#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:44:53 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179594 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/58/4505825.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_4505825
loop_
_publ_author_name
'Cheng, Deping'
'Khan, Masood A.'
'Houser, Robert P.'
_publ_section_title
;
 Novel Sandwich Coordination Polymers Composed of Cobalt(II),
 1,2,4,5-Benzenetetracarboxylato Ligands, and Homopiperazonium Cations
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              415
_journal_paper_doi               10.1021/cg025547z
_journal_volume                  2
_journal_year                    2002
_chemical_formula_sum            'C25 H64 Co3 N2 O39'
_chemical_formula_weight         1193.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.10(2)
_cell_angle_beta                 92.423(19)
_cell_angle_gamma                98.90(2)
_cell_formula_units_Z            2
_cell_length_a                   9.823(4)
_cell_length_b                   11.587(4)
_cell_length_c                   20.385(7)
_cell_measurement_reflns_used    65
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      15.94
_cell_measurement_theta_min      5.09
_cell_volume                     2279.5(15)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8547
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.199
_exptl_absorpt_correction_T_max  0.7301
_exptl_absorpt_correction_T_min  0.5969
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1242
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.496
_refine_diff_density_min         -1.201
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         7994
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0675P)²+40.8055P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2110
_refine_ls_wR_factor_ref         0.2273
_reflns_number_gt                6612
_reflns_number_total             7994
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg025547z_s2.cif
_cod_data_source_block           compound_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        2279.5(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4505825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.25145(7) 0.98731(6) 0.75326(3) 0.00962(15) Uani 1 1 d .
O1 O 0.3953(4) 1.1391(3) 0.78401(18) 0.0191(9) Uani 1 1 d .
O2 O 0.1027(4) 0.8379(3) 0.71986(17) 0.0136(8) Uani 1 1 d .
O3 O 0.3744(4) 0.8817(3) 0.79591(18) 0.0169(9) Uani 1 1 d .
O4 O 0.1341(4) 1.0922(3) 0.70675(18) 0.0158(8) Uani 1 1 d .
O5 O 0.3652(3) 0.9805(3) 0.66558(17) 0.0114(8) Uani 1 1 d .
O6 O 0.3577(4) 1.1595(3) 0.63577(18) 0.0199(9) Uani 1 1 d .
O7 O 0.4094(4) 0.6808(3) 0.45997(19) 0.0170(9) Uani 1 1 d .
O8 O 0.3149(4) 0.7707(3) 0.38224(18) 0.0187(9) Uani 1 1 d .
O9 O 0.1393(3) 1.0058(3) 0.83707(17) 0.0123(8) Uani 1 1 d .
O10 O 0.1144(4) 0.8217(3) 0.8627(2) 0.0263(10) Uani 1 1 d .
O11 O -0.1745(4) 0.7516(3) 0.88782(19) 0.0241(10) Uani 1 1 d .
O12 O -0.1023(4) 0.6827(3) 0.9786(2) 0.0230(10) Uani 1 1 d .
C1 C 0.3903(5) 1.0610(4) 0.6266(2) 0.0114(11) Uani 1 1 d .
C2 C 0.4551(5) 1.0293(4) 0.5629(2) 0.0125(11) Uani 1 1 d .
C3 C 0.4115(5) 0.9170(4) 0.5295(2) 0.0111(11) Uani 1 1 d .
H3A H 0.3511 0.8602 0.5497 0.013 Uiso 1 1 calc R
C4 C 0.4565(5) 0.8891(4) 0.4675(2) 0.0112(11) Uani 1 1 d .
C5 C 0.3911(5) 0.7704(4) 0.4334(2) 0.0111(11) Uani 1 1 d .
C6 C 0.1038(5) 0.9238(4) 0.8745(2) 0.0135(11) Uani 1 1 d .
C7 C 0.0428(5) 0.9618(4) 0.9384(2) 0.0119(11) Uani 1 1 d .
C8 C 0.0895(5) 1.0757(4) 0.9676(2) 0.0110(10) Uiso 1 1 d .
H8A H 0.1510 1.1280 0.9450 0.013 Uiso 1 1 calc R
C9 C -0.0476(5) 0.8863(4) 0.9709(2) 0.0138(11) Uani 1 1 d .
C10 C -0.1114(5) 0.7642(4) 0.9422(2) 0.0105(11) Uani 1 1 d .
Co2 Co -0.5000 0.5000 1.0000 0.0092(2) Uani 1 2 d S
Co3 Co -0.24431(6) 0.99476(5) 0.75199(3) 0.00895(15) Uani 1 1 d .
Co4 Co 0.0000 0.5000 0.5000 0.0091(2) Uani 1 2 d S
O13 O -0.6925(4) 0.5026(3) 1.03511(19) 0.0160(9) Uani 1 1 d .
O14 O -0.5826(4) 0.4574(3) 0.90173(18) 0.0154(8) Uani 1 1 d .
O15 O -0.4909(4) 0.6840(3) 0.99099(17) 0.0122(8) Uani 1 1 d .
O16 O -0.4983(4) 0.7480(3) 1.09712(17) 0.0152(8) Uani 1 1 d .
O17 O -0.3604(3) 0.9929(3) 0.83728(17) 0.0111(8) Uani 1 1 d .
O18 O -0.2407(4) 1.1461(3) 0.89996(18) 0.0168(9) Uani 1 1 d .
O19 O -0.1585(4) 0.8487(3) 0.77274(17) 0.0151(8) Uani 1 1 d .
O20 O -0.3311(4) 1.1436(3) 0.73202(17) 0.0143(8) Uani 1 1 d .
O21 O -0.4062(4) 0.8877(3) 0.69887(18) 0.0154(8) Uani 1 1 d .
O22 O -0.0790(4) 1.1105(3) 0.80465(17) 0.0147(8) Uani 1 1 d .
O23 O -0.1281(3) 0.9956(3) 0.66609(17) 0.0117(8) Uani 1 1 d .
O24 O -0.2475(4) 0.8454(3) 0.60166(19) 0.0194(9) Uani 1 1 d .
O25 O 0.0102(4) 0.6845(3) 0.49090(16) 0.0120(8) Uani 1 1 d .
O26 O 0.0294(4) 0.7529(3) 0.59650(18) 0.0216(10) Uani 1 1 d .
O27 O 0.2096(4) 0.5116(3) 0.4952(2) 0.0232(10) Uani 1 1 d .
O28 O 0.0306(4) 0.5285(3) 0.60254(17) 0.0157(8) Uani 1 1 d .
C11 C -0.4998(5) 0.7624(4) 1.0372(2) 0.0087(10) Uani 1 1 d U
C12 C -0.5073(5) 0.8841(4) 1.0180(2) 0.0112(11) Uani 1 1 d U
C13 C -0.4382(5) 0.9207(4) 0.9624(2) 0.0100(11) Uani 1 1 d U
H13A H -0.3964 0.8655 0.9361 0.012 Uiso 1 1 calc R
C14 C -0.4291(5) 1.0339(4) 0.9448(2) 0.0112(11) Uani 1 1 d .
C15 C -0.3377(5) 1.0616(4) 0.8892(2) 0.0107(11) Uani 1 1 d .
C16 C -0.1523(5) 0.9306(4) 0.6122(2) 0.0132(11) Uani 1 1 d .
C17 C -0.0647(5) 0.9648(4) 0.5563(2) 0.0112(11) Uani 1 1 d .
C18 C -0.0657(5) 1.0766(4) 0.5381(2) 0.0113(11) Uani 1 1 d .
H18A H -0.1121 1.1289 0.5639 0.014 Uiso 1 1 calc R
C19 C -0.0001(5) 0.8849(4) 0.5177(2) 0.0092(10) Uani 1 1 d .
C20 C 0.0137(5) 0.7651(4) 0.5370(2) 0.0097(11) Uani 1 1 d .
N1 N 0.3884(4) 1.4887(4) 0.2900(2) 0.0161(10) Uani 1 1 d .
N2 N 0.7121(5) 1.4835(4) 0.3146(2) 0.0194(11) Uani 1 1 d .
C21 C 0.5062(6) 1.5866(5) 0.2985(3) 0.0232(14) Uani 1 1 d .
H21A H 0.5246 1.6127 0.3461 0.028 Uiso 1 1 calc R
H21B H 0.4816 1.6536 0.2762 0.028 Uiso 1 1 calc R
C22 C 0.5141(6) 1.3926(6) 0.3773(3) 0.0260(14) Uani 1 1 d .
H22A H 0.5427 1.4660 0.4066 0.031 Uiso 1 1 calc R
H22B H 0.4974 1.3275 0.4057 0.031 Uiso 1 1 calc R
C23 C 0.6348(6) 1.5511(5) 0.2707(3) 0.0239(14) Uani 1 1 d .
H23A H 0.6090 1.5028 0.2282 0.029 Uiso 1 1 calc R
H23B H 0.6971 1.6228 0.2615 0.029 Uiso 1 1 calc R
C24 C 0.6322(6) 1.3727(5) 0.3347(3) 0.0269(15) Uani 1 1 d .
H24A H 0.6958 1.3312 0.3592 0.032 Uiso 1 1 calc R
H24B H 0.5951 1.3212 0.2946 0.032 Uiso 1 1 calc R
C25 C 0.3791(6) 1.4011(5) 0.3404(3) 0.0270(14) Uani 1 1 d .
H25A H 0.3411 1.3228 0.3179 0.032 Uiso 1 1 calc R
H25B H 0.3126 1.4217 0.3730 0.032 Uiso 1 1 calc R
O29 O 0.1531(4) 1.3024(3) 0.62168(18) 0.0193(9) Uani 1 1 d .
O30 O -0.3192(4) 0.6825(3) 0.49592(19) 0.0203(9) Uani 1 1 d .
O31 O 0.1862(4) 0.6821(3) -0.0011(2) 0.0238(10) Uani 1 1 d .
O32 O -0.2980(4) 1.3450(3) 0.81343(19) 0.0211(9) Uani 1 1 d .
O33 O 0.1261(5) 0.3971(4) -0.1115(2) 0.0375(13) Uani 1 1 d .
O34 O -0.0277(4) 0.6866(3) 0.2502(2) 0.0227(10) Uani 1 1 d .
O35 O 0.3201(4) 0.6936(4) 0.8732(2) 0.0313(11) Uani 1 1 d .
O36 O 0.4111(4) 1.3789(4) 0.1659(2) 0.0265(10) Uani 1 1 d .
O37 O 0.1565(4) 0.5843(3) 0.32177(18) 0.0186(9) Uani 1 1 d .
O38 O 0.0791(5) 0.4732(4) 0.1572(2) 0.0333(12) Uani 1 1 d .
O39 O -0.1282(4) 0.3771(3) 0.2320(2) 0.0233(10) Uani 1 1 d .
H1 H 0.3901 1.4297 0.2473 0.113 Uiso 1 1 d .
H2 H 0.2886 1.5155 0.2885 0.033 Uiso 1 1 d .
H3 H 0.7905 1.4532 0.2868 0.011 Uiso 1 1 d .
H4 H 0.7573 1.5389 0.3567 0.058 Uiso 1 1 d .
H1D H 0.4233 1.1677 0.8264 0.066 Uiso 1 1 d .
H1E H 0.4773 1.1440 0.7640 0.051 Uiso 1 1 d .
H2D H 0.0963 0.7680 0.7384 0.020 Uiso 1 1 d .
H2E H 0.0827 0.8114 0.6762 0.050 Uiso 1 1 d .
H3D H 0.3483 0.8275 0.8248 0.027 Uiso 1 1 d .
H3E H 0.4641 0.9085 0.8103 0.023 Uiso 1 1 d .
H4D H 0.1734 1.1277 0.6726 0.072 Uiso 1 1 d .
H4E H 0.0467 1.0642 0.6899 0.027 Uiso 1 1 d .
H13D H -0.7300 0.5695 1.0329 0.066 Uiso 1 1 d .
H13E H -0.7624 0.4534 1.0512 0.098 Uiso 1 1 d .
H14D H -0.6820 0.4640 0.8943 0.050 Uiso 1 1 d .
H14E H -0.5516 0.4039 0.8914 0.050 Uiso 1 1 d .
H19D H -0.1577 0.8583 0.8162 0.050 Uiso 1 1 d .
H19E H -0.0971 0.8423 0.7489 0.050 Uiso 1 1 d .
H20D H -0.3418 1.1407 0.6851 0.050 Uiso 1 1 d .
H20E H -0.3169 1.2054 0.7648 0.050 Uiso 1 1 d .
H21D H -0.4903 0.8917 0.6869 0.050 Uiso 1 1 d .
H21E H -0.3874 0.8636 0.6638 0.050 Uiso 1 1 d .
H22D H -0.1259 1.1385 0.8427 0.091 Uiso 1 1 d .
H22E H 0.0077 1.0877 0.8193 0.129 Uiso 1 1 d .
H27D H 0.2576 0.5615 0.4744 0.050 Uiso 1 1 d .
H27E H 0.2392 0.4397 0.5018 0.050 Uiso 1 1 d .
H28D H 0.0166 0.6011 0.6168 0.050 Uiso 1 1 d .
H28E H -0.0261 0.5062 0.6282 0.050 Uiso 1 1 d .
H29D H 0.0852 1.2948 0.5847 0.049 Uiso 1 1 d .
H29E H 0.2265 1.2644 0.6031 0.079 Uiso 1 1 d .
H30D H -0.4139 0.6915 0.4849 0.050 Uiso 1 1 d .
H30E H -0.2847 0.7412 0.5322 0.035 Uiso 1 1 d .
H31E H 0.1955 0.7451 0.0351 0.019 Uiso 1 1 d .
H31D H 0.0964 0.6989 -0.0166 0.095 Uiso 1 1 d .
H32E H -0.3379 1.3050 0.8462 0.044 Uiso 1 1 d .
H32D H -0.2176 1.3976 0.8201 0.059 Uiso 1 1 d .
H33D H 0.0971 0.3549 -0.0768 0.012 Uiso 1 1 d .
H33E H 0.0909 0.3428 -0.1457 0.045 Uiso 1 1 d .
H34D H 0.0164 0.7452 0.2280 0.122 Uiso 1 1 d .
H34E H -0.0883 0.6983 0.2819 0.025 Uiso 1 1 d .
H35D H 0.3880 0.6621 0.8955 0.050 Uiso 1 1 d .
H35E H 0.2849 0.7077 0.9128 0.050 Uiso 1 1 d .
H36D H 0.4710 1.4291 0.1411 0.050 Uiso 1 1 d .
H36E H 0.3468 1.3466 0.1522 0.050 Uiso 1 1 d .
H37D H 0.1122 0.6354 0.2855 0.050 Uiso 1 1 d .
H37E H 0.1811 0.6208 0.3591 0.050 Uiso 1 1 d .
H38D H 0.0586 0.5039 0.1962 0.050 Uiso 1 1 d .
H38E H 0.0816 0.5170 0.1420 0.050 Uiso 1 1 d .
H39D H -0.0567 0.4153 0.2202 0.050 Uiso 1 1 d .
H39E H -0.1916 0.3425 0.1987 0.050 Uiso 1 1 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
O4 Co1 O3 177.27(15) . .
O4 Co1 O9 89.62(14) . .
O3 Co1 O9 93.11(14) . .
O4 Co1 O1 88.28(15) . .
O3 Co1 O1 91.49(15) . .
O9 Co1 O1 92.70(14) . .
O4 Co1 O2 89.62(14) . .
O3 Co1 O2 90.59(14) . .
O9 Co1 O2 87.69(14) . .
O1 Co1 O2 177.86(15) . .
O4 Co1 O5 87.02(14) . .
O3 Co1 O5 90.25(14) . .
O9 Co1 O5 175.98(13) . .
O1 Co1 O5 85.00(14) . .
O2 Co1 O5 94.48(13) . .
C1 O5 Co1 127.2(3) . .
C6 O9 Co1 124.6(3) . .
O6 C1 O5 124.3(5) . .
O6 C1 C2 118.3(4) . .
O5 C1 C2 117.2(4) . .
C4 C2 C3 118.9(4) 2_676 .
C4 C2 C1 122.2(4) 2_676 .
C3 C2 C1 118.5(4) . .
C4 C3 C2 120.3(4) . .
C3 C4 C2 120.8(4) . 2_676
C3 C4 C5 115.5(4) . .
C2 C4 C5 123.3(4) 2_676 .
O7 C5 O8 124.8(4) . .
O7 C5 C4 118.2(4) . .
O8 C5 C4 116.9(4) . .
O10 C6 O9 125.8(5) . .
O10 C6 C7 118.7(5) . .
O9 C6 C7 115.5(4) . .
C9 C7 C8 119.4(5) . .
C9 C7 C6 122.7(4) . .
C8 C7 C6 117.7(4) . .
C9 C8 C7 121.1(5) 2_577 .
C7 C9 C8 119.5(4) . 2_577
C7 C9 C10 123.9(4) . .
C8 C9 C10 116.6(4) 2_577 .
O11 C10 O12 124.8(4) . .
O11 C10 C9 118.9(4) . .
O12 C10 C9 116.1(4) . .
O13 Co2 O13 180.000(1) . 2_467
O13 Co2 O14 87.98(15) . 2_467
O13 Co2 O14 92.02(15) 2_467 2_467
O13 Co2 O14 92.02(15) . .
O13 Co2 O14 87.98(15) 2_467 .
O14 Co2 O14 180.000(1) 2_467 .
O13 Co2 O15 93.04(14) . 2_467
O13 Co2 O15 86.96(14) 2_467 2_467
O14 Co2 O15 91.37(13) 2_467 2_467
O14 Co2 O15 88.63(13) . 2_467
O13 Co2 O15 86.96(14) . .
O13 Co2 O15 93.04(14) 2_467 .
O14 Co2 O15 88.63(13) 2_467 .
O14 Co2 O15 91.37(13) . .
O15 Co2 O15 180.000(1) 2_467 .
O21 Co3 O19 90.03(14) . .
O21 Co3 O20 90.39(14) . .
O19 Co3 O20 179.37(14) . .
O21 Co3 O17 90.17(14) . .
O19 Co3 O17 93.44(14) . .
O20 Co3 O17 86.09(14) . .
O21 Co3 O22 177.81(14) . .
O19 Co3 O22 91.99(14) . .
O20 Co3 O22 87.61(14) . .
O17 Co3 O22 90.56(13) . .
O21 Co3 O23 89.56(14) . .
O19 Co3 O23 86.36(14) . .
O20 Co3 O23 94.12(14) . .
O17 Co3 O23 179.66(13) . .
O22 Co3 O23 89.71(14) . .
O27 Co4 O27 180.0(2) 2_566 .
O27 Co4 O28 88.05(16) 2_566 2_566
O27 Co4 O28 91.95(16) . 2_566
O27 Co4 O28 91.95(16) 2_566 .
O27 Co4 O28 88.05(16) . .
O28 Co4 O28 180.000(1) 2_566 .
O27 Co4 O25 88.27(14) 2_566 .
O27 Co4 O25 91.73(14) . .
O28 Co4 O25 88.02(13) 2_566 .
O28 Co4 O25 91.98(13) . .
O27 Co4 O25 91.73(14) 2_566 2_566
O27 Co4 O25 88.27(14) . 2_566
O28 Co4 O25 91.98(13) 2_566 2_566
O28 Co4 O25 88.02(13) . 2_566
O25 Co4 O25 180.000(1) . 2_566
C11 O15 Co2 126.3(3) . .
C15 O17 Co3 127.6(3) . .
C16 O23 Co3 129.0(3) . .
C20 O25 Co4 127.1(3) . .
O16 C11 O15 125.3(4) . .
O16 C11 C12 117.7(4) . .
O15 C11 C12 116.9(4) . .
C14 C12 C13 117.9(4) 2_477 .
C14 C12 C11 123.5(4) 2_477 .
C13 C12 C11 118.4(4) . .
C14 C13 C12 122.2(5) . .
C13 C14 C12 119.8(5) . 2_477
C13 C14 C15 115.2(4) . .
C12 C14 C15 124.8(4) 2_477 .
O18 C15 O17 125.7(5) . .
O18 C15 C14 117.5(4) . .
O17 C15 C14 116.6(4) . .
O24 C16 O23 124.8(5) . .
O24 C16 C17 118.4(4) . .
O23 C16 C17 116.7(4) . .
C18 C17 C19 120.2(5) . .
C18 C17 C16 116.2(4) . .
C19 C17 C16 123.1(4) . .
C17 C18 C19 121.8(5) . 2_576
C17 C19 C18 118.1(4) . 2_576
C17 C19 C20 123.1(4) . .
C18 C19 C20 118.6(4) 2_576 .
O26 C20 O25 124.9(4) . .
O26 C20 C19 118.0(4) . .
O25 C20 C19 117.0(4) . .
C21 N1 C25 117.2(4) . .
C24 N2 C23 115.9(4) . .
N1 C21 C23 111.9(5) . .
C24 C22 C25 115.7(5) . .
N2 C23 C21 114.6(5) . .
N2 C24 C22 113.7(5) . .
N1 C25 C22 115.4(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O4 2.062(4) .
Co1 O3 2.066(4) .
Co1 O9 2.084(4) .
Co1 O1 2.108(4) .
Co1 O2 2.126(3) .
Co1 O5 2.150(4) .
O5 C1 1.281(6) .
O6 C1 1.233(6) .
O7 C5 1.246(6) .
O8 C5 1.259(6) .
O9 C6 1.287(6) .
O10 C6 1.208(6) .
O11 C10 1.233(6) .
O12 C10 1.263(6) .
C1 C2 1.511(7) .
C2 C4 1.388(7) 2_676
C2 C3 1.409(7) .
C3 C4 1.385(7) .
C4 C2 1.388(7) 2_676
C4 C5 1.518(7) .
C6 C7 1.515(7) .
C7 C9 1.380(7) .
C7 C8 1.398(7) .
C8 C9 1.393(7) 2_577
C9 C8 1.393(7) 2_577
C9 C10 1.511(7) .
Co2 O13 2.054(4) .
Co2 O13 2.054(4) 2_467
Co2 O14 2.116(4) 2_467
Co2 O14 2.116(4) .
Co2 O15 2.144(3) 2_467
Co2 O15 2.144(3) .
Co3 O21 2.060(4) .
Co3 O19 2.071(4) .
Co3 O20 2.102(4) .
Co3 O17 2.119(4) .
Co3 O22 2.124(4) .
Co3 O23 2.130(4) .
Co4 O27 2.050(4) 2_566
Co4 O27 2.050(4) .
Co4 O28 2.089(4) 2_566
Co4 O28 2.089(4) .
Co4 O25 2.149(3) .
Co4 O25 2.149(3) 2_566
O15 C11 1.265(6) .
O16 C11 1.247(6) .
O17 C15 1.257(6) .
O18 C15 1.253(6) .
O23 C16 1.266(6) .
O24 C16 1.247(6) .
O25 C20 1.259(6) .
O26 C20 1.240(6) .
C11 C12 1.508(7) .
C12 C14 1.401(7) 2_477
C12 C13 1.409(7) .
C13 C14 1.381(7) .
C14 C12 1.401(7) 2_477
C14 C15 1.502(7) .
C16 C17 1.503(7) .
C17 C18 1.380(7) .
C17 C19 1.404(7) .
C18 C19 1.405(7) 2_576
C19 C18 1.405(7) 2_576
C19 C20 1.499(6) .
N1 C21 1.482(7) .
N1 C25 1.502(7) .
N2 C24 1.496(7) .
N2 C23 1.498(8) .
C21 C23 1.505(8) .
C22 C24 1.511(9) .
C22 C25 1.518(8) .
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
O4 Co1 O5 C1 32.3(4) . .
O3 Co1 O5 C1 -147.7(4) . .
O1 Co1 O5 C1 -56.2(4) . .
O2 Co1 O5 C1 121.7(4) . .
O4 Co1 O9 C6 142.4(4) . .
O3 Co1 O9 C6 -37.7(4) . .
O1 Co1 O9 C6 -129.3(4) . .
O2 Co1 O9 C6 52.8(4) . .
Co1 O5 C1 O6 3.9(7) . .
Co1 O5 C1 C2 -171.5(3) . .
O6 C1 C2 C4 35.3(7) . 2_676
O5 C1 C2 C4 -149.0(5) . 2_676
O6 C1 C2 C3 -137.2(5) . .
O5 C1 C2 C3 38.5(7) . .
C4 C2 C3 C4 0.0(8) 2_676 .
C1 C2 C3 C4 172.7(5) . .
C2 C3 C4 C2 0.0(8) . 2_676
C2 C3 C4 C5 -173.7(4) . .
C3 C4 C5 O7 -62.1(6) . .
C2 C4 C5 O7 124.2(5) 2_676 .
C3 C4 C5 O8 113.5(5) . .
C2 C4 C5 O8 -60.1(7) 2_676 .
Co1 O9 C6 O10 -9.8(7) . .
Co1 O9 C6 C7 170.7(3) . .
O10 C6 C7 C9 -25.8(8) . .
O9 C6 C7 C9 153.7(5) . .
O10 C6 C7 C8 149.0(5) . .
O9 C6 C7 C8 -31.5(7) . .
C9 C7 C8 C9 0.7(8) . 2_577
C6 C7 C8 C9 -174.3(5) . 2_577
C8 C7 C9 C8 -0.7(8) . 2_577
C6 C7 C9 C8 174.1(5) . 2_577
C8 C7 C9 C10 176.1(5) . .
C6 C7 C9 C10 -9.2(8) . .
C7 C9 C10 O11 -54.3(7) . .
C8 C9 C10 O11 122.5(5) 2_577 .
C7 C9 C10 O12 129.8(5) . .
C8 C9 C10 O12 -53.4(7) 2_577 .
O13 Co2 O15 C11 59.3(4) . .
O13 Co2 O15 C11 -120.7(4) 2_467 .
O14 Co2 O15 C11 -28.8(4) 2_467 .
O14 Co2 O15 C11 151.2(4) . .
O21 Co3 O17 C15 -163.7(4) . .
O19 Co3 O17 C15 106.2(4) . .
O20 Co3 O17 C15 -73.4(4) . .
O22 Co3 O17 C15 14.2(4) . .
O21 Co3 O23 C16 -12.7(4) . .
O19 Co3 O23 C16 77.3(4) . .
O20 Co3 O23 C16 -103.1(4) . .
O22 Co3 O23 C16 169.3(4) . .
O27 Co4 O25 C20 83.5(4) 2_566 .
O27 Co4 O25 C20 -96.5(4) . .
O28 Co4 O25 C20 171.6(4) 2_566 .
O28 Co4 O25 C20 -8.4(4) . .
Co2 O15 C11 O16 9.4(7) . .
Co2 O15 C11 C12 -173.1(3) . .
O16 C11 C12 C14 -29.1(7) . 2_477
O15 C11 C12 C14 153.2(5) . 2_477
O16 C11 C12 C13 146.1(5) . .
O15 C11 C12 C13 -31.6(6) . .
C14 C12 C13 C14 1.5(8) 2_477 .
C11 C12 C13 C14 -174.0(4) . .
C12 C13 C14 C12 -1.5(8) . 2_477
C12 C13 C14 C15 173.0(4) . .
Co3 O17 C15 O18 0.5(7) . .
Co3 O17 C15 C14 -174.6(3) . .
C13 C14 C15 O18 -123.3(5) . .
C12 C14 C15 O18 50.9(7) 2_477 .
C13 C14 C15 O17 52.2(6) . .
C12 C14 C15 O17 -133.6(5) 2_477 .
Co3 O23 C16 O24 -5.8(7) . .
Co3 O23 C16 C17 170.0(3) . .
O24 C16 C17 C18 119.3(5) . .
O23 C16 C17 C18 -56.8(6) . .
O24 C16 C17 C19 -51.9(7) . .
O23 C16 C17 C19 132.0(5) . .
C19 C17 C18 C19 -1.8(8) . 2_576
C16 C17 C18 C19 -173.3(4) . 2_576
C18 C17 C19 C18 1.8(8) . 2_576
C16 C17 C19 C18 172.6(4) . 2_576
C18 C17 C19 C20 175.6(4) . .
C16 C17 C19 C20 -13.6(7) . .
Co4 O25 C20 O26 9.7(7) . .
Co4 O25 C20 C19 -171.3(3) . .
C17 C19 C20 O26 -33.6(7) . .
C18 C19 C20 O26 140.1(5) 2_576 .
C17 C19 C20 O25 147.3(5) . .
C18 C19 C20 O25 -39.0(6) 2_576 .
C25 N1 C21 C23 83.1(6) . .
C24 N2 C23 C21 57.3(6) . .
N1 C21 C23 N2 -80.2(6) . .
C23 N2 C24 C22 -64.9(7) . .
C25 C22 C24 N2 85.9(6) . .
C21 N1 C25 C22 -23.3(7) . .
C24 C22 C25 N1 -52.8(7) . .
