#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/21/2232184.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_2232184
loop_
_publ_author_name
'Li, Zong-Sheng'
'Ng, Seik Weng'
_publ_section_title
;
 catena-Poly[[[(2,2'-bipyridine-κ²N,N')cobalt(II)]-μ-(E)-3,3'-(but-2-ene-2,3-diyl)dibenzoato-κ⁴O,O':O'',O''']
 hemihydrate]
;
_journal_coeditor_code           BT5671
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1546
_journal_paper_doi               10.1107/S1600536811041699
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C18 H14 O4) (C10 H8 N2)], 0.5H2 O'
_chemical_formula_moiety         'C28 H22 Co N2 O4, 0.5H2 O'
_chemical_formula_sum            'C28 H23 Co N2 O4.5'
_chemical_formula_weight         518.41
_chemical_name_systematic
;
catena-Poly[[[(2,2'-bipyridine-κ²N,N')cobalt(II)]-
μ-(E)-3,3'-(but-2-ene-2,3-diyl)dibenzoato-
κ⁴O,O':O'',O'''] hemihydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 97.845(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7028(9)
_cell_length_b                   19.872(2)
_cell_length_c                   14.5181(14)
_cell_measurement_reflns_used    2090
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.05
_cell_measurement_theta_min      2.58
_cell_volume                     2487.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       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  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14695
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.9645
_exptl_absorpt_correction_T_min  0.8220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.233
_refine_diff_density_min         -0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         5667
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0535P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1190
_reflns_number_gt                3153
_reflns_number_total             5667
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5671.cif
_cod_data_source_block           I
_cod_original_cell_volume        2487.2(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C28 H23 Co N2 O4.50'
_cod_database_code               2232184
_cod_database_fobs_code          2232184
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
Co Co1 0.72581(4) 0.433780(19) 0.65569(3) 0.05411(15) Uani d . 1 1
O O1 0.6416(2) 0.49163(10) 0.76819(13) 0.0630(5) Uani d . 1 1
O O2 0.6521(2) 0.53304(10) 0.63038(14) 0.0648(6) Uani d . 1 1
O O3 -0.0199(2) 0.88087(10) 0.90530(14) 0.0629(5) Uani d . 1 1
O O4 -0.2047(2) 0.83205(10) 0.81231(14) 0.0659(6) Uani d . 1 1
O O1W 0.6236(8) 0.4682(3) 0.9574(3) 0.125(2) Uani d PU 0.50 1
H H11 0.6219 0.4775 0.9009 0.188 Uiso d PR 0.50 1
H H12 0.5499 0.4883 0.9774 0.188 Uiso d PR 0.50 1
N N1 0.9576(3) 0.44197(11) 0.71738(18) 0.0564(6) Uani d . 1 1
N N2 0.8468(3) 0.41977(11) 0.54323(17) 0.0555(6) Uani d . 1 1
C C1 0.6243(3) 0.54056(14) 0.7128(2) 0.0507(7) Uani d . 1 1
C C2 0.5758(3) 0.60753(14) 0.74361(19) 0.0468(6) Uani d . 1 1
C C3 0.5469(3) 0.66010(15) 0.68050(19) 0.0526(7) Uani d . 1 1
H H3 0.5576 0.6534 0.6183 0.063 Uiso calc R 1 1
C C4 0.5025(3) 0.72181(15) 0.7100(2) 0.0590(8) Uani d . 1 1
H H4 0.4817 0.7567 0.6674 0.071 Uiso calc R 1 1
C C5 0.4887(3) 0.73232(15) 0.8025(2) 0.0571(7) Uani d . 1 1
H H5 0.4581 0.7744 0.8215 0.069 Uiso calc R 1 1
C C6 0.5193(3) 0.68143(14) 0.86754(18) 0.0497(7) Uani d . 1 1
C C7 0.5619(3) 0.61921(14) 0.83632(18) 0.0490(7) Uani d . 1 1
H H7 0.5817 0.5842 0.8788 0.059 Uiso calc R 1 1
C C8 0.5183(3) 0.69319(14) 0.96955(19) 0.0547(7) Uani d . 1 1
C C9 0.6782(4) 0.69610(19) 1.0248(2) 0.0845(11) Uani d . 1 1
H H9A 0.7295 0.7366 1.0096 0.127 Uiso calc R 1 1
H H9B 0.7373 0.6577 1.0100 0.127 Uiso calc R 1 1
H H9C 0.6696 0.6958 1.0900 0.127 Uiso calc R 1 1
C C10 0.3872(4) 0.70120(14) 1.00524(19) 0.0569(7) Uani d . 1 1
C C11 0.3799(4) 0.71311(19) 1.1077(2) 0.0856(11) Uani d . 1 1
H H11A 0.3364 0.6743 1.1338 0.128 Uiso calc R 1 1
H H11B 0.3160 0.7516 1.1148 0.128 Uiso calc R 1 1
H H11C 0.4825 0.7210 1.1393 0.128 Uiso calc R 1 1
C C12 0.2327(3) 0.70095(14) 0.94623(19) 0.0528(7) Uani d . 1 1
C C13 0.1647(4) 0.64333(16) 0.9054(2) 0.0682(9) Uani d . 1 1
H H13 0.2170 0.6025 0.9137 0.082 Uiso calc R 1 1
C C14 0.0202(4) 0.64560(16) 0.8527(2) 0.0714(9) Uani d . 1 1
H H14 -0.0243 0.6062 0.8268 0.086 Uiso calc R 1 1
C C15 -0.0583(3) 0.70517(15) 0.83819(19) 0.0570(7) Uani d . 1 1
H H15 -0.1548 0.7063 0.8017 0.068 Uiso calc R 1 1
C C16 0.0063(3) 0.76353(14) 0.87795(18) 0.0494(7) Uani d . 1 1
C C17 -0.0770(3) 0.82881(14) 0.8639(2) 0.0516(7) Uani d . 1 1
C C18 0.1496(3) 0.76036(14) 0.93232(19) 0.0522(7) Uani d . 1 1
H H18 0.1916 0.7995 0.9605 0.063 Uiso calc R 1 1
C C19 1.0053(4) 0.45294(16) 0.8071(3) 0.0727(9) Uani d . 1 1
H H19 0.9311 0.4587 0.8468 0.087 Uiso calc R 1 1
C C20 1.1591(4) 0.45614(18) 0.8438(3) 0.0845(11) Uani d . 1 1
H H20 1.1881 0.4646 0.9068 0.101 Uiso calc R 1 1
C C21 1.2687(4) 0.44668(18) 0.7861(4) 0.0916(12) Uani d . 1 1
H H21 1.3736 0.4483 0.8094 0.110 Uiso calc R 1 1
C C22 1.2228(4) 0.43482(16) 0.6937(3) 0.0752(10) Uani d . 1 1
H H22 1.2961 0.4282 0.6536 0.090 Uiso calc R 1 1
C C23 1.0648(3) 0.43281(13) 0.6601(2) 0.0560(7) Uani d . 1 1
C C24 1.0024(3) 0.42047(12) 0.5620(2) 0.0534(7) Uani d . 1 1
C C25 1.0942(4) 0.41078(15) 0.4925(3) 0.0668(9) Uani d . 1 1
H H25 1.2017 0.4130 0.5057 0.080 Uiso calc R 1 1
C C26 1.0246(4) 0.39784(16) 0.4041(3) 0.0786(10) Uani d . 1 1
H H26 1.0850 0.3902 0.3570 0.094 Uiso calc R 1 1
C C27 0.8642(4) 0.39610(17) 0.3846(2) 0.0772(10) Uani d . 1 1
H H27 0.8151 0.3868 0.3250 0.093 Uiso calc R 1 1
C C28 0.7805(4) 0.40859(16) 0.4565(2) 0.0690(9) Uani d . 1 1
H H28 0.6728 0.4093 0.4440 0.083 Uiso calc R 1 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
N2 Co1 O4 . 2_546 96.57(8)
N2 Co1 O2 . . 99.46(8)
O4 Co1 O2 2_546 . 156.66(8)
N2 Co1 N1 . . 77.60(10)
O4 Co1 N1 2_546 . 95.09(8)
O2 Co1 N1 . . 104.82(8)
N2 Co1 O3 . 2_546 95.36(9)
O4 Co1 O3 2_546 2_546 61.75(7)
O2 Co1 O3 . 2_546 99.77(8)
N1 Co1 O3 . 2_546 155.20(8)
N2 Co1 O1 . . 155.19(8)
O4 Co1 O1 2_546 . 106.98(8)
O2 Co1 O1 . . 60.85(7)
N1 Co1 O1 . . 92.34(9)
O3 Co1 O1 2_546 . 102.51(8)
C1 O1 Co1 . . 87.29(16)
C1 O2 Co1 . . 92.23(17)
C17 O3 Co1 . 2_556 87.33(16)
C17 O4 Co1 . 2_556 90.83(16)
H11 O1W H12 . . 108.6
C19 N1 C23 . . 118.5(3)
C19 N1 Co1 . . 125.8(2)
C23 N1 Co1 . . 115.7(2)
C28 N2 C24 . . 119.2(3)
C28 N2 Co1 . . 124.42(19)
C24 N2 Co1 . . 116.3(2)
O1 C1 O2 . . 119.5(3)
O1 C1 C2 . . 121.0(3)
O2 C1 C2 . . 119.4(3)
C7 C2 C3 . . 118.8(3)
C7 C2 C1 . . 120.5(3)
C3 C2 C1 . . 120.6(2)
C4 C3 C2 . . 120.0(3)
C4 C3 H3 . . 120.0
C2 C3 H3 . . 120.0
C3 C4 C5 . . 120.3(3)
C3 C4 H4 . . 119.9
C5 C4 H4 . . 119.9
C4 C5 C6 . . 121.2(3)
C4 C5 H5 . . 119.4
C6 C5 H5 . . 119.4
C5 C6 C7 . . 117.7(3)
C5 C6 C8 . . 122.2(3)
C7 C6 C8 . . 120.0(2)
C6 C7 C2 . . 122.0(3)
C6 C7 H7 . . 119.0
C2 C7 H7 . . 119.0
C10 C8 C6 . . 121.8(3)
C10 C8 C9 . . 124.6(3)
C6 C8 C9 . . 113.6(2)
C8 C9 H9A . . 109.5
C8 C9 H9B . . 109.5
H9A C9 H9B . . 109.5
C8 C9 H9C . . 109.5
H9A C9 H9C . . 109.5
H9B C9 H9C . . 109.5
C8 C10 C12 . . 122.1(2)
C8 C10 C11 . . 123.8(3)
C12 C10 C11 . . 114.1(3)
C10 C11 H11A . . 109.5
C10 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C10 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
C13 C12 C18 . . 117.3(3)
C13 C12 C10 . . 123.2(3)
C18 C12 C10 . . 119.5(3)
C12 C13 C14 . . 120.9(3)
C12 C13 H13 . . 119.5
C14 C13 H13 . . 119.5
C15 C14 C13 . . 120.8(3)
C15 C14 H14 . . 119.6
C13 C14 H14 . . 119.6
C14 C15 C16 . . 119.7(3)
C14 C15 H15 . . 120.1
C16 C15 H15 . . 120.1
C15 C16 C18 . . 119.0(3)
C15 C16 C17 . . 120.8(3)
C18 C16 C17 . . 120.2(3)
O4 C17 O3 . . 120.0(3)
O4 C17 C16 . . 120.2(3)
O3 C17 C16 . . 119.8(3)
O4 C17 Co1 . 2_556 58.40(14)
O3 C17 Co1 . 2_556 61.68(14)
C16 C17 Co1 . 2_556 177.01(19)
C16 C18 C12 . . 122.3(3)
C16 C18 H18 . . 118.9
C12 C18 H18 . . 118.9
N1 C19 C20 . . 123.1(4)
N1 C19 H19 . . 118.5
C20 C19 H19 . . 118.5
C21 C20 C19 . . 118.7(4)
C21 C20 H20 . . 120.6
C19 C20 H20 . . 120.6
C22 C21 C20 . . 119.4(3)
C22 C21 H21 . . 120.3
C20 C21 H21 . . 120.3
C21 C22 C23 . . 119.3(3)
C21 C22 H22 . . 120.3
C23 C22 H22 . . 120.3
N1 C23 C22 . . 120.9(3)
N1 C23 C24 . . 115.2(2)
C22 C23 C24 . . 123.9(3)
N2 C24 C25 . . 121.1(3)
N2 C24 C23 . . 115.2(2)
C25 C24 C23 . . 123.7(3)
C26 C25 C24 . . 119.1(3)
C26 C25 H25 . . 120.5
C24 C25 H25 . . 120.5
C25 C26 C27 . . 120.1(3)
C25 C26 H26 . . 119.9
C27 C26 H26 . . 119.9
C28 C27 C26 . . 117.6(3)
C28 C27 H27 . . 121.2
C26 C27 H27 . . 121.2
N2 C28 C27 . . 122.9(3)
N2 C28 H28 . . 118.6
C27 C28 H28 . . 118.6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Co1 N2 . 2.079(2)
Co1 O4 2_546 2.088(2)
Co1 O2 . 2.091(2)
Co1 N1 . 2.099(2)
Co1 O3 2_546 2.1602(18)
Co1 O1 . 2.2030(19)
O1 C1 . 1.257(3)
O2 C1 . 1.262(3)
O3 C17 . 1.264(3)
O3 Co1 2_556 2.1602(18)
O4 C17 . 1.254(3)
O4 Co1 2_556 2.088(2)
O1W H11 . 0.8400
O1W H12 . 0.8401
N1 C19 . 1.330(4)
N1 C23 . 1.344(4)
N2 C28 . 1.330(3)
N2 C24 . 1.345(3)
C1 C2 . 1.483(4)
C2 C7 . 1.387(3)
C2 C3 . 1.390(4)
C3 C4 . 1.371(4)
C3 H3 . 0.9300
C4 C5 . 1.382(4)
C4 H4 . 0.9300
C5 C6 . 1.384(4)
C5 H5 . 0.9300
C6 C7 . 1.385(4)
C6 C8 . 1.501(4)
C7 H7 . 0.9300
C8 C10 . 1.325(4)
C8 C9 . 1.510(4)
C9 H9A . 0.9600
C9 H9B . 0.9600
C9 H9C . 0.9600
C10 C12 . 1.492(4)
C10 C11 . 1.515(4)
C11 H11A . 0.9600
C11 H11B . 0.9600
C11 H11C . 0.9600
C12 C13 . 1.385(4)
C12 C18 . 1.385(4)
C13 C14 . 1.381(4)
C13 H13 . 0.9300
C14 C15 . 1.369(4)
C14 H14 . 0.9300
C15 C16 . 1.381(3)
C15 H15 . 0.9300
C16 C18 . 1.383(4)
C16 C17 . 1.487(4)
C17 Co1 2_556 2.451(3)
C18 H18 . 0.9300
C19 C20 . 1.372(4)
C19 H19 . 0.9300
C20 C21 . 1.366(5)
C20 H20 . 0.9300
C21 C22 . 1.367(5)
C21 H21 . 0.9300
C22 C23 . 1.395(4)
C22 H22 . 0.9300
C23 C24 . 1.473(4)
C24 C25 . 1.384(4)
C25 C26 . 1.366(4)
C25 H25 . 0.9300
C26 C27 . 1.387(5)
C26 H26 . 0.9300
C27 C28 . 1.375(4)
C27 H27 . 0.9300
C28 H28 . 0.9300
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_publ_flag
O1w H11 O1 0.84 1.98 2.812(5) 173 yes
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
N2 Co1 O1 C1 . 38.9(3)
O4 Co1 O1 C1 2_546 -160.09(16)
O2 Co1 O1 C1 . -1.82(15)
N1 Co1 O1 C1 . 103.86(16)
O3 Co1 O1 C1 2_546 -96.14(16)
N2 Co1 O2 C1 . -162.06(17)
O4 Co1 O2 C1 2_546 65.2(3)
N1 Co1 O2 C1 . -82.50(18)
O3 Co1 O2 C1 2_546 100.77(17)
O1 Co1 O2 C1 . 1.81(15)
N2 Co1 N1 C19 . -179.5(2)
O4 Co1 N1 C19 2_546 -83.9(2)
O2 Co1 N1 C19 . 83.8(2)
O3 Co1 N1 C19 2_546 -103.9(3)
O1 Co1 N1 C19 . 23.4(2)
N2 Co1 N1 C23 . -1.95(18)
O4 Co1 N1 C23 2_546 93.68(19)
O2 Co1 N1 C23 . -98.61(19)
O3 Co1 N1 C23 2_546 73.7(3)
O1 Co1 N1 C23 . -159.04(19)
O4 Co1 N2 C28 2_546 86.1(2)
O2 Co1 N2 C28 . -76.9(2)
N1 Co1 N2 C28 . 179.9(2)
O3 Co1 N2 C28 2_546 24.0(2)
O1 Co1 N2 C28 . -112.2(3)
O4 Co1 N2 C24 2_546 -91.99(19)
O2 Co1 N2 C24 . 105.04(19)
N1 Co1 N2 C24 . 1.81(18)
O3 Co1 N2 C24 2_546 -154.10(19)
O1 Co1 N2 C24 . 69.7(3)
Co1 O1 C1 O2 . 3.0(3)
Co1 O1 C1 C2 . -175.3(2)
Co1 O2 C1 O1 . -3.2(3)
Co1 O2 C1 C2 . 175.1(2)
O1 C1 C2 C7 . 5.8(4)
O2 C1 C2 C7 . -172.5(2)
O1 C1 C2 C3 . -175.7(2)
O2 C1 C2 C3 . 6.0(4)
C7 C2 C3 C4 . -1.3(4)
C1 C2 C3 C4 . -179.8(2)
C2 C3 C4 C5 . 1.0(4)
C3 C4 C5 C6 . 0.2(4)
C4 C5 C6 C7 . -1.1(4)
C4 C5 C6 C8 . 174.7(3)
C5 C6 C7 C2 . 0.8(4)
C8 C6 C7 C2 . -175.1(2)
C3 C2 C7 C6 . 0.4(4)
C1 C2 C7 C6 . 178.9(2)
C5 C6 C8 C10 . 74.1(4)
C7 C6 C8 C10 . -110.3(3)
C5 C6 C8 C9 . -104.9(3)
C7 C6 C8 C9 . 70.8(3)
C6 C8 C10 C12 . -1.7(4)
C9 C8 C10 C12 . 177.1(3)
C6 C8 C10 C11 . 179.9(3)
C9 C8 C10 C11 . -1.3(5)
C8 C10 C12 C13 . 72.2(4)
C11 C10 C12 C13 . -109.3(3)
C8 C10 C12 C18 . -109.3(3)
C11 C10 C12 C18 . 69.2(4)
C18 C12 C13 C14 . 0.4(4)
C10 C12 C13 C14 . 178.9(3)
C12 C13 C14 C15 . 1.1(5)
C13 C14 C15 C16 . -1.1(5)
C14 C15 C16 C18 . -0.3(4)
C14 C15 C16 C17 . -179.5(3)
Co1 O4 C17 O3 2_556 -2.0(3)
Co1 O4 C17 C16 2_556 176.9(2)
Co1 O3 C17 O4 2_556 2.0(3)
Co1 O3 C17 C16 2_556 -177.0(2)
C15 C16 C17 O4 . -3.1(4)
C18 C16 C17 O4 . 177.8(3)
C15 C16 C17 O3 . 175.9(2)
C18 C16 C17 O3 . -3.3(4)
C15 C16 C18 C12 . 1.8(4)
C17 C16 C18 C12 . -179.0(2)
C13 C12 C18 C16 . -1.8(4)
C10 C12 C18 C16 . 179.6(3)
C23 N1 C19 C20 . 0.8(4)
Co1 N1 C19 C20 . 178.3(2)
N1 C19 C20 C21 . -1.0(5)
C19 C20 C21 C22 . 0.5(5)
C20 C21 C22 C23 . 0.2(5)
C19 N1 C23 C22 . -0.1(4)
Co1 N1 C23 C22 . -177.9(2)
C19 N1 C23 C24 . 179.6(2)
Co1 N1 C23 C24 . 1.8(3)
C21 C22 C23 N1 . -0.4(4)
C21 C22 C23 C24 . 180.0(3)
C28 N2 C24 C25 . 1.0(4)
Co1 N2 C24 C25 . 179.2(2)
C28 N2 C24 C23 . -179.6(2)
Co1 N2 C24 C23 . -1.4(3)
N1 C23 C24 N2 . -0.3(3)
C22 C23 C24 N2 . 179.4(3)
N1 C23 C24 C25 . 179.1(3)
C22 C23 C24 C25 . -1.2(4)
N2 C24 C25 C26 . -2.5(4)
C23 C24 C25 C26 . 178.2(3)
C24 C25 C26 C27 . 1.5(5)
C25 C26 C27 C28 . 0.8(5)
C24 N2 C28 C27 . 1.5(4)
Co1 N2 C28 C27 . -176.5(2)
C26 C27 C28 N2 . -2.4(5)
