#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:47:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179596 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/60/4506078.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_4506078
loop_
_publ_author_name
'Li, Huan-Huan'
'Shi, Wei'
'Xu, Na'
'Zhang, Zhen-Jie'
'Niu, Zheng'
'Han, Tian'
'Cheng, Peng'
_publ_section_title
;
 Structural Diversity of Four Metal--Organic Frameworks Based on Linear
 Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal
 Structures and Luminescent and Magnetic Properties
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2602
_journal_paper_doi               10.1021/cg300196w
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety
'C24 H8 Co3 O20, 2(C1.50 H3.50 N0.50 O0.50), 2(C1.50 H3.50 N0.50)'
_chemical_formula_sum            'C34 H38 Co3 N4 O22'
_chemical_formula_weight         1031.47
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-04-28
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 97.323(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2915(4)
_cell_length_b                   15.0734(7)
_cell_length_c                   17.8179(7)
_cell_measurement_reflns_used    4008
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      29.1128
_cell_measurement_theta_min      2.5853
_cell_volume                     2475.12(19)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean 16.2116
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
;
  1 omega  -11.00   88.00   1.0000   38.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497   77.0000 -120.0000 99

  2 omega  -45.00   48.00   1.0000   38.0000
omega____ theta____ kappa____ phi______ frames
    -       18.3497  -77.0000  120.0000 93

  3 omega   11.00   50.00   1.0000   38.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.9747   77.0000  150.0000 39
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0115014000
_diffrn_orient_matrix_UB_12      0.0041769000
_diffrn_orient_matrix_UB_13      0.0399616000
_diffrn_orient_matrix_UB_21      0.0761441000
_diffrn_orient_matrix_UB_22      0.0009328000
_diffrn_orient_matrix_UB_23      -0.0008842000
_diffrn_orient_matrix_UB_31      -0.0024778000
_diffrn_orient_matrix_UB_32      0.0468426000
_diffrn_orient_matrix_UB_33      -0.0034627000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0730
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9216
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.59
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1054
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.802
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         4306
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0863
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1309P)²+10.5816P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2219
_refine_ls_wR_factor_ref         0.2407
_reflns_number_gt                3286
_reflns_number_total             4306
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300196w_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        2475.12(18)
_cod_database_code               4506078
#BEGIN Tags that were not found in dictionaries:
_chemical_oxdiff_formula         C12CO1
_chemical_oxdiff_usercomment     2010121603
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -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 0.5000 0.0000 0.5000 0.0273(4) Uani 1 2 d S
Co2 Co 0.57713(9) -0.11256(6) 0.66364(5) 0.0197(3) Uani 1 1 d .
O1 O 1.0529(5) -0.0395(3) 0.6237(2) 0.0228(10) Uani 1 1 d .
O2 O 1.3173(5) -0.1194(4) 0.6721(3) 0.0324(12) Uani 1 1 d .
O3 O 1.4348(5) -0.0190(3) 0.6137(2) 0.0257(11) Uani 1 1 d .
O4 O 0.7719(5) -0.0717(3) 0.6403(3) 0.0266(11) Uani 1 1 d .
O5 O 0.7021(5) 0.0337(4) 0.5544(3) 0.0372(13) Uani 1 1 d U
O6 O 0.4098(5) 0.2913(3) 0.5885(2) 0.0230(10) Uani 1 1 d .
O7 O 0.4458(5) 0.1397(3) 0.5087(3) 0.0269(11) Uani 1 1 d .
O8 O 0.4422(6) 0.2191(3) 0.4023(2) 0.0316(12) Uani 1 1 d .
O9 O 0.3952(5) 0.3241(4) 0.7354(3) 0.0348(13) Uani 1 1 d .
O10 O 0.3782(7) 0.4669(4) 0.7180(3) 0.0456(15) Uani 1 1 d .
O11 O 0.930(2) 0.5676(11) 0.6890(10) 0.094(4) Uani 0.50 1 d PDU
O12 O 0.7307(17) 0.3609(10) 0.4031(9) 0.072(4) Uani 0.50 1 d PU
N1 N 0.5464(13) 0.3379(9) 0.2662(7) 0.104(4) Uani 1 1 d U
H1A H 0.5386 0.2800 0.2774 0.125 Uiso 1 1 calc R
H1B H 0.5960 0.3638 0.3071 0.125 Uiso 1 1 calc R
N2 N 0.9215(17) 0.4132(11) 0.6831(9) 0.071(3) Uani 0.50 1 d PDU
N3 N 0.9465(19) 0.3103(11) 0.4437(10) 0.064(3) Uani 0.50 1 d PU
C1 C 0.9470(7) 0.0184(5) 0.5960(4) 0.0259(15) Uani 1 1 d .
C2 C 1.0045(7) 0.0917(5) 0.5679(4) 0.0306(17) Uani 1 1 d .
H2 H 0.9540 0.1403 0.5457 0.037 Uiso 1 1 calc R
C3 C 1.1586(7) 0.0799(5) 0.5789(4) 0.0287(16) Uani 1 1 d .
H3 H 1.2282 0.1198 0.5665 0.034 Uiso 1 1 calc R
C4 C 1.1828(7) -0.0006(5) 0.6108(4) 0.0232(15) Uani 1 1 d .
C5 C 1.3149(7) -0.0521(5) 0.6344(3) 0.0232(15) Uani 1 1 d .
C6 C 0.7943(7) -0.0096(5) 0.5985(4) 0.0267(16) Uani 1 1 d .
C7 C 0.4131(8) 0.2945(5) 0.5125(4) 0.0288(16) Uani 1 1 d .
C8 C 0.3864(8) 0.3772(5) 0.6104(4) 0.0315(17) Uani 1 1 d .
C9 C 0.3777(10) 0.4323(6) 0.5514(4) 0.043(2) Uani 1 1 d .
H9 H 0.3642 0.4934 0.5519 0.051 Uiso 1 1 calc R
C10 C 0.3931(11) 0.3784(6) 0.4877(5) 0.047(2) Uani 1 1 d .
H10 H 0.3900 0.3975 0.4379 0.056 Uiso 1 1 calc R
C11 C 0.4369(7) 0.2099(5) 0.4725(4) 0.0272(16) Uani 1 1 d .
C12 C 0.3848(8) 0.3910(6) 0.6925(4) 0.0302(17) Uani 1 1 d .
C13 C 0.4031(13) 0.3740(8) 0.2580(7) 0.077(3) Uani 1 1 d U
H13A H 0.3702 0.3836 0.2053 0.116 Uiso 1 1 calc R
H13B H 0.4038 0.4294 0.2846 0.116 Uiso 1 1 calc R
H13C H 0.3389 0.3333 0.2785 0.116 Uiso 1 1 calc R
C14 C 0.6356(14) 0.3434(8) 0.2065(7) 0.076(3) Uani 1 1 d U
H14A H 0.5754 0.3525 0.1592 0.114 Uiso 1 1 calc R
H14B H 0.6892 0.2893 0.2043 0.114 Uiso 1 1 calc R
H14C H 0.7018 0.3922 0.2159 0.114 Uiso 1 1 calc R
C15 C 0.827(2) 0.3085(15) 0.4065(13) 0.066(3) Uani 0.50 1 d PU
H15 H 0.8087 0.2586 0.3761 0.080 Uiso 0.50 1 calc PR
C16 C 1.041(3) 0.2521(13) 0.4116(13) 0.067(4) Uani 0.50 1 d PU
H16A H 1.0622 0.2759 0.3644 0.101 Uiso 0.50 1 calc PR
H16B H 0.9950 0.1952 0.4032 0.101 Uiso 0.50 1 calc PR
H16C H 1.1290 0.2456 0.4455 0.101 Uiso 0.50 1 calc PR
C17 C 1.000(2) 0.3860(15) 0.4895(12) 0.065(4) Uani 0.50 1 d PU
H17A H 1.0873 0.3697 0.5214 0.097 Uiso 0.50 1 calc PR
H17B H 0.9281 0.4045 0.5204 0.097 Uiso 0.50 1 calc PR
H17C H 1.0207 0.4340 0.4571 0.097 Uiso 0.50 1 calc PR
C18 C 0.988(2) 0.3316(14) 0.7121(12) 0.068(4) Uani 0.50 1 d PDU
H18A H 0.9223 0.3001 0.7398 0.102 Uiso 0.50 1 calc PR
H18B H 1.0755 0.3449 0.7451 0.102 Uiso 0.50 1 calc PR
H18C H 1.0112 0.2957 0.6708 0.102 Uiso 0.50 1 calc PR
C19 C 0.774(2) 0.3992(18) 0.6446(12) 0.074(5) Uani 0.50 1 d PDU
H19A H 0.7784 0.3812 0.5932 0.111 Uiso 0.50 1 calc PR
H19B H 0.7198 0.4535 0.6448 0.111 Uiso 0.50 1 calc PR
H19C H 0.7268 0.3539 0.6704 0.111 Uiso 0.50 1 calc PR
C20 C 0.989(2) 0.4968(13) 0.7019(13) 0.077(4) Uani 0.50 1 d PDU
H20 H 1.0844 0.4968 0.7255 0.092 Uiso 0.50 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Co Co 0.3494 0.9721 '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'
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
O3 Co1 O3 180.0 1_455 3_756
O5 Co1 O3 93.42(18) 3_656 1_455
O5 Co1 O3 86.58(18) . 1_455
O5 Co1 O3 86.58(18) 3_656 3_756
O5 Co1 O3 93.42(18) . 3_756
O5 Co1 O5 180.0(3) 3_656 .
O5 Co1 O7 93.8(2) 3_656 .
O5 Co1 O7 93.8(2) . 3_656
O5 Co1 O7 86.2(2) 3_656 3_656
O5 Co1 O7 86.2(2) . .
O7 Co1 O3 88.09(17) 3_656 3_756
O7 Co1 O3 91.91(17) . 3_756
O7 Co1 O3 91.91(17) 3_656 1_455
O7 Co1 O3 88.09(17) . 1_455
O7 Co1 O7 180.0(2) 3_656 .
O4 Co2 O3 104.29(19) . 1_455
O4 Co2 O9 108.30(19) . 2_646
O8 Co2 O3 107.1(2) 3_656 1_455
O8 Co2 O4 98.2(2) 3_656 .
O8 Co2 O9 97.8(2) 3_656 2_646
O9 Co2 O3 135.2(2) 2_646 1_455
C1 O1 C4 105.9(5) . .
Co2 O3 Co1 104.47(18) 1_655 1_655
C5 O3 Co1 130.4(4) . 1_655
C5 O3 Co2 98.0(4) . 1_655
C6 O4 Co2 125.9(4) . .
C6 O5 Co1 131.9(5) . .
C7 O6 C8 105.9(5) . .
C11 O7 Co1 142.3(4) . .
C11 O8 Co2 119.0(5) . 3_656
C12 O9 Co2 98.7(4) . 2_656
H1A N1 H1B 106.7 . .
C13 N1 H1A 107.0 . .
C13 N1 H1B 107.0 . .
C13 N1 C14 121.5(12) . .
C14 N1 H1A 107.0 . .
C14 N1 H1B 107.0 . .
C18 N2 C19 112.2(17) . .
C20 N2 C18 120.7(17) . .
C20 N2 C19 126.4(18) . .
C15 N3 C16 109.5(19) . .
C15 N3 C17 123.2(19) . .
C16 N3 C17 121.9(18) . .
O1 C1 C6 117.1(6) . .
C2 C1 O1 111.0(6) . .
C2 C1 C6 131.8(6) . .
C1 C2 H2 126.8 . .
C1 C2 C3 106.4(6) . .
C3 C2 H2 126.8 . .
C2 C3 H3 126.8 . .
C4 C3 C2 106.3(6) . .
C4 C3 H3 126.8 . .
O1 C4 C5 116.3(6) . .
C3 C4 O1 110.4(6) . .
C3 C4 C5 133.3(6) . .
O2 C5 O3 121.1(6) . .
O2 C5 C4 123.7(6) . .
O3 C5 C4 115.2(6) . .
O4 C6 O5 127.9(6) . .
O4 C6 C1 118.0(6) . .
O5 C6 C1 114.1(6) . .
O6 C7 C11 117.9(6) . .
C10 C7 O6 109.9(6) . .
C10 C7 C11 132.1(7) . .
O6 C8 C12 115.7(7) . .
C9 C8 O6 110.9(6) . .
C9 C8 C12 133.2(7) . .
C8 C9 H9 127.1 . .
C8 C9 C10 105.8(7) . .
C10 C9 H9 127.1 . .
C7 C10 C9 107.5(7) . .
C7 C10 H10 126.2 . .
C9 C10 H10 126.2 . .
O7 C11 O8 127.0(7) . .
O7 C11 C7 119.1(6) . .
O8 C11 C7 113.9(6) . .
O9 C12 C8 118.5(7) . .
O10 C12 O9 121.5(6) . .
O10 C12 C8 120.0(7) . .
N1 C13 H13A 109.5 . .
N1 C13 H13B 109.5 . .
N1 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N1 C14 H14A 109.5 . .
N1 C14 H14B 109.5 . .
N1 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O12 C15 N3 130(2) . .
O12 C15 H15 115.1 . .
N3 C15 H15 115.1 . .
N3 C16 H16A 109.5 . .
N3 C16 H16B 109.5 . .
N3 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N3 C17 H17A 109.5 . .
N3 C17 H17B 109.5 . .
N3 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 H18A 109.5 . .
N2 C18 H18B 109.5 . .
N2 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N2 C19 H19A 109.5 . .
N2 C19 H19B 109.5 . .
N2 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O11 C20 N2 124(2) . .
O11 C20 H20 118.1 . .
N2 C20 H20 118.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 2.206(4) 3_756
Co1 O3 2.206(4) 1_455
Co1 O5 2.064(5) 3_656
Co1 O5 2.064(5) .
Co1 O7 2.175(5) 3_656
Co1 O7 2.175(5) .
Co2 O3 2.057(5) 1_455
Co2 O4 2.005(5) .
Co2 O8 1.984(5) 3_656
Co2 O9 2.025(5) 2_646
O1 C1 1.360(8) .
O1 C4 1.386(8) .
O2 C5 1.215(9) .
O3 Co1 2.206(4) 1_655
O3 Co2 2.057(5) 1_655
O3 C5 1.316(8) .
O4 C6 1.230(8) .
O5 C6 1.266(9) .
O6 C7 1.359(8) .
O6 C8 1.378(9) .
O7 C11 1.237(9) .
O8 Co2 1.984(5) 3_656
O8 C11 1.267(8) .
O9 Co2 2.025(5) 2_656
O9 C12 1.261(9) .
O10 C12 1.236(9) .
O11 C20 1.209(16) .
O12 C15 1.19(2) .
N1 H1A 0.9000 .
N1 H1B 0.9000 .
N1 C13 1.429(16) .
N1 C14 1.432(16) .
N2 C18 1.443(17) .
N2 C19 1.469(17) .
N2 C20 1.430(17) .
N3 C15 1.22(3) .
N3 C16 1.41(3) .
N3 C17 1.45(3) .
C1 C2 1.352(10) .
C1 C6 1.487(9) .
C2 H2 0.9300 .
C2 C3 1.431(10) .
C3 H3 0.9300 .
C3 C4 1.346(10) .
C4 C5 1.468(10) .
C7 C10 1.343(11) .
C7 C11 1.492(10) .
C8 C9 1.334(11) .
C8 C12 1.480(10) .
C9 H9 0.9300 .
C9 C10 1.417(11) .
C10 H10 0.9300 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15 0.9300 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20 0.9300 .
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
Co1 O3 C5 O2 116.8(6) 1_655
Co1 O3 C5 C4 -65.1(7) 1_655
Co1 O5 C6 O4 -26.5(11) .
Co1 O5 C6 C1 151.7(5) .
Co1 O7 C11 O8 11.2(12) .
Co1 O7 C11 C7 -170.7(5) .
Co2 O3 C5 O2 0.0(6) 1_655
Co2 O3 C5 C4 178.1(4) 1_655
Co2 O4 C6 O5 -9.9(11) .
Co2 O4 C6 C1 172.1(5) .
Co2 O8 C11 O7 13.6(10) 3_656
Co2 O8 C11 C7 -164.6(4) 3_656
Co2 O9 C12 O10 -7.3(8) 2_656
Co2 O9 C12 C8 170.3(5) 2_656
O1 C1 C2 C3 -0.4(8) .
O1 C1 C6 O4 16.9(10) .
O1 C1 C6 O5 -161.4(6) .
O1 C4 C5 O2 -9.7(9) .
O1 C4 C5 O3 172.2(5) .
O3 Co1 O5 C6 -118.4(6) 3_756
O3 Co1 O5 C6 61.6(6) 1_455
O3 Co1 O7 C11 -175.4(7) 1_455
O3 Co1 O7 C11 4.6(7) 3_756
O3 Co2 O4 C6 -6.9(6) 1_455
O5 Co1 O5 C6 -132(100) 3_656
O5 Co1 O7 C11 97.9(7) .
O5 Co1 O7 C11 -82.1(7) 3_656
O6 C7 C10 C9 0.6(10) .
O6 C7 C11 O7 3.4(10) .
O6 C7 C11 O8 -178.3(6) .
O6 C8 C9 C10 1.3(10) .
O6 C8 C12 O9 -4.4(9) .
O6 C8 C12 O10 173.2(6) .
O7 Co1 O5 C6 149.9(6) .
O7 Co1 O5 C6 -30.1(6) 3_656
O7 Co1 O7 C11 66(100) 3_656
O8 Co2 O4 C6 103.2(6) 3_656
O9 Co2 O4 C6 -155.7(6) 2_646
C1 O1 C4 C3 2.2(7) .
C1 O1 C4 C5 -178.5(5) .
C1 C2 C3 C4 1.7(8) .
C2 C1 C6 O4 -166.1(8) .
C2 C1 C6 O5 15.5(12) .
C2 C3 C4 O1 -2.4(8) .
C2 C3 C4 C5 178.5(7) .
C3 C4 C5 O2 169.4(7) .
C3 C4 C5 O3 -8.7(11) .
C4 O1 C1 C2 -1.1(7) .
C4 O1 C1 C6 176.5(6) .
C6 C1 C2 C3 -177.5(7) .
C7 O6 C8 C9 -1.0(8) .
C7 O6 C8 C12 -177.5(6) .
C8 O6 C7 C10 0.2(8) .
C8 O6 C7 C11 -179.9(6) .
C8 C9 C10 C7 -1.2(11) .
C9 C8 C12 O9 -180.0(9) .
C9 C8 C12 O10 -2.4(13) .
C10 C7 C11 O7 -176.7(9) .
C10 C7 C11 O8 1.6(12) .
C11 C7 C10 C9 -179.2(8) .
C12 C8 C9 C10 177.0(8) .
C16 N3 C15 O12 -160(3) .
C17 N3 C15 O12 -6(4) .
C18 N2 C20 O11 -169(2) .
C19 N2 C20 O11 1(3) .
