#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/95/7209584.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_7209584
loop_
_publ_author_name
'Guo, Xiang-Guang'
'Yang, Wen-Bin'
'Wu, Xiao-Yuan'
'Zhang, Qi-Kai'
'Lin, Lang'
'Yu, RongMin'
'Lu, Can-Zhong'
_publ_section_title
;
 Stoichiometry, temperature, solvent, metal-directed syntheses of
 metal--organic frameworks based on flexible V-shaped
 methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate
 acids
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              3654
_journal_paper_doi               10.1039/c3ce00048f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C19 H19 Br2 Co N4 O4.5'
_chemical_formula_weight         594.13
_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                 119.568(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.639(3)
_cell_length_b                   13.6527(10)
_cell_length_c                   19.0257(14)
_cell_measurement_temperature    293(2)
_cell_volume                     4436.9(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'superNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0524
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8551
_diffrn_reflns_theta_full        72.07
_diffrn_reflns_theta_max         72.07
_diffrn_reflns_theta_min         4.15
_exptl_absorpt_coefficient_mu    10.598
_exptl_absorpt_correction_T_max  0.3628
_exptl_absorpt_correction_T_min  0.2993
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.704
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         4305
_refine_ls_number_restraints     117
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0960
_refine_ls_R_factor_gt           0.0646
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0750P)²+22.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1609
_refine_ls_wR_factor_ref         0.1786
_reflns_number_gt                2960
_reflns_number_total             4305
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce00048f.txt
_cod_data_source_block           a1
_cod_original_cell_volume        4436.9(8)
_cod_original_sg_symbol_H-M      c2/c
_cod_original_formula_sum        'C19 H19 Br2 Co N4 O4.50'
_cod_database_code               7209584
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.44990(5) 0.23468(8) 0.45030(6) 0.0405(3) Uani 1 1 d . . .
Br3 Br 0.6979(5) 0.4684(4) 0.4196(7) 0.0804(18) Uani 0.57(3) 1 d PDU A 1
O1 O 0.5439(9) 0.3454(19) 0.3894(9) 0.107(6) Uani 0.57(3) 1 d PDU A 1
O2 O 0.5641(10) 0.2439(15) 0.4939(9) 0.053(3) Uani 0.57(3) 1 d PU A 1
O3 O 0.4458(11) 0.1980(17) 0.5467(12) 0.060(4) Uani 0.57(3) 1 d PU A 1
O4 O 0.4125(13) 0.0421(17) 0.5359(10) 0.080(6) Uani 0.57(3) 1 d PU A 1
Br3B Br 0.6896(9) 0.4693(7) 0.4278(10) 0.091(3) Uani 0.43(3) 1 d PDU A 2
O1B O 0.5647(12) 0.3832(13) 0.424(2) 0.096(7) Uani 0.43(3) 1 d PDU A 2
O2B O 0.5520(13) 0.2480(19) 0.4628(16) 0.058(4) Uani 0.43(3) 1 d PU A 2
O4B O 0.4495(17) 0.037(2) 0.5455(14) 0.077(7) Uani 0.43(3) 1 d PU A 2
O3B O 0.4734(13) 0.187(2) 0.5564(16) 0.051(4) Uani 0.43(3) 1 d PU A 2
N1 N 0.4145(3) 0.4411(5) 0.3937(4) 0.0539(15) Uani 1 1 d . . .
H1C H 0.4597 0.4463 0.3974 0.065 Uiso 1 1 calc R A .
N2 N 0.3910(3) 0.3620(4) 0.4188(3) 0.0465(13) Uani 1 1 d . A .
N3 N 0.1188(3) 0.5446(5) 0.1212(3) 0.0508(15) Uani 1 1 d . . .
H3A H 0.1011 0.5217 0.0732 0.061 Uiso 1 1 calc R . .
N4 N 0.1107(3) 0.6399(5) 0.1379(3) 0.0464(13) Uani 1 1 d . . .
C3 C 0.1462(4) 0.6446(5) 0.2201(4) 0.0451(16) Uani 1 1 d . . .
C4 C 0.1754(3) 0.5534(6) 0.2525(3) 0.0435(16) Uani 1 1 d . . .
C5 C 0.2192(4) 0.5273(6) 0.3417(4) 0.0534(18) Uani 1 1 d . A .
H5A H 0.2291 0.5869 0.3731 0.064 Uiso 1 1 calc R . .
H5B H 0.1862 0.4855 0.3536 0.064 Uiso 1 1 calc R . .
C6 C 0.2957(4) 0.4761(5) 0.3679(3) 0.0435(15) Uani 1 1 d . . .
C7 C 0.3173(4) 0.3834(6) 0.4031(4) 0.0450(15) Uani 1 1 d . A .
C9 C 0.1572(4) 0.4921(6) 0.1877(4) 0.0499(17) Uani 1 1 d . . .
C11 C 0.1717(5) 0.3837(7) 0.1848(5) 0.073(2) Uani 1 1 d . . .
H11A H 0.1307 0.3564 0.1355 0.110 Uiso 1 1 calc R . .
H11B H 0.1725 0.3515 0.2300 0.110 Uiso 1 1 calc R . .
H11C H 0.2212 0.3744 0.1869 0.110 Uiso 1 1 calc R . .
C12 C 0.1435(5) 0.7369(6) 0.2592(4) 0.064(2) Uani 1 1 d . . .
H12A H 0.1326 0.7905 0.2224 0.096 Uiso 1 1 calc R . .
H12B H 0.1930 0.7474 0.3070 0.096 Uiso 1 1 calc R . .
H12C H 0.1031 0.7329 0.2735 0.096 Uiso 1 1 calc R . .
C13 C 0.3590(4) 0.5103(6) 0.3624(4) 0.0492(16) Uani 1 1 d . A .
C15 C 0.3712(5) 0.6054(7) 0.3313(6) 0.083(3) Uani 1 1 d . . .
H15A H 0.3218 0.6295 0.2893 0.125 Uiso 1 1 calc R A .
H15B H 0.4059 0.5957 0.3099 0.125 Uiso 1 1 calc R . .
H15C H 0.3936 0.6522 0.3746 0.125 Uiso 1 1 calc R . .
C16 C 0.2727(4) 0.3107(8) 0.4228(6) 0.074(3) Uani 1 1 d . . .
H16A H 0.3087 0.2688 0.4657 0.111 Uiso 1 1 calc R A .
H16B H 0.2405 0.2719 0.3759 0.111 Uiso 1 1 calc R . .
H16C H 0.2403 0.3444 0.4397 0.111 Uiso 1 1 calc R . .
C18 C 0.5884(4) 0.2986(9) 0.4507(4) 0.066(2) Uani 1 1 d D . .
C21 C 0.4502(4) 0.1141(7) 0.5779(4) 0.0556(19) Uani 1 1 d . . .
C23 C 0.4706(4) 0.1148(6) 0.6680(4) 0.0533(18) Uani 1 1 d D A .
C24 C 0.4872(3) 0.0298(6) 0.7079(4) 0.0455(16) Uani 1 1 d D . .
H24A H 0.4820 -0.0288 0.6809 0.055 Uiso 0.453(2) 1 calc PR A 1
Br1 Br 0.43172(11) 0.32667(14) 0.65486(11) 0.0773(7) Uani 0.547(2) 1 d PD A 2
C25 C 0.4870(4) 0.1986(7) 0.7079(5) 0.087(3) Uani 1 1 d DU . .
H25A H 0.4814 0.2574 0.6810 0.105 Uiso 0.547(2) 1 calc PR A 1
Br2 Br 0.45804(10) -0.09510(16) 0.66560(11) 0.0638(7) Uani 0.453(2) 1 d PD A 2
C26 C 0.6724(4) 0.2778(7) 0.4754(4) 0.056(2) Uani 1 1 d . . .
C27 C 0.7235(4) 0.3413(6) 0.4673(4) 0.0527(18) Uani 1 1 d D . .
C28 C 0.7994(4) 0.3134(7) 0.4919(4) 0.057(2) Uani 1 1 d . . .
H28A H 0.8326 0.3573 0.4862 0.068 Uiso 1 1 calc R . .
O1W O 0.5000 0.451(3) 0.2500 0.47(3) Uani 1 2 d S . .
H1A H 0.5141 0.4151 0.2912 0.712 Uiso 0.50 1 d PR . .
H1B H 0.4859 0.4151 0.2088 0.712 Uiso 0.50 1 d PR . .
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'
Br Br -0.6763 1.2805 '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
O2B Co1 O3B 101.9(7) . .
O2B Co1 O3 116.0(6) . .
O3B Co1 O3 14.8(6) . .
O2B Co1 O2 15.3(6) . .
O3B Co1 O2 87.0(6) . .
O3 Co1 O2 100.8(5) . .
O2B Co1 N4 108.8(9) . 4_545
O3B Co1 N4 113.1(8) . 4_545
O3 Co1 N4 110.1(7) . 4_545
O2 Co1 N4 118.7(5) . 4_545
O2B Co1 N2 111.7(8) . .
O3B Co1 N2 114.0(8) . .
O3 Co1 N2 102.6(7) . .
O2 Co1 N2 116.0(6) . .
N4 Co1 N2 107.2(2) 4_545 .
C18 O2 Co1 116.5(11) . .
C21 O3 Co1 130.4(16) . .
C18 O2B Co1 141.9(19) . .
C21 O3B Co1 132.2(18) . .
C13 N1 N2 112.1(5) . .
C13 N1 H1C 123.9 . .
N2 N1 H1C 123.9 . .
N1 N2 C7 105.3(6) . .
N1 N2 Co1 123.3(4) . .
C7 N2 Co1 130.3(5) . .
C9 N3 N4 111.7(5) . .
C9 N3 H3A 124.2 . .
N4 N3 H3A 124.2 . .
C3 N4 N3 105.1(5) . .
C3 N4 Co1 133.9(5) . 4
N3 N4 Co1 120.9(4) . 4
N4 C3 C4 109.5(6) . .
N4 C3 C12 119.5(6) . .
C4 C3 C12 130.9(6) . .
C3 C4 C9 106.3(6) . .
C3 C4 C5 126.2(6) . .
C9 C4 C5 127.5(7) . .
C6 C5 C4 113.7(5) . .
C6 C5 H5A 108.8 . .
C4 C5 H5A 108.8 . .
C6 C5 H5B 108.8 . .
C4 C5 H5B 108.8 . .
H5A C5 H5B 107.7 . .
C13 C6 C7 105.8(6) . .
C13 C6 C5 127.5(7) . .
C7 C6 C5 126.8(6) . .
N2 C7 C6 109.8(6) . .
N2 C7 C16 119.8(7) . .
C6 C7 C16 130.4(6) . .
N3 C9 C4 107.5(6) . .
N3 C9 C11 121.6(6) . .
C4 C9 C11 130.9(7) . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C3 C12 H12A 109.5 . .
C3 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C3 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 C6 107.0(6) . .
N1 C13 C15 122.4(7) . .
C6 C13 C15 130.6(7) . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C7 C16 H16A 109.5 . .
C7 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C7 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O2B C18 O1 107.0(14) . .
O2B C18 O1B 120.7(17) . .
O1 C18 O1B 36.5(11) . .
O2B C18 O2 21.3(13) . .
O1 C18 O2 124.0(12) . .
O1B C18 O2 125.1(16) . .
O2B C18 C26 123.0(16) . .
O1 C18 C26 123.2(11) . .
O1B C18 C26 115.7(13) . .
O2 C18 C26 111.5(10) . .
O4B C21 O3B 116(2) . .
O4B C21 O4 31.0(11) . .
O3B C21 O4 127.9(15) . .
O4B C21 O3 124.2(17) . .
O3B C21 O3 23.0(10) . .
O4 C21 O3 121.8(15) . .
O4B C21 C23 119.6(14) . .
O3B C21 C23 114.9(14) . .
O4 C21 C23 117.2(10) . .
O3 C21 C23 115.4(12) . .
C25 C23 C24 120.1(7) . .
C25 C23 C21 119.7(7) . .
C24 C23 C21 118.7(7) . .
C23 C24 C24 119.5(4) . 2_656
C23 C24 Br2 128.0(5) . .
C24 C24 Br2 110.6(2) 2_656 .
C23 C24 H24A 120.2 . .
C24 C24 H24A 120.2 2_656 .
Br2 C24 H24A 16.3 . .
C23 C25 C25 119.9(5) . 2_656
C23 C25 Br1 122.5(6) . .
C25 C25 Br1 111.4(3) 2_656 .
C23 C25 H25A 120.1 . .
C25 C25 H25A 120.1 2_656 .
Br1 C25 H25A 25.7 . .
C28 C26 C27 117.6(6) 7_656 .
C28 C26 C18 116.4(8) 7_656 .
C27 C26 C18 126.1(9) . .
C28 C27 C26 120.6(8) . .
C28 C27 Br3B 120.0(8) . .
C26 C27 Br3B 119.3(8) . .
C28 C27 Br3 113.6(7) . .
C26 C27 Br3 125.8(6) . .
Br3B C27 Br3 8.3(9) . .
C27 C28 C26 121.8(8) . 7_656
C27 C28 H28A 119.1 . .
C26 C28 H28A 119.1 7_656 .
H1A O1W H1B 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2B 1.91(2) .
Co1 O3B 1.95(3) .
Co1 O3 1.94(2) .
Co1 O2 1.975(17) .
Co1 N4 1.984(6) 4_545
Co1 N2 2.010(6) .
Br3 C27 1.908(10) .
O1 C18 1.235(12) .
O2 C18 1.36(2) .
O3 C21 1.27(2) .
O4 C21 1.253(19) .
Br3B C27 1.889(11) .
O1B C18 1.253(14) .
O2B C18 1.10(3) .
O4B C21 1.22(3) .
O3B C21 1.24(3) .
N1 C13 1.339(9) .
N1 N2 1.351(8) .
N1 H1C 0.8600 .
N2 C7 1.357(8) .
N3 C9 1.320(9) .
N3 N4 1.368(8) .
N3 H3A 0.8600 .
N4 C3 1.363(8) .
N4 Co1 1.984(6) 4
C3 C4 1.382(10) .
C3 C12 1.478(10) .
C4 C9 1.382(9) .
C4 C5 1.520(8) .
C5 C6 1.502(9) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C13 1.380(9) .
C6 C7 1.396(10) .
C7 C16 1.489(10) .
C9 C11 1.515(11) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C15 1.495(11) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C18 C26 1.504(10) .
C21 C23 1.556(9) .
C23 C25 1.323(11) .
C23 C24 1.336(10) .
C24 C24 1.421(12) 2_656
C24 Br2 1.852(7) .
C24 H24A 0.9300 .
Br1 C25 2.042(9) .
C25 C25 1.420(16) 2_656
C25 H25A 0.9300 .
C26 C28 1.381(12) 7_656
C26 C27 1.390(11) .
C27 C28 1.378(10) .
C28 C26 1.381(12) 7_656
C28 H28A 0.9300 .
O1W H1A 0.8501 .
O1W H1B 0.8501 .
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
N1 H1C O1B 0.86 2.05 2.822(19) 148.8 .
N1 H1C O1 0.86 2.21 2.895(18) 136.0 .
N3 H3A O4B 0.86 1.98 2.77(2) 152.3 4
N3 H3A O4 0.86 1.98 2.738(19) 146.9 4
O1W H1A O1 0.85 1.91 2.76(3) 173.8 .
O1W H1A O1B 0.85 2.26 3.06(3) 155.3 .
O1W H1B O1 0.85 1.91 2.76(3) 173.8 2_655
O1W H1B O1B 0.85 2.26 3.06(3) 155.3 2_655
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
O2B Co1 O2 C18 28(4) . .
O3B Co1 O2 C18 -164.3(14) . .
O3 Co1 O2 C18 -158.9(14) . .
N4 Co1 O2 C18 80.9(14) 4_545 .
N2 Co1 O2 C18 -49.0(14) . .
O2B Co1 O3 C21 -83.2(19) . .
O3B Co1 O3 C21 -64(5) . .
O2 Co1 O3 C21 -85.3(18) . .
N4 Co1 O3 C21 40.9(18) 4_545 .
N2 Co1 O3 C21 154.7(16) . .
O3B Co1 O2B C18 -134(4) . .
O3 Co1 O2B C18 -129(3) . .
O2 Co1 O2B C18 -121(8) . .
N4 Co1 O2B C18 106(4) 4_545 .
N2 Co1 O2B C18 -12(4) . .
O2B Co1 O3B C21 -126(2) . .
O3 Co1 O3B C21 71(5) . .
O2 Co1 O3B C21 -130(2) . .
N4 Co1 O3B C21 -10(3) 4_545 .
N2 Co1 O3B C21 113(2) . .
C13 N1 N2 C7 -0.6(8) . .
C13 N1 N2 Co1 168.6(5) . .
O2B Co1 N2 N1 12.6(11) . .
O3B Co1 N2 N1 127.5(9) . .
O3 Co1 N2 N1 137.5(8) . .
O2 Co1 N2 N1 28.7(8) . .
N4 Co1 N2 N1 -106.5(5) 4_545 .
O2B Co1 N2 C7 178.9(10) . .
O3B Co1 N2 C7 -66.2(10) . .
O3 Co1 N2 C7 -56.2(8) . .
O2 Co1 N2 C7 -165.0(7) . .
N4 Co1 N2 C7 59.8(6) 4_545 .
C9 N3 N4 C3 -0.4(8) . .
C9 N3 N4 Co1 -176.3(5) . 4
N3 N4 C3 C4 0.1(7) . .
Co1 N4 C3 C4 175.2(5) 4 .
N3 N4 C3 C12 -175.8(6) . .
Co1 N4 C3 C12 -0.7(10) 4 .
N4 C3 C4 C9 0.2(7) . .
C12 C3 C4 C9 175.5(7) . .
N4 C3 C4 C5 179.8(6) . .
C12 C3 C4 C5 -4.8(12) . .
C3 C4 C5 C6 -128.3(7) . .
C9 C4 C5 C6 51.3(10) . .
C4 C5 C6 C13 59.0(10) . .
C4 C5 C6 C7 -121.1(7) . .
N1 N2 C7 C6 0.2(7) . .
Co1 N2 C7 C6 -167.9(4) . .
N1 N2 C7 C16 179.4(7) . .
Co1 N2 C7 C16 11.2(10) . .
C13 C6 C7 N2 0.3(7) . .
C5 C6 C7 N2 -179.7(6) . .
C13 C6 C7 C16 -178.8(8) . .
C5 C6 C7 C16 1.3(12) . .
N4 N3 C9 C4 0.6(8) . .
N4 N3 C9 C11 178.4(7) . .
C3 C4 C9 N3 -0.4(8) . .
C5 C4 C9 N3 179.9(6) . .
C3 C4 C9 C11 -178.1(8) . .
C5 C4 C9 C11 2.3(13) . .
N2 N1 C13 C6 0.8(8) . .
N2 N1 C13 C15 179.2(7) . .
C7 C6 C13 N1 -0.6(8) . .
C5 C6 C13 N1 179.3(6) . .
C7 C6 C13 C15 -178.8(8) . .
C5 C6 C13 C15 1.1(13) . .
Co1 O2B C18 O1 -30(4) . .
Co1 O2B C18 O1B 7(4) . .
Co1 O2B C18 O2 115(8) . .
Co1 O2B C18 C26 178(2) . .
Co1 O2 C18 O2B -37(5) . .
Co1 O2 C18 O1 4(2) . .
Co1 O2 C18 O1B 48(2) . .
Co1 O2 C18 C26 -163.9(8) . .
Co1 O3B C21 O4B 46(3) . .
Co1 O3B C21 O4 12(4) . .
Co1 O3B C21 O3 -71(5) . .
Co1 O3B C21 C23 -167.9(16) . .
Co1 O3 C21 O4B -8(3) . .
Co1 O3 C21 O3B 67(5) . .
Co1 O3 C21 O4 -45(3) . .
Co1 O3 C21 C23 161.7(11) . .
O4B C21 C23 C25 166.4(18) . .
O3B C21 C23 C25 21.2(15) . .
O4 C21 C23 C25 -158.4(15) . .
O3 C21 C23 C25 -4.3(13) . .
O4B C21 C23 C24 0(2) . .
O3B C21 C23 C24 -145.0(13) . .
O4 C21 C23 C24 35.3(17) . .
O3 C21 C23 C24 -170.5(11) . .
C25 C23 C24 C24 8.2(7) . 2_656
C21 C23 C24 C24 174.4(7) . 2_656
C25 C23 C24 Br2 170.8(5) . .
C21 C23 C24 Br2 -23.0(7) . .
C24 C23 C25 C25 -7.8(9) . 2_656
C21 C23 C25 C25 -173.9(9) . 2_656
C24 C23 C25 Br1 -157.8(5) . .
C21 C23 C25 Br1 36.1(7) . .
O2B C18 C26 C28 6(2) . 7_656
O1 C18 C26 C28 -141.7(19) . 7_656
O1B C18 C26 C28 176.9(19) . 7_656
O2 C18 C26 C28 25.9(12) . 7_656
O2B C18 C26 C27 -175.1(19) . .
O1 C18 C26 C27 38(2) . .
O1B C18 C26 C27 -4(2) . .
O2 C18 C26 C27 -154.9(10) . .
C28 C26 C27 C28 -0.4(11) 7_656 .
C18 C26 C27 C28 -179.6(6) . .
C28 C26 C27 Br3B -176.9(8) 7_656 .
C18 C26 C27 Br3B 3.8(11) . .
C28 C26 C27 Br3 176.9(7) 7_656 .
C18 C26 C27 Br3 -2.4(11) . .
C26 C27 C28 C26 0.4(11) . 7_656
Br3B C27 C28 C26 176.9(8) . 7_656
Br3 C27 C28 C26 -177.2(7) . 7_656
