#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/35/2013528.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_2013528
loop_
_publ_author_name
'Jian-Fang Ma'
'Jin Yang'
'Jing-Fu Liu'
_publ_section_title
;
 A novel cobalt(II) coordination polymer containing the fumarate anion
 and o-phenanthroline
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m304
_journal_page_last               m306
_journal_paper_doi               10.1107/S0108270103012101
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Co2 (C4 H2 O4)2 (C12 H8 N2)2]'
_chemical_formula_moiety         'C32 H20 Co2 N4 O8'
_chemical_formula_sum            'C32 H20 Co2 N4 O8'
_chemical_formula_weight         706.38
_chemical_name_systematic
;
di-μ-fumatato-bis(o-phenanthroline)dicobalt(II)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 96.89(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.264(3)
_cell_length_b                   10.111(2)
_cell_length_c                   22.650(5)
_cell_measurement_reflns_used    24016
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.67
_cell_volume                     2788.3(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         rotor-target
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0288
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            24016
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.254
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi (1995)
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.439
_exptl_crystal_size_mid          0.368
_exptl_crystal_size_min          0.236
_refine_diff_density_max         0.584
_refine_diff_density_min         -0.577
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0564P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0858
_reflns_number_gt                5500
_reflns_number_total             6376
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ta1410.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 

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        2788.2(11)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2013528
_cod_database_fobs_code          2013528
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_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
_atom_site_type_symbol
C1 0.78426(13) 0.43497(16) 0.67346(7) 0.0149(3) Uani d . 1 . . C
C2 0.76938(14) 0.53392(16) 0.72081(7) 0.0185(3) Uani d . 1 . . C
H2 0.8104 0.6115 0.7222 0.022 Uiso calc R 1 . . H
C3 0.70058(14) 0.51650(16) 0.76093(7) 0.0178(3) Uani d . 1 . . C
H3 0.6581 0.4401 0.7592 0.021 Uiso calc R 1 . . H
C4 0.68880(13) 0.61492(16) 0.80881(7) 0.0141(3) Uani d . 1 . . C
C5 0.88864(13) 0.63208(16) 0.97498(7) 0.0135(3) Uani d . 1 . . C
C6 0.97230(13) 0.52378(16) 0.97524(7) 0.0146(3) Uani d . 1 . . C
H6 0.9861 0.4882 0.9390 0.018 Uiso calc R 1 . . H
C7 0.60453(13) 0.64443(16) 1.00341(7) 0.0145(3) Uani d . 1 . . C
C8 0.51762(13) 0.54595(17) 0.98244(7) 0.0167(3) Uani d . 1 . . C
H8 0.4867 0.5491 0.9429 0.020 Uiso calc R 1 . . H
C101 0.66938(14) 0.01467(17) 0.55520(7) 0.0163(3) Uani d . 1 . . C
H101 0.6142 0.0685 0.5365 0.020 Uiso calc R 1 . . H
C102 0.65370(15) -0.12319(18) 0.55331(7) 0.0200(4) Uani d . 1 . . C
H102 0.5886 -0.1588 0.5347 0.024 Uiso calc R 1 . . H
C103 0.73530(15) -0.20485(17) 0.57919(8) 0.0201(4) Uani d . 1 . . C
H103 0.7269 -0.2962 0.5774 0.024 Uiso calc R 1 . . H
C104 0.83213(14) -0.14824(17) 0.60860(7) 0.0168(3) Uani d . 1 . . C
C105 0.83947(13) -0.00902(16) 0.60964(7) 0.0128(3) Uani d . 1 . . C
C106 0.92195(16) -0.22544(17) 0.63677(9) 0.0212(4) Uani d . 1 . . C
H106 0.9187 -0.3172 0.6344 0.025 Uiso calc R 1 . . H
C107 1.01089(15) -0.16713(18) 0.66659(8) 0.0217(4) Uani d . 1 . . C
H107 1.0675 -0.2193 0.6850 0.026 Uiso calc R 1 . . H
C108 1.01956(14) -0.02520(17) 0.67040(7) 0.0167(3) Uani d . 1 . . C
C109 0.93503(13) 0.05296(16) 0.64097(7) 0.0135(3) Uani d . 1 . . C
C110 1.10878(14) 0.04141(19) 0.70208(8) 0.0214(4) Uani d . 1 . . C
H110 1.1663 -0.0065 0.7223 0.026 Uiso calc R 1 . . H
C111 1.11090(14) 0.17744(19) 0.70315(7) 0.0206(4) Uani d . 1 . . C
H111 1.1688 0.2225 0.7246 0.025 Uiso calc R 1 . . H
C112 1.02364(14) 0.24713(17) 0.67100(8) 0.0174(3) Uani d . 1 . . C
H112 1.0260 0.3391 0.6711 0.021 Uiso calc R 1 . . H
C201 0.46772(14) 0.83281(17) 0.82226(7) 0.0162(3) Uani d . 1 . . C
H201 0.4575 0.7422 0.8172 0.019 Uiso calc R 1 . . H
C202 0.38576(14) 0.91871(19) 0.79549(7) 0.0201(4) Uani d . 1 . . C
H202 0.3235 0.8853 0.7729 0.024 Uiso calc R 1 . . H
C203 0.39937(14) 1.05284(18) 0.80336(7) 0.0196(4) Uani d . 1 . . C
H203 0.3458 1.1112 0.7866 0.024 Uiso calc R 1 . . H
C204 0.49575(14) 1.10142(17) 0.83724(7) 0.0163(3) Uani d . 1 . . C
C205 0.57327(13) 1.00775(15) 0.86112(7) 0.0127(3) Uani d . 1 . . C
C206 0.51798(16) 1.23929(17) 0.84749(8) 0.0221(4) Uani d . 1 . . C
H206 0.4664 1.3017 0.8323 0.026 Uiso calc R 1 . . H
C207 0.61298(16) 1.27995(17) 0.87891(8) 0.0226(4) Uani d . 1 . . C
H207 0.6253 1.3699 0.8851 0.027 Uiso calc R 1 . . H
C208 0.69516(14) 1.18649(17) 0.90284(7) 0.0169(3) Uani d . 1 . . C
C209 0.67479(13) 1.05033(16) 0.89431(7) 0.0127(3) Uani d . 1 . . C
C210 0.79664(16) 1.22348(18) 0.93420(8) 0.0217(4) Uani d . 1 . . C
H210 0.8138 1.3124 0.9405 0.026 Uiso calc R 1 . . H
C211 0.87007(14) 1.12743(18) 0.95542(7) 0.0208(4) Uani d . 1 . . C
H211 0.9376 1.1506 0.9760 0.025 Uiso calc R 1 . . H
C212 0.84218(14) 0.99361(18) 0.94577(7) 0.0172(3) Uani d . 1 . . C
H212 0.8920 0.9293 0.9610 0.021 Uiso calc R 1 . . H
N1 0.93849(11) 0.18762(13) 0.64073(6) 0.0134(3) Uani d . 1 . . N
N2 0.75940(11) 0.07160(13) 0.58248(6) 0.0131(3) Uani d . 1 . . N
N3 0.55857(11) 0.87480(13) 0.85426(6) 0.0131(3) Uani d . 1 . . N
N4 0.74773(11) 0.95512(13) 0.91587(6) 0.0128(3) Uani d . 1 . . N
O1 0.84044(10) 0.46731(12) 0.63247(5) 0.0192(3) Uani d . 1 . . O
O2 0.74096(10) 0.32169(11) 0.67522(5) 0.0157(2) Uani d . 1 . . O
O3 0.73935(10) 0.72436(11) 0.80923(5) 0.0155(2) Uani d . 1 . . O
O4 0.63002(10) 0.58483(12) 0.84911(5) 0.0182(3) Uani d . 1 . . O
O5 0.82484(10) 0.64344(13) 0.92737(5) 0.0225(3) Uani d . 1 . . O
O6 0.88844(10) 0.70520(12) 1.02024(5) 0.0152(2) Uani d . 1 . . O
O7 0.61330(10) 0.74478(11) 0.97060(5) 0.0157(2) Uani d . 1 . . O
O8 0.66130(10) 0.62482(13) 1.05234(5) 0.0221(3) Uani d . 1 . . O
Co1 0.798748(17) 0.27685(2) 0.590143(9) 0.01125(7) Uani d . 1 . . Co
Co2 0.691125(18) 0.76042(2) 0.897057(9) 0.01112(7) Uani d . 1 . . Co
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
O1 C1 O2 . . 121.70(15) ?
O1 C1 C2 . . 118.59(15) ?
O2 C1 C2 . . 119.71(15) ?
C3 C2 C1 . . 123.13(16) ?
C3 C2 H2 . . 118.4 ?
C1 C2 H2 . . 118.4 ?
C2 C3 C4 . . 122.38(16) ?
C2 C3 H3 . . 118.8 ?
C4 C3 H3 . . 118.8 ?
O4 C4 O3 . . 121.63(14) ?
O4 C4 C3 . . 118.49(15) ?
O3 C4 C3 . . 119.86(15) ?
O5 C5 O6 . . 125.42(15) ?
O5 C5 C6 . . 115.11(14) ?
O6 C5 C6 . . 119.44(14) ?
C6 C6 C5 3_767 . 123.19(19) ?
C6 C6 H6 3_767 . 118.4 ?
C5 C6 H6 . . 118.4 ?
O8 C7 O7 . . 124.58(15) ?
O8 C7 C8 . . 118.40(15) ?
O7 C7 C8 . . 116.99(14) ?
C8 C8 C7 3_667 . 123.15(19) ?
C8 C8 H8 3_667 . 118.4 ?
C7 C8 H8 . . 118.4 ?
N2 C101 C102 . . 123.08(16) ?
N2 C101 H101 . . 118.5 ?
C102 C101 H101 . . 118.5 ?
C103 C102 C101 . . 119.51(16) ?
C103 C102 H102 . . 120.2 ?
C101 C102 H102 . . 120.2 ?
C102 C103 C104 . . 119.11(16) ?
C102 C103 H103 . . 120.4 ?
C104 C103 H103 . . 120.4 ?
C105 C104 C103 . . 117.46(16) ?
C105 C104 C106 . . 119.41(16) ?
C103 C104 C106 . . 123.13(16) ?
N2 C105 C104 . . 123.19(16) ?
N2 C105 C109 . . 117.50(15) ?
C104 C105 C109 . . 119.31(15) ?
C107 C106 C104 . . 121.10(16) ?
C107 C106 H106 . . 119.4 ?
C104 C106 H106 . . 119.4 ?
C106 C107 C108 . . 121.01(16) ?
C106 C107 H107 . . 119.5 ?
C108 C107 H107 . . 119.5 ?
C110 C108 C109 . . 117.20(16) ?
C110 C108 C107 . . 123.70(16) ?
C109 C108 C107 . . 119.10(16) ?
N1 C109 C108 . . 122.81(16) ?
N1 C109 C105 . . 117.22(15) ?
C108 C109 C105 . . 119.97(15) ?
C111 C110 C108 . . 119.97(16) ?
C111 C110 H110 . . 120.0 ?
C108 C110 H110 . . 120.0 ?
C110 C111 C112 . . 118.64(16) ?
C110 C111 H111 . . 120.7 ?
C112 C111 H111 . . 120.7 ?
N1 C112 C111 . . 122.94(16) ?
N1 C112 H112 . . 118.5 ?
C111 C112 H112 . . 118.5 ?
N3 C201 C202 . . 123.22(16) ?
N3 C201 H201 . . 118.4 ?
C202 C201 H201 . . 118.4 ?
C203 C202 C201 . . 118.86(16) ?
C203 C202 H202 . . 120.6 ?
C201 C202 H202 . . 120.6 ?
C202 C203 C204 . . 119.48(16) ?
C202 C203 H203 . . 120.3 ?
C204 C203 H203 . . 120.3 ?
C205 C204 C203 . . 117.20(16) ?
C205 C204 C206 . . 119.12(16) ?
C203 C204 C206 . . 123.67(16) ?
N3 C205 C204 . . 123.19(15) ?
N3 C205 C209 . . 116.65(14) ?
C204 C205 C209 . . 120.16(15) ?
C207 C206 C204 . . 121.00(16) ?
C207 C206 H206 . . 119.5 ?
C204 C206 H206 . . 119.5 ?
C206 C207 C208 . . 121.20(16) ?
C206 C207 H207 . . 119.4 ?
C208 C207 H207 . . 119.4 ?
C210 C208 C209 . . 117.42(16) ?
C210 C208 C207 . . 123.53(17) ?
C209 C208 C207 . . 119.04(16) ?
N4 C209 C208 . . 122.88(15) ?
N4 C209 C205 . . 117.67(15) ?
C208 C209 C205 . . 119.45(15) ?
C211 C210 C208 . . 119.50(16) ?
C211 C210 H210 . . 120.3 ?
C208 C210 H210 . . 120.3 ?
C210 C211 C212 . . 119.31(16) ?
C210 C211 H211 . . 120.3 ?
C212 C211 H211 . . 120.3 ?
N4 C212 C211 . . 122.84(16) ?
N4 C212 H212 . . 118.6 ?
C211 C212 H212 . . 118.6 ?
C112 N1 C109 . . 118.39(15) ?
C112 N1 Co1 . . 128.06(12) ?
C109 N1 Co1 . . 113.55(11) ?
C101 N2 C105 . . 117.61(15) ?
C101 N2 Co1 . . 128.76(11) ?
C105 N2 Co1 . . 113.64(11) ?
C201 N3 C205 . . 118.03(14) ?
C201 N3 Co2 . . 128.38(12) ?
C205 N3 Co2 . . 113.58(11) ?
C212 N4 C209 . . 118.05(15) ?
C212 N4 Co2 . . 128.39(12) ?
C209 N4 Co2 . . 113.56(11) ?
C1 O1 Co1 . . 88.55(9) ?
C1 O2 Co1 . . 88.75(10) ?
C4 O3 Co2 . . 88.10(9) ?
C4 O4 Co2 . . 88.39(10) ?
C5 O5 Co2 . . 136.21(11) ?
C5 O6 Co1 . 4_566 137.27(11) ?
C7 O7 Co2 . . 128.74(11) ?
C7 O8 Co1 . 4_566 129.35(11) ?
O6 Co1 O8 4_565 4_565 97.19(5) yes
O6 Co1 N2 4_565 . 99.27(5) yes
O8 Co1 N2 4_565 . 105.71(5) yes
O6 Co1 N1 4_565 . 88.94(5) yes
O8 Co1 N1 4_565 . 172.12(5) yes
N2 Co1 N1 . . 78.03(5) yes
O6 Co1 O2 4_565 . 158.43(5) yes
O8 Co1 O2 4_565 . 86.00(5) yes
N2 Co1 O2 . . 100.37(5) yes
N1 Co1 O2 . . 86.49(5) yes
O6 Co1 O1 4_565 . 98.19(5) yes
O8 Co1 O1 4_565 . 83.88(5) yes
N2 Co1 O1 . . 158.78(5) yes
N1 Co1 O1 . . 90.36(5) yes
O2 Co1 O1 . . 60.81(4) yes
O7 Co2 O5 . . 96.62(5) yes
O7 Co2 N4 . . 94.75(5) yes
O5 Co2 N4 . . 103.72(5) yes
O7 Co2 N3 . . 90.43(5) yes
O5 Co2 N3 . . 172.37(5) yes
N4 Co2 N3 . . 78.49(5) yes
O7 Co2 O4 . . 100.35(5) yes
O5 Co2 O4 . . 84.88(5) yes
N4 Co2 O4 . . 161.68(5) yes
N3 Co2 O4 . . 91.00(5) yes
O7 Co2 O3 . . 161.40(5) yes
O5 Co2 O3 . . 85.19(5) yes
N4 Co2 O3 . . 102.82(5) yes
N3 Co2 O3 . . 87.20(5) yes
O4 Co2 O3 . . 61.29(4) yes
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 O1 . 1.264(2) ?
C1 O2 . 1.265(2) ?
C1 C2 . 1.494(2) ?
C2 C3 . 1.324(3) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.491(2) ?
C3 H3 . 0.9300 ?
C4 O4 . 1.266(2) ?
C4 O3 . 1.268(2) ?
C5 O5 . 1.2593(19) ?
C5 O6 . 1.2641(19) ?
C5 C6 . 1.500(2) ?
C6 C6 3_767 1.330(3) ?
C6 H6 . 0.9300 ?
C7 O8 . 1.2519(19) ?
C7 O7 . 1.270(2) ?
C7 C8 . 1.494(2) ?
C8 C8 3_667 1.329(3) ?
C8 H8 . 0.9300 ?
C101 N2 . 1.330(2) ?
C101 C102 . 1.407(2) ?
C101 H101 . 0.9300 ?
C102 C103 . 1.373(3) ?
C102 H102 . 0.9300 ?
C103 C104 . 1.411(2) ?
C103 H103 . 0.9300 ?
C104 C105 . 1.410(2) ?
C104 C106 . 1.436(2) ?
C105 N2 . 1.365(2) ?
C105 C109 . 1.439(2) ?
C106 C107 . 1.348(3) ?
C106 H106 . 0.9300 ?
C107 C108 . 1.441(2) ?
C107 H107 . 0.9300 ?
C108 C110 . 1.406(3) ?
C108 C109 . 1.406(2) ?
C109 N1 . 1.362(2) ?
C110 C111 . 1.376(3) ?
C110 H110 . 0.9300 ?
C111 C112 . 1.409(2) ?
C111 H111 . 0.9300 ?
C112 N1 . 1.323(2) ?
C112 H112 . 0.9300 ?
C201 N3 . 1.324(2) ?
C201 C202 . 1.409(2) ?
C201 H201 . 0.9300 ?
C202 C203 . 1.375(3) ?
C202 H202 . 0.9300 ?
C203 C204 . 1.418(2) ?
C203 H203 . 0.9300 ?
C204 C205 . 1.404(2) ?
C204 C206 . 1.434(2) ?
C205 N3 . 1.363(2) ?
C205 C209 . 1.441(2) ?
C206 C207 . 1.354(3) ?
C206 H206 . 0.9300 ?
C207 C208 . 1.439(2) ?
C207 H207 . 0.9300 ?
C208 C210 . 1.408(2) ?
C208 C209 . 1.408(2) ?
C209 N4 . 1.364(2) ?
C210 C211 . 1.372(3) ?
C210 H210 . 0.9300 ?
C211 C212 . 1.406(3) ?
C211 H211 . 0.9300 ?
C212 N4 . 1.328(2) ?
C212 H212 . 0.9300 ?
N1 Co1 . 2.1432(15) yes
N2 Co1 . 2.1329(14) yes
N3 Co2 . 2.1312(14) yes
N4 Co2 . 2.1136(14) yes
O1 Co1 . 2.1843(12) yes
O2 Co1 . 2.1792(12) yes
O3 Co2 . 2.1731(13) yes
O4 Co2 . 2.1674(12) yes
O5 Co2 . 2.0712(12) yes
O6 Co1 4_566 2.0415(13) yes
O7 Co2 . 2.0228(13) yes
O8 Co1 4_566 2.0535(12) yes
Co1 O6 4_565 2.0415(13) ?
Co1 O8 4_565 2.0535(12) ?
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_4
_geom_torsion
O1 C1 C2 C3 . 170.72(16)
O2 C1 C2 C3 . -9.4(3)
C1 C2 C3 C4 . 178.48(14)
C2 C3 C4 O4 . -172.67(16)
C2 C3 C4 O3 . 5.6(2)
O5 C5 C6 C6 3_767 -163.1(2)
O6 C5 C6 C6 3_767 18.5(3)
O8 C7 C8 C8 3_667 14.0(3)
O7 C7 C8 C8 3_667 -164.1(2)
N2 C101 C102 C103 . -1.8(3)
C101 C102 C103 C104 . 1.7(3)
C102 C103 C104 C105 . 0.0(2)
C102 C103 C104 C106 . -179.79(17)
C103 C104 C105 N2 . -1.8(2)
C106 C104 C105 N2 . 177.98(15)
C103 C104 C105 C109 . 177.77(14)
C106 C104 C105 C109 . -2.5(2)
C105 C104 C106 C107 . 3.2(3)
C103 C104 C106 C107 . -177.08(17)
C104 C106 C107 C108 . -1.0(3)
C106 C107 C108 C110 . 178.29(17)
C106 C107 C108 C109 . -1.9(3)
C110 C108 C109 N1 . 2.0(2)
C107 C108 C109 N1 . -177.83(16)
C110 C108 C109 C105 . -177.64(15)
C107 C108 C109 C105 . 2.5(2)
N2 C105 C109 N1 . -0.4(2)
C104 C105 C109 N1 . 179.97(15)
N2 C105 C109 C108 . 179.24(14)
C104 C105 C109 C108 . -0.3(2)
C109 C108 C110 C111 . -0.2(3)
C107 C108 C110 C111 . 179.61(17)
C108 C110 C111 C112 . -1.4(3)
C110 C111 C112 N1 . 1.4(3)
N3 C201 C202 C203 . -0.9(3)
C201 C202 C203 C204 . 1.0(3)
C202 C203 C204 C205 . 0.1(2)
C202 C203 C204 C206 . 179.38(17)
C203 C204 C205 N3 . -1.5(2)
C206 C204 C205 N3 . 179.21(16)
C203 C204 C205 C209 . 177.89(14)
C206 C204 C205 C209 . -1.4(2)
C205 C204 C206 C207 . 1.0(3)
C203 C204 C206 C207 . -178.19(17)
C204 C206 C207 C208 . 0.3(3)
C206 C207 C208 C210 . 177.95(17)
C206 C207 C208 C209 . -1.4(3)
C210 C208 C209 N4 . 1.2(2)
C207 C208 C209 N4 . -179.46(15)
C210 C208 C209 C205 . -178.37(14)
C207 C208 C209 C205 . 1.0(2)
N3 C205 C209 N4 . 0.2(2)
C204 C205 C209 N4 . -179.19(14)
N3 C205 C209 C208 . 179.81(14)
C204 C205 C209 C208 . 0.4(2)
C209 C208 C210 C211 . -0.7(3)
C207 C208 C210 C211 . -179.99(17)
C208 C210 C211 C212 . -0.4(3)
C210 C211 C212 N4 . 1.2(3)
C111 C112 N1 C109 . 0.3(3)
C111 C112 N1 Co1 . 179.53(12)
C108 C109 N1 C112 . -2.1(2)
C105 C109 N1 C112 . 177.61(15)
C108 C109 N1 Co1 . 178.61(12)
C105 C109 N1 Co1 . -1.72(18)
C102 C101 N2 C105 . 0.0(2)
C102 C101 N2 Co1 . 179.84(12)
C104 C105 N2 C101 . 1.8(2)
C109 C105 N2 C101 . -177.79(14)
C104 C105 N2 Co1 . -178.05(13)
C109 C105 N2 Co1 . 2.38(17)
C202 C201 N3 C205 . -0.4(2)
C202 C201 N3 Co2 . -179.37(12)
C204 C205 N3 C201 . 1.7(2)
C209 C205 N3 C201 . -177.76(14)
C204 C205 N3 Co2 . -179.25(12)
C209 C205 N3 Co2 . 1.33(17)
C211 C212 N4 C209 . -0.7(2)
C211 C212 N4 Co2 . -179.81(12)
C208 C209 N4 C212 . -0.5(2)
C205 C209 N4 C212 . 179.04(14)
C208 C209 N4 Co2 . 178.75(12)
C205 C209 N4 Co2 . -1.70(17)
O2 C1 O1 Co1 . 4.43(15)
C2 C1 O1 Co1 . -175.67(13)
O1 C1 O2 Co1 . -4.44(15)
C2 C1 O2 Co1 . 175.66(13)
O4 C4 O3 Co2 . 7.76(15)
C3 C4 O3 Co2 . -170.44(13)
O3 C4 O4 Co2 . -7.78(15)
C3 C4 O4 Co2 . 170.44(13)
O6 C5 O5 Co2 . -4.6(3)
C6 C5 O5 Co2 . 177.10(12)
O5 C5 O6 Co1 4_566 78.8(2)
C6 C5 O6 Co1 4_566 -102.97(18)
O8 C7 O7 Co2 . 100.68(18)
C8 C7 O7 Co2 . -81.35(18)
O7 C7 O8 Co1 4_566 -10.8(3)
C8 C7 O8 Co1 4_566 171.29(11)
C101 N2 Co1 O6 4_565 -95.35(14)
C105 N2 Co1 O6 4_565 84.46(11)
C101 N2 Co1 O8 4_565 4.89(15)
C105 N2 Co1 O8 4_565 -175.31(10)
C101 N2 Co1 N1 . 177.74(15)
C105 N2 Co1 N1 . -2.45(10)
C101 N2 Co1 O2 . 93.62(14)
C105 N2 Co1 O2 . -86.57(11)
C101 N2 Co1 O1 . 119.64(16)
C105 N2 Co1 O1 . -60.56(19)
C101 N2 Co1 C1 . 98.92(15)
C105 N2 Co1 C1 . -81.27(12)
C112 N1 Co1 O6 4_565 83.28(15)
C109 N1 Co1 O6 4_565 -97.48(11)
C112 N1 Co1 N2 . -177.02(15)
C109 N1 Co1 N2 . 2.23(11)
C112 N1 Co1 O2 . -75.63(14)
C109 N1 Co1 O2 . 103.61(11)
C112 N1 Co1 O1 . -14.91(15)
C109 N1 Co1 O1 . 164.33(11)
C112 N1 Co1 C1 . -45.31(15)
C109 N1 Co1 C1 . 133.94(12)
C1 O2 Co1 O6 4_565 16.76(17)
C1 O2 Co1 O8 4_565 -82.72(10)
C1 O2 Co1 N2 . 172.02(9)
C1 O2 Co1 N1 . 94.88(10)
C1 O2 Co1 O1 . 2.50(9)
C1 O1 Co1 O6 4_565 -177.25(9)
C1 O1 Co1 O8 4_565 86.33(10)
C1 O1 Co1 N2 . -32.12(19)
C1 O1 Co1 N1 . -88.28(10)
C1 O1 Co1 O2 . -2.50(9)
O1 C1 Co1 O6 4_565 3.48(12)
O2 C1 Co1 O6 4_565 -172.21(8)
O1 C1 Co1 O8 4_565 -90.06(10)
O2 C1 Co1 O8 4_565 94.26(9)
O1 C1 Co1 N2 . 165.35(9)
O2 C1 Co1 N2 . -10.33(12)
O1 C1 Co1 N1 . 91.67(10)
O2 C1 Co1 N1 . -84.02(9)
O1 C1 Co1 O2 . 175.69(15)
O2 C1 Co1 O1 . -175.69(15)
C7 O7 Co2 O5 . -38.86(14)
C7 O7 Co2 N4 . -143.29(14)
C7 O7 Co2 N3 . 138.22(14)
C7 O7 Co2 O4 . 47.12(14)
C7 O7 Co2 O3 . 55.7(2)
C7 O7 Co2 C4 . 46.26(16)
C5 O5 Co2 O7 . -44.59(18)
C5 O5 Co2 N4 . 51.96(18)
C5 O5 Co2 O4 . -144.45(18)
C5 O5 Co2 O3 . 154.01(18)
C5 O5 Co2 C4 . -175.22(18)
C212 N4 Co2 O7 . 91.49(14)
C209 N4 Co2 O7 . -87.68(11)
C212 N4 Co2 O5 . -6.52(15)
C209 N4 Co2 O5 . 174.31(10)
C212 N4 Co2 N3 . -179.04(15)
C209 N4 Co2 N3 . 1.80(10)
C212 N4 Co2 O4 . -122.96(17)
C209 N4 Co2 O4 . 57.9(2)
C212 N4 Co2 O3 . -94.63(14)
C209 N4 Co2 O3 . 86.20(11)
C212 N4 Co2 C4 . -98.43(15)
C209 N4 Co2 C4 . 82.40(12)
C201 N3 Co2 O7 . -87.94(14)
C205 N3 Co2 O7 . 93.08(11)
C201 N3 Co2 N4 . 177.30(15)
C205 N3 Co2 N4 . -1.68(11)
C201 N3 Co2 O4 . 12.42(14)
C205 N3 Co2 O4 . -166.56(11)
C201 N3 Co2 O3 . 73.61(14)
C205 N3 Co2 O3 . -105.37(11)
C201 N3 Co2 C4 . 43.12(14)
C205 N3 Co2 C4 . -135.86(11)
C4 O4 Co2 O7 . -178.73(9)
C4 O4 Co2 O5 . -82.91(10)
C4 O4 Co2 N4 . 36.2(2)
C4 O4 Co2 N3 . 90.65(9)
C4 O4 Co2 O3 . 4.40(8)
C4 O3 Co2 O7 . -14.07(19)
C4 O3 Co2 O5 . 82.40(9)
C4 O3 Co2 N4 . -174.60(9)
C4 O3 Co2 N3 . -97.07(9)
C4 O3 Co2 O4 . -4.39(8)
O4 C4 Co2 O7 . 1.66(12)
O4 C4 Co2 O5 . 93.48(10)
O3 C4 Co2 O5 . -94.07(9)
O4 C4 Co2 N4 . -165.19(9)
O3 C4 Co2 N4 . 7.26(12)
O4 C4 Co2 N3 . -89.95(9)
O3 C4 Co2 N3 . 82.49(9)
O4 C4 Co2 O3 . -172.44(14)
