#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/09/4500983.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_4500983
loop_
_publ_author_name
'Guo, Jiao'
'Ma, Jian-Fang'
'Liu, Bo'
'Kan, Wei-Qiu'
'Yang, Jin'
_publ_section_title
;
 A Series of 2D and 3D Metal--Organic Frameworks Based on a Flexible
 Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates:
 Syntheses, Structures, and Photoluminescent Properties
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3609
_journal_paper_doi               10.1021/cg200581w
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         '2(C41 H36 Co2 N4 O14),(H2O)'
_chemical_formula_sum            'C82 H74 Co4 N8 O29'
_chemical_formula_weight         1871.20
_chemical_name_systematic
;
 ?
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.349(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.1284(7)
_cell_length_b                   8.8472(3)
_cell_length_c                   26.6561(9)
_cell_measurement_reflns_used    2448
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.8
_cell_volume                     4057.9(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0975
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            7525
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    0.893
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.237
_refine_diff_density_min         -0.233
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.725
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         3575
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.725
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0291
_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)+(0.0072P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0376
_refine_ls_wR_factor_ref         0.0397
_reflns_number_gt                2218
_reflns_number_total             3575
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg200581w_si_002.cif
_cod_data_source_block           Compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4057.9(2)
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4500983
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_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
Co1 Co 0.725195(18) 0.70846(4) 0.553412(12) 0.02194(8) Uani 1 1 d .
C1 C 0.85627(14) 0.9236(3) 0.55942(9) 0.0256(6) Uani 1 1 d .
C2 C 0.88878(13) 1.0555(2) 0.53808(8) 0.0205(5) Uani 1 1 d .
C3 C 0.96807(13) 1.0772(2) 0.55211(8) 0.0224(6) Uani 1 1 d .
H3 H 1.0014 1.0102 0.5753 0.027 Uiso 1 1 calc R
C4 C 0.99872(12) 1.1987(3) 0.53183(8) 0.0211(5) Uani 1 1 d .
C5 C 0.94785(13) 1.3013(3) 0.49940(8) 0.0284(6) Uani 1 1 d .
H5 H 0.9676 1.3839 0.4862 0.034 Uiso 1 1 calc R
C6 C 0.86848(13) 1.2832(3) 0.48634(9) 0.0338(6) Uani 1 1 d .
H6 H 0.8350 1.3544 0.4653 0.041 Uiso 1 1 calc R
C7 C 0.83907(14) 1.1578(2) 0.50489(9) 0.0275(6) Uani 1 1 d .
H7 H 0.7857 1.1424 0.4949 0.033 Uiso 1 1 calc R
C8 C 1.08423(13) 1.2123(3) 0.54309(8) 0.0244(5) Uani 1 1 d .
C9 C 0.87587(15) 0.5187(3) 0.59050(9) 0.0304(6) Uani 1 1 d .
H9 H 0.8936 0.5816 0.5688 0.036 Uiso 1 1 calc R
C10 C 0.92726(15) 0.4179(3) 0.62194(9) 0.0328(6) Uani 1 1 d .
H10 H 0.9783 0.4133 0.6214 0.039 Uiso 1 1 calc R
C11 C 0.90236(14) 0.3234(2) 0.65429(9) 0.0281(6) Uani 1 1 d .
C12 C 0.82601(15) 0.3314(3) 0.65278(9) 0.0360(7) Uani 1 1 d .
H12 H 0.8068 0.2670 0.6733 0.043 Uiso 1 1 calc R
C13 C 0.77875(15) 0.4369(3) 0.62022(9) 0.0355(7) Uani 1 1 d .
H13 H 0.7273 0.4425 0.6198 0.043 Uiso 1 1 calc R
C14 C 0.93148(13) 0.1274(3) 0.71946(9) 0.0314(6) Uani 1 1 d .
H14A H 0.8896 0.0634 0.6986 0.038 Uiso 1 1 calc R
H14B H 0.9126 0.1856 0.7438 0.038 Uiso 1 1 calc R
C15 C 1.0000 0.0312(3) 0.7500 0.0267(8) Uani 1 2 d S
C16 C 1.02492(15) -0.0667(3) 0.71116(9) 0.0399(7) Uani 1 1 d .
H16A H 0.9827 -0.1326 0.6920 0.048 Uiso 1 1 calc R
H16B H 1.0392 -0.0038 0.6859 0.048 Uiso 1 1 calc R
C17 C 1.11826(16) -0.2625(3) 0.71623(10) 0.0386(7) Uani 1 1 d .
C18 C 1.09024(16) -0.2920(3) 0.66300(9) 0.0473(7) Uani 1 1 d .
H18 H 1.0490 -0.2371 0.6409 0.057 Uiso 1 1 calc R
C19 C 1.12565(19) -0.4066(3) 0.64344(11) 0.0553(9) Uani 1 1 d .
H19 H 1.1063 -0.4274 0.6075 0.066 Uiso 1 1 calc R
C20 C 1.21068(18) -0.4556(3) 0.72342(12) 0.0624(9) Uani 1 1 d .
H20 H 1.2525 -0.5112 0.7446 0.075 Uiso 1 1 calc R
C21 C 1.18033(18) -0.3462(3) 0.74729(11) 0.0568(9) Uani 1 1 d .
H21 H 1.2008 -0.3285 0.7834 0.068 Uiso 1 1 calc R
N1 N 0.80187(11) 0.5321(2) 0.58908(7) 0.0260(5) Uani 1 1 d .
N2 N 1.18485(15) -0.4883(3) 0.67216(10) 0.0558(7) Uani 1 1 d .
O5 O 0.95615(9) 0.22740(18) 0.68538(6) 0.0352(4) Uani 1 1 d .
O6 O 1.09060(11) -0.15477(19) 0.74158(6) 0.0500(5) Uani 1 1 d .
O1 O 0.79512(9) 0.85887(15) 0.52827(5) 0.0222(4) Uani 1 1 d .
O2 O 0.88800(10) 0.88513(19) 0.60571(6) 0.0430(5) Uani 1 1 d .
O3 O 1.11202(9) 1.32196(17) 0.52419(6) 0.0349(4) Uani 1 1 d .
O4 O 1.12837(9) 1.11184(17) 0.56966(6) 0.0308(4) Uani 1 1 d .
O2W O 1.1350(6) 0.1489(11) 0.6755(3) 0.103(4) Uani 0.25 1 d P
O1W O 0.75801(10) 0.8069(2) 0.62846(6) 0.0382(4) Uani 1 1 d D
H1A H 0.8015(9) 0.848(3) 0.6308(9) 0.057 Uiso 1 1 d D
H1B H 0.7335(14) 0.871(2) 0.6407(9) 0.057 Uiso 1 1 d D
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
O1 Co1 O1W 91.32(6) . .
O1 Co1 N1 103.63(7) . .
O1W Co1 N1 85.87(7) . .
O1 Co1 O4 161.70(6) . 3_445
O1W Co1 O4 88.68(6) . 3_445
N1 Co1 O4 94.62(7) . 3_445
O1 Co1 O1 77.40(6) . 7_666
O1W Co1 O1 168.69(6) . 7_666
N1 Co1 O1 97.41(6) . 7_666
O4 Co1 O1 101.79(6) 3_445 7_666
O1 Co1 O3 100.87(6) . 3_445
O1W Co1 O3 95.84(6) . 3_445
N1 Co1 O3 155.40(6) . 3_445
O4 Co1 O3 60.96(5) 3_445 3_445
O1 Co1 O3 85.71(6) 7_666 3_445
O1 Co1 C8 131.55(7) . 3_445
O1W Co1 C8 94.20(6) . 3_445
N1 Co1 C8 124.75(8) . 3_445
O4 Co1 C8 30.35(6) 3_445 3_445
O1 Co1 C8 92.80(6) 7_666 3_445
O3 Co1 C8 30.69(6) 3_445 3_445
O2 C1 O1 123.8(2) . .
O2 C1 C2 118.6(2) . .
O1 C1 C2 117.5(2) . .
C3 C2 C7 119.7(2) . .
C3 C2 C1 120.4(2) . .
C7 C2 C1 119.8(2) . .
C2 C3 C4 120.7(2) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 118.6(2) . .
C5 C4 C8 121.3(2) . .
C3 C4 C8 120.1(2) . .
C6 C5 C4 121.2(2) . .
C6 C5 H5 119.4 . .
C4 C5 H5 119.4 . .
C5 C6 C7 119.4(2) . .
C5 C6 H6 120.3 . .
C7 C6 H6 120.3 . .
C2 C7 C6 120.3(2) . .
C2 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
O4 C8 O3 120.2(2) . .
O4 C8 C4 119.7(2) . .
O3 C8 C4 120.0(2) . .
O4 C8 Co1 58.44(11) . 3
O3 C8 Co1 62.02(11) . 3
C4 C8 Co1 172.60(16) . 3
N1 C9 C10 124.0(2) . .
N1 C9 H9 118.0 . .
C10 C9 H9 118.0 . .
C9 C10 C11 119.0(2) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
O5 C11 C12 124.9(2) . .
O5 C11 C10 116.6(2) . .
C12 C11 C10 118.5(2) . .
C11 C12 C13 118.4(2) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
N1 C13 C12 124.3(2) . .
N1 C13 H13 117.8 . .
C12 C13 H13 117.8 . .
O5 C14 C15 108.66(17) . .
O5 C14 H14A 110.0 . .
C15 C14 H14A 110.0 . .
O5 C14 H14B 110.0 . .
C15 C14 H14B 110.0 . .
H14A C14 H14B 108.3 . .
C14 C15 C14 111.6(3) 2_756 .
C14 C15 C16 108.44(13) 2_756 .
C14 C15 C16 108.84(12) . .
C14 C15 C16 108.84(12) 2_756 2_756
C14 C15 C16 108.44(13) . 2_756
C16 C15 C16 110.7(3) . 2_756
O6 C16 C15 107.13(17) . .
O6 C16 H16A 110.3 . .
C15 C16 H16A 110.3 . .
O6 C16 H16B 110.3 . .
C15 C16 H16B 110.3 . .
H16A C16 H16B 108.5 . .
O6 C17 C18 125.1(2) . .
O6 C17 C21 116.0(2) . .
C18 C17 C21 118.9(2) . .
C17 C18 C19 117.6(3) . .
C17 C18 H18 121.2 . .
C19 C18 H18 121.2 . .
N2 C19 C18 124.8(3) . .
N2 C19 H19 117.6 . .
C18 C19 H19 117.6 . .
N2 C20 C21 124.8(3) . .
N2 C20 H20 117.6 . .
C21 C20 H20 117.6 . .
C20 C21 C17 118.1(3) . .
C20 C21 H21 120.9 . .
C17 C21 H21 120.9 . .
C9 N1 C13 115.7(2) . .
C9 N1 Co1 126.38(15) . .
C13 N1 Co1 117.06(15) . .
C19 N2 C20 115.8(2) . .
C11 O5 C14 117.61(17) . .
C17 O6 C16 118.08(19) . .
C1 O1 Co1 124.15(13) . .
C1 O1 Co1 127.30(12) . 7_666
Co1 O1 Co1 102.60(6) . 7_666
C8 O3 Co1 87.29(14) . 3
C8 O4 Co1 91.20(13) . 3
Co1 O1W H1A 103.0(16) . .
Co1 O1W H1B 128.5(18) . .
H1A O1W H1B 106(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.0885(13) .
Co1 O1W 2.0893(16) .
Co1 N1 2.1065(18) .
Co1 O4 2.1161(14) 3_445
Co1 O1 2.1741(13) 7_666
Co1 O3 2.1951(16) 3_445
Co1 C8 2.483(2) 3_445
C1 O2 1.234(3) .
C1 O1 1.291(3) .
C1 C2 1.498(3) .
C2 C3 1.380(3) .
C2 C7 1.382(3) .
C3 C4 1.394(3) .
C3 H3 0.9300 .
C4 C5 1.386(3) .
C4 C8 1.488(3) .
C5 C6 1.379(3) .
C5 H5 0.9300 .
C6 C7 1.388(3) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O4 1.255(3) .
C8 O3 1.268(2) .
C8 Co1 2.483(2) 3
C9 N1 1.335(3) .
C9 C10 1.369(3) .
C9 H9 0.9300 .
C10 C11 1.375(3) .
C10 H10 0.9300 .
C11 O5 1.360(3) .
C11 C12 1.374(3) .
C12 C13 1.375(3) .
C12 H12 0.9300 .
C13 N1 1.339(3) .
C13 H13 0.9300 .
C14 O5 1.436(2) .
C14 C15 1.514(3) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C14 1.514(3) 2_756
C15 C16 1.524(3) .
C15 C16 1.524(3) 2_756
C16 O6 1.440(3) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 O6 1.353(2) .
C17 C18 1.373(3) .
C17 C21 1.383(4) .
C18 C19 1.386(3) .
C18 H18 0.9300 .
C19 N2 1.321(4) .
C19 H19 0.9300 .
C20 N2 1.329(3) .
C20 C21 1.365(3) .
C20 H20 0.9300 .
C21 H21 0.9300 .
O1 Co1 2.1741(13) 7_666
O3 Co1 2.1951(16) 3
O4 Co1 2.1161(14) 3
O1W H1A 0.852(10) .
O1W H1B 0.850(9) .
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
O2 C1 C2 C3 38.4(3) . .
O1 C1 C2 C3 -143.2(2) . .
O2 C1 C2 C7 -140.4(2) . .
O1 C1 C2 C7 38.0(3) . .
C7 C2 C3 C4 -2.0(3) . .
C1 C2 C3 C4 179.13(19) . .
C2 C3 C4 C5 3.2(3) . .
C2 C3 C4 C8 -174.03(18) . .
C3 C4 C5 C6 -1.3(3) . .
C8 C4 C5 C6 175.89(19) . .
C4 C5 C6 C7 -1.7(3) . .
C3 C2 C7 C6 -1.0(3) . .
C1 C2 C7 C6 177.79(18) . .
C5 C6 C7 C2 2.9(3) . .
C5 C4 C8 O4 -175.2(2) . .
C3 C4 C8 O4 2.0(3) . .
C5 C4 C8 O3 2.1(3) . .
C3 C4 C8 O3 179.29(18) . .
C5 C4 C8 Co1 -102.0(14) . 3
C3 C4 C8 Co1 75.1(14) . 3
N1 C9 C10 C11 0.1(4) . .
C9 C10 C11 O5 -178.8(2) . .
C9 C10 C11 C12 1.6(3) . .
O5 C11 C12 C13 178.5(2) . .
C10 C11 C12 C13 -2.1(3) . .
C11 C12 C13 N1 0.8(4) . .
O5 C14 C15 C14 56.21(13) . 2_756
O5 C14 C15 C16 -63.4(3) . .
O5 C14 C15 C16 176.09(17) . 2_756
C14 C15 C16 O6 57.7(3) 2_756 .
C14 C15 C16 O6 179.3(2) . .
C16 C15 C16 O6 -61.63(15) 2_756 .
O6 C17 C18 C19 179.8(2) . .
C21 C17 C18 C19 0.8(4) . .
C17 C18 C19 N2 -0.7(5) . .
N2 C20 C21 C17 -0.1(5) . .
O6 C17 C21 C20 -179.5(2) . .
C18 C17 C21 C20 -0.4(4) . .
C10 C9 N1 C13 -1.3(3) . .
C10 C9 N1 Co1 167.75(19) . .
C12 C13 N1 C9 0.8(4) . .
C12 C13 N1 Co1 -169.3(2) . .
O1 Co1 N1 C9 -4.8(2) . .
O1W Co1 N1 C9 -95.15(19) . .
O4 Co1 N1 C9 176.51(18) 3_445 .
O1 Co1 N1 C9 73.96(19) 7_666 .
O3 Co1 N1 C9 169.85(16) 3_445 .
C8 Co1 N1 C9 172.59(17) 3_445 .
O1 Co1 N1 C13 164.15(16) . .
O1W Co1 N1 C13 73.80(17) . .
O4 Co1 N1 C13 -14.54(18) 3_445 .
O1 Co1 N1 C13 -117.09(17) 7_666 .
O3 Co1 N1 C13 -21.2(3) 3_445 .
C8 Co1 N1 C13 -18.5(2) 3_445 .
C18 C19 N2 C20 0.2(5) . .
C21 C20 N2 C19 0.2(5) . .
C12 C11 O5 C14 -0.4(3) . .
C10 C11 O5 C14 -179.91(19) . .
C15 C14 O5 C11 179.77(18) . .
C18 C17 O6 C16 2.2(4) . .
C21 C17 O6 C16 -178.7(2) . .
C15 C16 O6 C17 173.29(19) . .
O2 C1 O1 Co1 13.0(3) . .
C2 C1 O1 Co1 -165.30(13) . .
O2 C1 O1 Co1 -135.03(18) . 7_666
C2 C1 O1 Co1 46.7(3) . 7_666
O1W Co1 O1 C1 26.32(17) . .
N1 Co1 O1 C1 -59.74(17) . .
O4 Co1 O1 C1 116.1(2) 3_445 .
O1 Co1 O1 C1 -154.4(2) 7_666 .
O3 Co1 O1 C1 122.53(17) 3_445 .
C8 Co1 O1 C1 123.12(17) 3_445 .
O1W Co1 O1 Co1 -179.25(7) . 7_666
N1 Co1 O1 Co1 94.68(7) . 7_666
O4 Co1 O1 Co1 -89.48(18) 3_445 7_666
O1 Co1 O1 Co1 0.0 7_666 7_666
O3 Co1 O1 Co1 -83.05(6) 3_445 7_666
C8 Co1 O1 Co1 -82.45(9) 3_445 7_666
O4 C8 O3 Co1 5.4(2) . 3
C4 C8 O3 Co1 -171.87(17) . 3
O3 C8 O4 Co1 -5.6(2) . 3
C4 C8 O4 Co1 171.68(17) . 3
