#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (Thu 18 de Feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/76/1517644.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_1517644
loop_
_publ_author_name
'Ciana M. Rogers'
'Curtis Y. Wang'
'Gregory A. Farnum'
'Robert L. LaDuca'
_publ_section_title
;
 Divalent metal homophthalate coordination polymers with long-spanning
 dipyridyl ligands containing piperazine moieties
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              78
_journal_page_last               84
_journal_volume                  403
_journal_year                    2013
_chemical_formula_sum            'C25 H32 Co N4 O11'
_chemical_formula_weight         623.48
_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
_cell_angle_alpha                97.7060(10)
_cell_angle_beta                 96.6610(10)
_cell_angle_gamma                106.4890(10)
_cell_formula_units_Z            2
_cell_length_a                   7.4031(9)
_cell_length_b                   11.9709(14)
_cell_length_c                   16.4265(19)
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.31
_cell_measurement_theta_min      2.38
_cell_volume                     1365.0(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22162
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.32
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_T_max  0.8744
_exptl_absorpt_correction_T_min  0.7557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.270
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         4958
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0243
_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)+(0.0239P)²+0.8496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0601
_refine_ls_wR_factor_ref         0.0620
_reflns_number_gt                4545
_reflns_number_total             4958
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-403-78-84-1.cif
_cod_data_source_block           p1b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1517644
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 0.5000 0.5000 0.0000 0.01324(8) Uani 1 2 d S
Co2 Co 1.0000 0.0000 0.0000 0.01349(8) Uani 1 2 d S
O1 O 0.57013(16) 0.16758(9) 0.04620(8) 0.0293(3) Uani 1 1 d .
O1W O 0.36609(19) -0.11598(12) 0.18030(8) 0.0380(3) Uani 1 1 d D
H1WA H 0.346(3) -0.0706(17) 0.1469(12) 0.046 Uiso 1 1 d D
H1WB H 0.270(3) -0.1786(15) 0.1662(13) 0.046 Uiso 1 1 d D
O2 O 0.37690(19) 0.71262(10) 0.40885(7) 0.0309(3) Uani 1 1 d .
O2W O 0.4142(3) -0.07024(13) 0.35107(10) 0.0664(5) Uani 1 1 d D
H2WA H 0.386(4) -0.084(2) 0.2974(11) 0.080 Uiso 1 1 d D
H2WB H 0.395(4) -0.1372(18) 0.3655(16) 0.080 Uiso 1 1 d D
O3 O 1.02501(17) 0.71718(10) 0.11735(7) 0.0316(3) Uani 1 1 d .
O3W O 0.5015(4) 0.83386(16) 0.58189(12) 0.0913(8) Uani 1 1 d D
H3WA H 0.501(5) 0.9041(18) 0.5976(19) 0.110 Uiso 1 1 d D
H3WB H 0.468(5) 0.817(3) 0.5300(11) 0.110 Uiso 1 1 d D
O4 O 1.05520(19) 0.25455(10) 0.42154(7) 0.0335(3) Uani 1 1 d .
O5 O 1.27209(15) -0.01843(10) 0.03334(7) 0.0198(2) Uani 1 1 d D
H5A H 1.359(2) 0.0463(13) 0.0364(11) 0.024 Uiso 1 1 d D
H5B H 1.302(3) -0.0714(14) 0.0043(10) 0.024 Uiso 1 1 d D
O6 O 0.78711(14) 0.57534(9) 0.03799(6) 0.0181(2) Uani 1 1 d .
O7 O 0.87658(16) -0.17365(9) 0.00863(7) 0.0218(2) Uani 1 1 d D
H7C H 0.935(2) -0.2052(16) 0.0414(10) 0.026 Uiso 1 1 d D
H7D H 0.761(2) -0.2177(15) -0.0034(11) 0.026 Uiso 1 1 d D
O8 O 0.49129(14) 0.32714(9) 0.02429(6) 0.0185(2) Uani 1 1 d .
N1 N 0.9510(2) 0.06324(12) 0.43899(8) 0.0270(3) Uani 1 1 d .
N2 N 0.40897(19) 0.53636(12) 0.43157(8) 0.0209(3) Uani 1 1 d .
N3 N 0.99948(18) 0.05270(11) 0.13110(8) 0.0193(3) Uani 1 1 d .
N4 N 0.44621(17) 0.54643(11) 0.12375(7) 0.0171(3) Uani 1 1 d .
C1 C 0.9262(3) 0.09507(16) 0.52509(10) 0.0311(4) Uani 1 1 d .
H1A H 0.7942 0.0537 0.5320 0.037 Uiso 1 1 calc R
H1B H 0.9463 0.1813 0.5382 0.037 Uiso 1 1 calc R
C2 C 0.9341(3) -0.06182(15) 0.41527(10) 0.0301(4) Uani 1 1 d .
H2A H 0.9611 -0.0769 0.3579 0.036 Uiso 1 1 calc R
H2B H 0.8023 -0.1109 0.4165 0.036 Uiso 1 1 calc R
C3 C 1.0069(2) 0.10932(14) 0.30209(9) 0.0227(3) Uani 1 1 d .
C4 C 0.9349(2) 0.53866(17) 0.31959(11) 0.0306(4) Uani 1 1 d .
H4 H 0.9623 0.5797 0.3754 0.037 Uiso 1 1 calc R
C5 C 0.8831(2) 0.41628(17) 0.30310(11) 0.0321(4) Uani 1 1 d .
H5 H 0.8725 0.3727 0.3475 0.038 Uiso 1 1 calc R
C6 C 1.1689(2) 0.15134(14) 0.26673(10) 0.0241(3) Uani 1 1 d .
H6 H 1.2849 0.2000 0.3004 0.029 Uiso 1 1 calc R
C7 C 0.4933(2) 0.43940(14) 0.41670(9) 0.0216(3) Uani 1 1 d .
H7A H 0.5424 0.4398 0.3632 0.026 Uiso 1 1 calc R
H7B H 0.3945 0.3625 0.4134 0.026 Uiso 1 1 calc R
C8 C 0.8468(2) 0.35780(15) 0.22176(11) 0.0275(4) Uani 1 1 d .
H8 H 0.8146 0.2739 0.2110 0.033 Uiso 1 1 calc R
C9 C 0.4268(2) 0.59057(14) 0.29345(9) 0.0195(3) Uani 1 1 d .
C10 C 0.5227(2) 0.67965(14) 0.25400(9) 0.0210(3) Uani 1 1 d .
H10 H 0.5830 0.7574 0.2843 0.025 Uiso 1 1 calc R
C11 C 0.8434(2) 0.01285(14) 0.16576(10) 0.0228(3) Uani 1 1 d .
H11 H 0.7293 -0.0358 0.1307 0.027 Uiso 1 1 calc R
C12 C 1.0094(2) 0.14837(14) 0.39345(10) 0.0244(3) Uani 1 1 d .
C13 C 0.8406(2) 0.03913(15) 0.25001(10) 0.0250(3) Uani 1 1 d .
H13 H 0.7266 0.0096 0.2720 0.030 Uiso 1 1 calc R
C14 C 0.3447(2) 0.54509(15) 0.51266(9) 0.0230(3) Uani 1 1 d .
H14A H 0.2400 0.4725 0.5136 0.028 Uiso 1 1 calc R
H14B H 0.2941 0.6133 0.5208 0.028 Uiso 1 1 calc R
C15 C 0.8562(2) 0.41879(13) 0.15496(10) 0.0194(3) Uani 1 1 d .
C16 C 0.5295(2) 0.65391(13) 0.17017(9) 0.0201(3) Uani 1 1 d .
H16 H 0.5968 0.7156 0.1441 0.024 Uiso 1 1 calc R
C17 C 1.1590(2) 0.12143(14) 0.18209(10) 0.0229(3) Uani 1 1 d .
H17 H 1.2706 0.1509 0.1585 0.027 Uiso 1 1 calc R
C18 C 0.3466(2) 0.46193(14) 0.16160(9) 0.0191(3) Uani 1 1 d .
H18 H 0.2812 0.3861 0.1291 0.023 Uiso 1 1 calc R
C19 C 0.3346(2) 0.47983(14) 0.24530(9) 0.0199(3) Uani 1 1 d .
H19 H 0.2642 0.4171 0.2697 0.024 Uiso 1 1 calc R
C20 C 0.8225(2) 0.34815(13) 0.06763(10) 0.0208(3) Uani 1 1 d .
H20A H 0.8586 0.4026 0.0278 0.025 Uiso 1 1 calc R
H20B H 0.9027 0.2946 0.0657 0.025 Uiso 1 1 calc R
C21 C 0.6138(2) 0.27638(13) 0.04332(9) 0.0176(3) Uani 1 1 d .
C22 C 0.9464(2) 0.60082(15) 0.25420(10) 0.0243(3) Uani 1 1 d .
H22 H 0.9842 0.6848 0.2656 0.029 Uiso 1 1 calc R
C23 C 0.9058(2) 0.61577(13) 0.10432(9) 0.0186(3) Uani 1 1 d .
C24 C 0.4068(2) 0.61843(14) 0.38351(9) 0.0215(3) Uani 1 1 d .
C25 C 0.9035(2) 0.54221(13) 0.17180(9) 0.0187(3) Uani 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
O6 Co1 O6 180.0 . 2_665
O6 Co1 O8 96.01(4) . .
O6 Co1 O8 83.99(4) 2_665 .
O6 Co1 O8 83.99(4) . 2_665
O6 Co1 O8 96.00(4) 2_665 2_665
O8 Co1 O8 180.00(5) . 2_665
O6 Co1 N4 90.98(4) . .
O6 Co1 N4 89.02(4) 2_665 .
O8 Co1 N4 89.62(4) . .
O8 Co1 N4 90.39(4) 2_665 .
O6 Co1 N4 89.02(4) . 2_665
O6 Co1 N4 90.98(4) 2_665 2_665
O8 Co1 N4 90.38(4) . 2_665
O8 Co1 N4 89.62(4) 2_665 2_665
N4 Co1 N4 180.0 . 2_665
O7 Co2 O7 180.0 2_755 .
O7 Co2 O5 89.88(4) 2_755 2_755
O7 Co2 O5 90.12(4) . 2_755
O7 Co2 O5 90.12(4) 2_755 .
O7 Co2 O5 89.88(4) . .
O5 Co2 O5 180.0 2_755 .
O7 Co2 N3 90.32(5) 2_755 2_755
O7 Co2 N3 89.68(5) . 2_755
O5 Co2 N3 87.66(5) 2_755 2_755
O5 Co2 N3 92.34(5) . 2_755
O7 Co2 N3 89.68(5) 2_755 .
O7 Co2 N3 90.32(5) . .
O5 Co2 N3 92.34(5) 2_755 .
O5 Co2 N3 87.66(5) . .
N3 Co2 N3 180.0 2_755 .
H1WA O1W H1WB 104.7(19) . .
H2WA O2W H2WB 106(2) . .
H3WA O3W H3WB 108(3) . .
Co2 O5 H5A 111.1(12) . .
Co2 O5 H5B 118.0(12) . .
H5A O5 H5B 107.9(16) . .
C23 O6 Co1 139.66(10) . .
Co2 O7 H7C 118.7(12) . .
Co2 O7 H7D 131.4(12) . .
H7C O7 H7D 107.2(16) . .
C21 O8 Co1 135.44(9) . .
C12 N1 C1 120.02(14) . .
C12 N1 C2 125.99(14) . .
C1 N1 C2 113.38(13) . .
C24 N2 C14 120.99(13) . .
C24 N2 C7 126.34(13) . .
C14 N2 C7 112.27(12) . .
C11 N3 C17 117.25(13) . .
C11 N3 Co2 121.48(10) . .
C17 N3 Co2 121.16(10) . .
C16 N4 C18 117.07(13) . .
C16 N4 Co1 122.60(10) . .
C18 N4 Co1 119.69(10) . .
N1 C1 C2 110.89(14) . 2_756
N1 C1 H1A 109.5 . .
C2 C1 H1A 109.5 2_756 .
N1 C1 H1B 109.5 . .
C2 C1 H1B 109.5 2_756 .
H1A C1 H1B 108.0 . .
N1 C2 C1 109.74(14) . 2_756
N1 C2 H2A 109.7 . .
C1 C2 H2A 109.7 2_756 .
N1 C2 H2B 109.7 . .
C1 C2 H2B 109.7 2_756 .
H2A C2 H2B 108.2 . .
C6 C3 C13 118.24(14) . .
C6 C3 C12 120.07(14) . .
C13 C3 C12 121.47(15) . .
C22 C4 C5 119.53(16) . .
C22 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C8 C5 C4 119.69(15) . .
C8 C5 H5 120.2 . .
C4 C5 H5 120.2 . .
C17 C6 C3 119.00(15) . .
C17 C6 H6 120.5 . .
C3 C6 H6 120.5 . .
N2 C7 C14 109.54(13) . 2_666
N2 C7 H7A 109.8 . .
C14 C7 H7A 109.8 2_666 .
N2 C7 H7B 109.8 . .
C14 C7 H7B 109.8 2_666 .
H7A C7 H7B 108.2 . .
C5 C8 C15 121.64(16) . .
C5 C8 H8 119.2 . .
C15 C8 H8 119.2 . .
C10 C9 C19 117.86(14) . .
C10 C9 C24 120.05(14) . .
C19 C9 C24 121.75(14) . .
C16 C10 C9 119.20(14) . .
C16 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
N3 C11 C13 123.17(15) . .
N3 C11 H11 118.4 . .
C13 C11 H11 118.4 . .
O4 C12 N1 123.55(15) . .
O4 C12 C3 119.00(14) . .
N1 C12 C3 117.36(14) . .
C11 C13 C3 118.99(15) . .
C11 C13 H13 120.5 . .
C3 C13 H13 120.5 . .
N2 C14 C7 111.37(13) . 2_666
N2 C14 H14A 109.4 . .
C7 C14 H14A 109.4 2_666 .
N2 C14 H14B 109.4 . .
C7 C14 H14B 109.4 2_666 .
H14A C14 H14B 108.0 . .
C8 C15 C25 118.48(15) . .
C8 C15 C20 118.27(14) . .
C25 C15 C20 123.20(14) . .
N4 C16 C10 123.35(14) . .
N4 C16 H16 118.3 . .
C10 C16 H16 118.3 . .
N3 C17 C6 123.34(15) . .
N3 C17 H17 118.3 . .
C6 C17 H17 118.3 . .
N4 C18 C19 123.21(14) . .
N4 C18 H18 118.4 . .
C19 C18 H18 118.4 . .
C18 C19 C9 119.21(14) . .
C18 C19 H19 120.4 . .
C9 C19 H19 120.4 . .
C21 C20 C15 109.66(12) . .
C21 C20 H20A 109.7 . .
C15 C20 H20A 109.7 . .
C21 C20 H20B 109.7 . .
C15 C20 H20B 109.7 . .
H20A C20 H20B 108.2 . .
O1 C21 O8 122.74(14) . .
O1 C21 C20 117.44(13) . .
O8 C21 C20 119.77(13) . .
C4 C22 C25 121.10(16) . .
C4 C22 H22 119.4 . .
C25 C22 H22 119.4 . .
O3 C23 O6 122.38(14) . .
O3 C23 C25 118.07(13) . .
O6 C23 C25 119.53(13) . .
O2 C24 N2 122.59(14) . .
O2 C24 C9 118.73(14) . .
N2 C24 C9 118.52(13) . .
C22 C25 C15 119.49(14) . .
C22 C25 C23 117.77(14) . .
C15 C25 C23 122.72(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O6 2.0430(10) .
Co1 O6 2.0430(10) 2_665
Co1 O8 2.1441(10) .
Co1 O8 2.1441(10) 2_665
Co1 N4 2.1471(12) .
Co1 N4 2.1472(12) 2_665
Co2 O7 2.0511(11) 2_755
Co2 O7 2.0512(11) .
Co2 O5 2.1059(11) 2_755
Co2 O5 2.1059(11) .
Co2 N3 2.1621(13) 2_755
Co2 N3 2.1622(13) .
O1 C21 1.2587(18) .
O1W H1WA 0.852(15) .
O1W H1WB 0.855(15) .
O2 C24 1.2373(19) .
O2W H2WA 0.865(16) .
O2W H2WB 0.845(17) .
O3 C23 1.2556(18) .
O3W H3WA 0.846(18) .
O3W H3WB 0.840(17) .
O4 C12 1.227(2) .
O5 H5A 0.846(14) .
O5 H5B 0.837(14) .
O6 C23 1.2604(18) .
O7 H7C 0.844(14) .
O7 H7D 0.853(14) .
O8 C21 1.2600(18) .
N1 C12 1.347(2) .
N1 C1 1.461(2) .
N1 C2 1.461(2) .
N2 C24 1.343(2) .
N2 C14 1.4663(19) .
N2 C7 1.472(2) .
N3 C11 1.341(2) .
N3 C17 1.344(2) .
N4 C16 1.340(2) .
N4 C18 1.3435(19) .
C1 C2 1.514(2) 2_756
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C1 1.514(2) 2_756
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C6 1.388(2) .
C3 C13 1.389(2) .
C3 C12 1.507(2) .
C4 C22 1.384(2) .
C4 C5 1.385(3) .
C4 H4 0.9500 .
C5 C8 1.381(3) .
C5 H5 0.9500 .
C6 C17 1.377(2) .
C6 H6 0.9500 .
C7 C14 1.521(2) 2_666
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C15 1.395(2) .
C8 H8 0.9500 .
C9 C10 1.387(2) .
C9 C19 1.389(2) .
C9 C24 1.506(2) .
C10 C16 1.380(2) .
C10 H10 0.9500 .
C11 C13 1.381(2) .
C11 H11 0.9500 .
C13 H13 0.9500 .
C14 C7 1.521(2) 2_666
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C25 1.399(2) .
C15 C20 1.519(2) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.380(2) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.515(2) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C22 C25 1.394(2) .
C22 H22 0.9500 .
C23 C25 1.504(2) .
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
O1W H1WA O5 0.852(15) 2.106(17) 2.9160(17) 159(2) 1_455
O1W H1WB O3 0.855(15) 1.900(17) 2.7225(17) 161(2) 1_445
O2W H2WA O1W 0.865(16) 1.890(17) 2.746(2) 170(3) .
O2W H2WB O2 0.845(17) 1.995(17) 2.8370(19) 174(3) 1_545
O3W H3WA O2W 0.846(18) 1.94(2) 2.759(2) 161(3) 2_666
O3W H3WB O2 0.840(17) 2.13(2) 2.926(2) 159(3) .
O5 H5A O1 0.846(14) 1.780(14) 2.6168(15) 169.8(18) 1_655
O5 H5B O1 0.837(14) 1.860(15) 2.6780(16) 165.4(18) 2_755
O7 H7C O3 0.844(14) 1.826(15) 2.6627(16) 171.2(18) 1_545
O7 H7D O8 0.853(14) 1.914(14) 2.7635(15) 174.3(18) 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
O6 Co1 O6 C23 111(11) 2_665 .
O8 Co1 O6 C23 -78.03(15) . .
O8 Co1 O6 C23 101.98(15) 2_665 .
N4 Co1 O6 C23 11.69(15) . .
N4 Co1 O6 C23 -168.31(15) 2_665 .
O6 Co1 O8 C21 -9.53(14) . .
O6 Co1 O8 C21 170.47(14) 2_665 .
O8 Co1 O8 C21 109(8) 2_665 .
N4 Co1 O8 C21 -100.48(14) . .
N4 Co1 O8 C21 79.52(14) 2_665 .
O7 Co2 N3 C11 132.25(12) 2_755 .
O7 Co2 N3 C11 -47.75(12) . .
O5 Co2 N3 C11 42.38(12) 2_755 .
O5 Co2 N3 C11 -137.62(12) . .
N3 Co2 N3 C11 -40(18) 2_755 .
O7 Co2 N3 C17 -51.61(12) 2_755 .
O7 Co2 N3 C17 128.39(12) . .
O5 Co2 N3 C17 -141.48(12) 2_755 .
O5 Co2 N3 C17 38.52(12) . .
N3 Co2 N3 C17 136(18) 2_755 .
O6 Co1 N4 C16 45.85(12) . .
O6 Co1 N4 C16 -134.15(12) 2_665 .
O8 Co1 N4 C16 141.85(12) . .
O8 Co1 N4 C16 -38.15(12) 2_665 .
N4 Co1 N4 C16 142(14) 2_665 .
O6 Co1 N4 C18 -124.78(11) . .
O6 Co1 N4 C18 55.22(11) 2_665 .
O8 Co1 N4 C18 -28.78(11) . .
O8 Co1 N4 C18 151.22(11) 2_665 .
N4 Co1 N4 C18 -29(14) 2_665 .
C12 N1 C1 C2 -115.56(17) . 2_756
C2 N1 C1 C2 56.0(2) . 2_756
C12 N1 C2 C1 115.59(18) . 2_756
C1 N1 C2 C1 -55.4(2) . 2_756
C22 C4 C5 C8 1.1(3) . .
C13 C3 C6 C17 -0.4(2) . .
C12 C3 C6 C17 -175.23(15) . .
C24 N2 C7 C14 116.97(16) . 2_666
C14 N2 C7 C14 -55.73(18) . 2_666
C4 C5 C8 C15 -1.7(3) . .
C19 C9 C10 C16 -2.6(2) . .
C24 C9 C10 C16 -176.09(14) . .
C17 N3 C11 C13 0.0(2) . .
Co2 N3 C11 C13 176.24(12) . .
C1 N1 C12 O4 4.5(3) . .
C2 N1 C12 O4 -165.95(17) . .
C1 N1 C12 C3 -172.02(15) . .
C2 N1 C12 C3 17.5(3) . .
C6 C3 C12 O4 55.1(2) . .
C13 C3 C12 O4 -119.55(18) . .
C6 C3 C12 N1 -128.22(17) . .
C13 C3 C12 N1 57.1(2) . .
N3 C11 C13 C3 -0.5(2) . .
C6 C3 C13 C11 0.8(2) . .
C12 C3 C13 C11 175.50(15) . .
C24 N2 C14 C7 -116.39(16) . 2_666
C7 N2 C14 C7 56.75(19) . 2_666
C5 C8 C15 C25 -0.1(2) . .
C5 C8 C15 C20 177.45(15) . .
C18 N4 C16 C10 2.2(2) . .
Co1 N4 C16 C10 -168.64(12) . .
C9 C10 C16 N4 0.6(2) . .
C11 N3 C17 C6 0.4(2) . .
Co2 N3 C17 C6 -175.87(12) . .
C3 C6 C17 N3 -0.2(2) . .
C16 N4 C18 C19 -3.0(2) . .
Co1 N4 C18 C19 168.10(12) . .
N4 C18 C19 C9 1.0(2) . .
C10 C9 C19 C18 1.9(2) . .
C24 C9 C19 C18 175.22(14) . .
C8 C15 C20 C21 70.78(17) . .
C25 C15 C20 C21 -111.81(16) . .
Co1 O8 C21 O1 -172.59(10) . .
Co1 O8 C21 C20 10.2(2) . .
C15 C20 C21 O1 -102.67(16) . .
C15 C20 C21 O8 74.74(17) . .
C5 C4 C22 C25 1.1(2) . .
Co1 O6 C23 O3 -127.55(15) . .
Co1 O6 C23 C25 50.9(2) . .
C14 N2 C24 O2 10.3(2) . .
C7 N2 C24 O2 -161.85(16) . .
C14 N2 C24 C9 -165.01(14) . .
C7 N2 C24 C9 22.9(2) . .
C10 C9 C24 O2 38.7(2) . .
C19 C9 C24 O2 -134.45(17) . .
C10 C9 C24 N2 -145.81(15) . .
C19 C9 C24 N2 41.0(2) . .
C4 C22 C25 C15 -2.9(2) . .
C4 C22 C25 C23 175.69(14) . .
C8 C15 C25 C22 2.3(2) . .
C20 C15 C25 C22 -175.09(14) . .
C8 C15 C25 C23 -176.17(14) . .
C20 C15 C25 C23 6.4(2) . .
O3 C23 C25 C22 34.0(2) . .
O6 C23 C25 C22 -144.60(15) . .
O3 C23 C25 C15 -147.52(15) . .
O6 C23 C25 C15 33.9(2) . .
