . . . . -174.4(3) ?
O2 C12 C13 C14 . . . . 7.2(5) ?
O3 C12 C13 C15 . . . . 9.1(5) ?
O2 C12 C13 C15 . . . . -169.2(3) ?
C15 C13 C14 C15 . . . 7_575 -0.5(5) ?
C12 C13 C14 C15 . . . 7_575 -176.9(3) ?
C14 C13 C15 C14 . . . 7_575 0.5(5) ?
C12 C13 C15 C14 . . . 7_575 177.0(3) ?
O3 C12 Co1 N1 . . . 2_655 75.4(2) ?
O2 C12 Co1 N1 . . . 2_655 -95.3(2) ?
O3 C12 Co1 N1 . . . . 179.50(18) ?
O2 C12 Co1 N1 . . . . 8.8(2) ?
O3 C12 Co1 O2 . . . 2_655 -34.8(2) ?
O2 C12 Co1 O2 . . . 2_655 154.45(15) ?
O3 C12 Co1 O2 . . . . 170.7(3) ?
O3 C12 Co1 O3 . . . 2_655 -88.9(2) ?
O2 C12 Co1 O3 . . . 2_655 100.39(19) ?
O2 C12 Co1 O3 . . . . -170.7(3) ?
O3 C12 Co1 C12 . . . 2_655 -62.61(18) ?
O2 C12 Co1 C12 . . . 2_655 126.6(2) ?
N2 C3 N1 C1 . . . . 0.4(4) ?
N2 C3 N1 Co1 . . . . -157.9(2) ?
C2 C1 N1 C3 . . . . -0.7(4) ?
C2 C1 N1 Co1 . . . . 159.0(2) ?
N1 Co1 N1 C3 2_655 . . . 91.5(3) ?
O2 Co1 N1 C3 2_655 . . . -165.8(3) ?
O2 Co1 N1 C3 . . . . -11.3(3) ?
O3 Co1 N1 C3 2_655 . . . -105.9(3) ?
O3 Co1 N1 C3 . . . . -15.0(5) ?
C12 Co1 N1 C3 2_655 . . . -134.8(3) ?
C12 Co1 N1 C3 . . . . -15.8(3) ?
N1 Co1 N1 C1 2_655 . . . -63.3(2) ?
O2 Co1 N1 C1 2_655 . . . 39.5(3) ?
O2 Co1 N1 C1 . . . . -166.1(2) ?
O3 Co1 N1 C1 2_655 . . . 99.3(3) ?
O3 Co1 N1 C1 . . . . -169.8(3) ?
C12 Co1 N1 C1 2_655 . . . 70.4(3) ?
C12 Co1 N1 C1 . . . . -170.6(2) ?
N1 C3 N2 C2 . . . . 0.1(4) ?
N1 C3 N2 C4 . . . . 171.1(3) ?
C1 C2 N2 C3 . . . . -0.5(4) ?
C1 C2 N2 C4 . . . . -171.4(3) ?
C5 C4 N2 C3 . . . . -84.2(4) ?
C5 C4 N2 C2 . . . . 85.0(4) ?
C7 C6 O1 C11 . . . . 0.3(5) ?
C5 C6 O1 C11 . . . . -179.9(3) ?
C11 C11 O1 C6 2_654 . . . -175.0(3) ?
O3 C12 O2 Co1 . . . . -9.6(3) ?
C13 C12 O2 Co1 . . . . 168.8(3) ?
O3 C12 O2 H4D . . . . 138.2 ?
C13 C12 O2 H4D . . . . -43.5 ?
Co1 C12 O2 H4D . . . . 147.7 ?
N1 Co1 O2 C12 2_655 . . . 90.9(2) ?
N1 Co1 O2 C12 . . . . -173.36(19) ?
O2 Co1 O2 C12 2_655 . . . -41.24(17) ?
O3 Co1 O2 C12 2_655 . . . -80.3(2) ?
O3 Co1 O2 C12 . . . . 5.30(18) ?
C12 Co1 O2 C12 2_655 . . . -63.8(3) ?
N1 Co1 O2 H4D 2_655 . . . -64.2 ?
N1 Co1 O2 H4D . . . . 31.5 ?
O2 Co1 O2 H4D 2_655 . . . 163.7 ?
O3 Co1 O2 H4D 2_655 . . . 124.6 ?
O3 Co1 O2 H4D . . . . -149.8 ?
C12 Co1 O2 H4D 2_655 . . . 141.1 ?
C12 Co1 O2 H4D . . . . -155.1 ?
O2 C12 O3 Co1 . . . . 9.1(3) ?
C13 C12 O3 Co1 . . . . -169.2(3) ?
N1 Co1 O3 C12 2_655 . . . -107.8(2) ?
N1 Co1 O3 C12 . . . . -1.2(4) ?
O2 Co1 O3 C12 2_655 . . . 150.1(2) ?
O2 Co1 O3 C12 . . . . -5.39(18) ?
O3 Co1 O3 C12 2_655 . . . 90.3(2) ?
C12 Co1 O3 C12 2_655 . . . 120.2(2) ?
