#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/23/2222366.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_2222366
loop_
_publ_author_name
'Aghabozorg, Hossein'
'Derikvand, Zohreh'
'Attar Gharamaleki, Jafar'
'Yousefi, Mohammad'
_publ_section_title
;Hydroxonium creatininium
 bis(pyridine-2,6-dicarboxylato-κ³O²,N,O⁶)cobaltate(II)
 trihydrate
;
_journal_coeditor_code           HY2201
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m826
_journal_page_last               m827
_journal_paper_doi               10.1107/S1600536809021837
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'(C4 H8 N3 O) (H3 O) [Co (C7 H3 N O4)2], 3H2 O'
_chemical_formula_moiety
'C4 H8 N3 O +, H3 O +, C14 H6 Co N2 O8, 3(H2 O)'
_chemical_formula_sum            'C18 H23 Co N5 O13'
_chemical_formula_weight         576.34
_chemical_name_systematic
;Hydroxonium creatininium
bis(pyridine-2,6-dicarboxylato-κ³O²,N,O⁶)\
cobaltate(II)
trihydrate
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.811(2)
_cell_angle_beta                 90.267(2)
_cell_angle_gamma                92.4150(10)
_cell_formula_units_Z            2
_cell_length_a                   8.0937(10)
_cell_length_b                   10.7389(13)
_cell_length_c                   13.5976(17)
_cell_measurement_reflns_used    843
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     1141.4(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and Mercury (Macrae et al.,  2006)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'φ and 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  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11652
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.833
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             594
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.446
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5488
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0450
_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)+(0.015P)²+2.6P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0968
_reflns_number_gt                4149
_reflns_number_total             5488
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2201.cif
_cod_data_source_block           I
_cod_database_code               2222366
_cod_database_fobs_code          2222366
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_disorder_assembly
_atom_site_disorder_group
Co Co1 0.26506(4) 0.93000(3) 0.23131(3) 0.01942(10) Uani d . 1 . .
O O1 0.4562(2) 0.78341(18) 0.19033(13) 0.0230(4) Uani d . 1 . .
O O2 0.6104(2) 0.65616(18) 0.25814(14) 0.0252(4) Uani d . 1 . .
O O3 0.0940(2) 1.13617(18) 0.50661(14) 0.0254(4) Uani d . 1 . .
O O4 0.1083(2) 1.04931(18) 0.33852(13) 0.0232(4) Uani d . 1 . .
O O5 0.0722(2) 0.78287(17) 0.16490(13) 0.0220(4) Uani d . 1 . .
O O6 -0.0601(2) 0.69039(18) 0.01715(13) 0.0249(4) Uani d . 1 . .
O O7 0.4810(2) 1.23340(18) 0.13445(13) 0.0238(4) Uani d . 1 . .
O O8 0.4131(2) 1.09779(18) 0.22942(13) 0.0241(4) Uani d . 1 . .
O O9 0.2979(2) 0.47606(19) 0.53766(14) 0.0287(4) Uani d . 1 . .
N N1 0.3283(2) 0.89101(19) 0.36453(15) 0.0161(4) Uani d . 1 . .
N N2 0.2268(2) 0.9517(2) 0.08903(15) 0.0170(4) Uani d . 1 . .
N N3 0.1336(3) 0.5901(2) 0.45644(15) 0.0181(4) Uani d . 1 . .
H H3A 0.0801 0.6346 0.5091 0.022 Uiso calc R 1 . .
N N4 0.2130(3) 0.5206(2) 0.29648(16) 0.0202(4) Uani d . 1 . .
N N5 0.0027(3) 0.6690(2) 0.33142(15) 0.0210(5) Uani d . 1 . .
H H5A -0.0074 0.6703 0.2672 0.025 Uiso calc R 1 . .
H H5B -0.0602 0.7165 0.3776 0.025 Uiso calc R 1 . .
C C1 0.5092(3) 0.7418(2) 0.26371(18) 0.0188(5) Uani d . 1 . .
C C2 0.4403(3) 0.8035(2) 0.36658(19) 0.0180(5) Uani d . 1 . .
C C3 0.4860(3) 0.7762(2) 0.45730(19) 0.0198(5) Uani d . 1 . .
H H3B 0.5660 0.7143 0.4584 0.024 Uiso calc R 1 . .
C C4 0.4112(3) 0.8422(2) 0.54679(19) 0.0203(5) Uani d . 1 . .
H H4A 0.4382 0.8245 0.6098 0.024 Uiso calc R 1 . .
C C5 0.2971(3) 0.9341(2) 0.54291(19) 0.0206(5) Uani d . 1 . .
H H5C 0.2460 0.9807 0.6031 0.025 Uiso calc R 1 . .
C C6 0.2589(3) 0.9566(2) 0.44902(18) 0.0174(5) Uani d . 1 . .
C C7 0.1427(3) 1.0555(2) 0.43192(19) 0.0190(5) Uani d . 1 . .
C C8 0.0403(3) 0.7707(2) 0.07148(18) 0.0191(5) Uani d . 1 . .
C C9 0.1295(3) 0.8660(2) 0.02324(18) 0.0177(5) Uani d . 1 . .
C C10 0.1127(3) 0.8709(3) -0.07723(19) 0.0201(5) Uani d . 1 . .
H H10A 0.0447 0.8087 -0.1240 0.024 Uiso calc R 1 . .
C C11 0.1983(3) 0.9690(3) -0.10736(19) 0.0222(5) Uani d . 1 . .
H H11A 0.1896 0.9743 -0.1759 0.027 Uiso calc R 1 . .
C C12 0.2966(3) 1.0597(3) -0.03808(19) 0.0200(5) Uani d . 1 . .
H H12A 0.3538 1.1283 -0.0578 0.024 Uiso calc R 1 . .
C C13 0.3090(3) 1.0472(2) 0.06107(19) 0.0180(5) Uani d . 1 . .
C C14 0.4103(3) 1.1339(2) 0.14799(19) 0.0199(5) Uani d . 1 . .
C C15 0.1105(3) 0.5968(2) 0.35806(18) 0.0182(5) Uani d . 1 . .
C C16 0.3147(3) 0.4547(3) 0.35453(19) 0.0221(5) Uani d . 1 . .
H H16A 0.4336 0.4783 0.3505 0.027 Uiso calc R 1 . .
H H16B 0.2976 0.3599 0.3303 0.027 Uiso calc R 1 . .
C C17 0.2520(3) 0.5040(3) 0.4611(2) 0.0213(5) Uani d . 1 . .
C C18 0.2037(4) 0.4869(3) 0.18563(19) 0.0279(6) Uani d . 1 . .
H H18A 0.2195 0.5652 0.1617 0.042 Uiso calc R 1 . .
H H18B 0.0951 0.4457 0.1627 0.042 Uiso calc R 1 . .
H H18C 0.2903 0.4272 0.1580 0.042 Uiso calc R 1 . .
O O1W -0.0036(2) 0.29618(18) 0.36045(14) 0.0249(4) Uani d . 1 . .
H H1 0.0162 0.2166 0.3476 0.037 Uiso d R 1 . .
H H2 -0.0856 0.3008 0.3225 0.037 Uiso d R 1 . .
O O2W 0.7786(2) 0.55028(19) 0.10484(14) 0.0293(4) Uani d . 1 . .
H H3 0.7269 0.4912 0.0603 0.044 Uiso d R 1 . .
H H4 0.8232 0.6010 0.0728 0.044 Uiso d R 1 . .
H H5 0.7115 0.5907 0.1481 0.044 Uiso d R 1 . .
O O3W 0.7461(3) 0.3583(2) 0.25576(16) 0.0362(5) Uani d . 1 . .
H H6 0.6588 0.3236 0.2235 0.054 Uiso d R 1 . .
H H7 0.7240 0.4284 0.2983 0.054 Uiso d R 1 . .
O O4W 0.3941(3) 0.6406(2) -0.00313(15) 0.0468(7) Uani d . 1 . .
H H8 0.4336 0.6891 -0.0386 0.070 Uiso d R 1 . .
H H9 0.4122 0.6782 0.0592 0.070 Uiso d R 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
_geom_angle_publ_flag
N1 Co1 N2 . . 171.90(8) ?
N1 Co1 O8 . . 104.11(7) ?
N2 Co1 O8 . . 76.44(7) ?
N1 Co1 O4 . . 77.02(8) ?
N2 Co1 O4 . . 111.08(8) ?
O8 Co1 O4 . . 88.59(7) ?
N1 Co1 O5 . . 104.55(7) ?
N2 Co1 O5 . . 75.49(7) ?
O8 Co1 O5 . . 151.26(7) ?
O4 Co1 O5 . . 95.77(7) ?
N1 Co1 O1 . . 75.10(7) ?
N2 Co1 O1 . . 96.82(7) ?
O8 Co1 O1 . . 99.21(7) ?
O4 Co1 O1 . . 152.09(7) ?
O5 Co1 O1 . . 90.12(7) ?
C1 O1 Co1 . . 115.11(16) ?
C7 O4 Co1 . . 114.49(16) ?
C8 O5 Co1 . . 115.09(16) ?
C14 O8 Co1 . . 116.51(16) ?
C6 N1 C2 . . 121.3(2) ?
C6 N1 Co1 . . 118.26(17) ?
C2 N1 Co1 . . 120.43(16) ?
C9 N2 C13 . . 121.1(2) ?
C9 N2 Co1 . . 119.81(16) ?
C13 N2 Co1 . . 118.89(16) ?
C15 N3 C17 . . 110.3(2) ?
C15 N3 H3A . . 124.8 ?
C17 N3 H3A . . 124.8 ?
C15 N4 C18 . . 125.2(2) ?
C15 N4 C16 . . 110.1(2) ?
C18 N4 C16 . . 123.7(2) ?
C15 N5 H5A . . 120.0 ?
C15 N5 H5B . . 120.0 ?
H5A N5 H5B . . 120.0 ?
O2 C1 O1 . . 126.4(2) ?
O2 C1 C2 . . 118.0(2) ?
O1 C1 C2 . . 115.6(2) ?
N1 C2 C3 . . 121.2(2) ?
N1 C2 C1 . . 113.7(2) ?
C3 C2 C1 . . 125.1(2) ?
C2 C3 C4 . . 118.3(2) ?
C2 C3 H3B . . 120.9 ?
C4 C3 H3B . . 120.9 ?
C5 C4 C3 . . 119.4(2) ?
C5 C4 H4A . . 120.3 ?
C3 C4 H4A . . 120.3 ?
C4 C5 C6 . . 118.7(2) ?
C4 C5 H5C . . 120.6 ?
C6 C5 H5C . . 120.6 ?
N1 C6 C5 . . 121.0(2) ?
N1 C6 C7 . . 113.5(2) ?
C5 C6 C7 . . 125.5(2) ?
O3 C7 O4 . . 126.1(2) ?
O3 C7 C6 . . 118.5(2) ?
O4 C7 C6 . . 115.4(2) ?
O6 C8 O5 . . 126.3(2) ?
O6 C8 C9 . . 117.6(2) ?
O5 C8 C9 . . 116.1(2) ?
N2 C9 C10 . . 121.4(2) ?
N2 C9 C8 . . 112.8(2) ?
C10 C9 C8 . . 125.8(2) ?
C11 C10 C9 . . 118.0(2) ?
C11 C10 H10A . . 121.0 ?
C9 C10 H10A . . 121.0 ?
C10 C11 C12 . . 120.4(2) ?
C10 C11 H11A . . 119.8 ?
C12 C11 H11A . . 119.8 ?
C11 C12 C13 . . 118.1(2) ?
C11 C12 H12A . . 121.0 ?
C13 C12 H12A . . 121.0 ?
N2 C13 C12 . . 120.9(2) ?
N2 C13 C14 . . 112.3(2) ?
C12 C13 C14 . . 126.8(2) ?
O7 C14 O8 . . 125.7(2) ?
O7 C14 C13 . . 118.6(2) ?
O8 C14 C13 . . 115.6(2) ?
N5 C15 N4 . . 126.3(2) ?
N5 C15 N3 . . 123.3(2) ?
N4 C15 N3 . . 110.4(2) ?
N4 C16 C17 . . 102.3(2) ?
N4 C16 H16A . . 111.3 ?
C17 C16 H16A . . 111.3 ?
N4 C16 H16B . . 111.3 ?
C17 C16 H16B . . 111.3 ?
H16A C16 H16B . . 109.2 ?
O9 C17 N3 . . 125.7(2) ?
O9 C17 C16 . . 127.5(2) ?
N3 C17 C16 . . 106.8(2) ?
N4 C18 H18A . . 109.5 ?
N4 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
N4 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
H1 O1W H2 . . 105.5 ?
H3 O2W H4 . . 106.0 ?
H3 O2W H5 . . 110.2 ?
H4 O2W H5 . . 109.9 ?
H6 O3W H7 . . 110.0 ?
H8 O4W H9 . . 108.1 ?
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
Co1 N1 . 2.029(2) y
Co1 N2 . 2.031(2) y
Co1 O8 . 2.1273(18) y
Co1 O4 . 2.1389(18) y
Co1 O5 . 2.1904(18) y
Co1 O1 . 2.2239(19) y
O1 C1 . 1.273(3) ?
O2 C1 . 1.245(3) ?
O3 C7 . 1.233(3) ?
O4 C7 . 1.283(3) ?
O5 C8 . 1.268(3) ?
O6 C8 . 1.249(3) ?
O7 C14 . 1.247(3) ?
O8 C14 . 1.263(3) ?
O9 C17 . 1.215(3) ?
N1 C6 . 1.325(3) ?
N1 C2 . 1.338(3) ?
N2 C9 . 1.334(3) ?
N2 C13 . 1.335(3) ?
N3 C15 . 1.370(3) ?
N3 C17 . 1.371(3) ?
N3 H3A . 0.8800 ?
N4 C15 . 1.331(3) ?
N4 C18 . 1.458(3) ?
N4 C16 . 1.459(3) ?
N5 C15 . 1.301(3) ?
N5 H5A . 0.8800 ?
N5 H5B . 0.8800 ?
C1 C2 . 1.507(3) ?
C2 C3 . 1.391(3) ?
C3 C4 . 1.397(4) ?
C3 H3B . 0.9500 ?
C4 C5 . 1.390(4) ?
C4 H4A . 0.9500 ?
C5 C6 . 1.394(3) ?
C5 H5C . 0.9500 ?
C6 C7 . 1.509(3) ?
C8 C9 . 1.511(3) ?
C9 C10 . 1.387(3) ?
C10 C11 . 1.386(4) ?
C10 H10A . 0.9500 ?
C11 C12 . 1.388(4) ?
C11 H11A . 0.9500 ?
C12 C13 . 1.392(3) ?
C12 H12A . 0.9500 ?
C13 C14 . 1.516(3) ?
C16 C17 . 1.509(4) ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C18 H18A . 0.9800 ?
C18 H18B . 0.9800 ?
C18 H18C . 0.9800 ?
O1W H1 . 0.8500 ?
O1W H2 . 0.8500 ?
O2W H3 . 0.8500 ?
O2W H4 . 0.8500 ?
O2W H5 . 0.8500 ?
O3W H6 . 0.8500 ?
O3W H7 . 0.8500 ?
O4W H8 . 0.8500 ?
O4W H9 . 0.8500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N3 H3A O1W 2_566 0.88 1.859 2.716(3) 164 y
N5 H5A O5 1_555 0.88 2.148 2.882(3) 141 y
N5 H5B O3 2_576 0.88 1.956 2.764(3) 152 y
O1W H1 O4 1_545 0.85 1.949 2.782(3) 166 y
O1W H2 O3W 1_455 0.85 1.845 2.673(3) 164 y
O2W H3 O4W 2_665 0.85 1.697 2.522(3) 163 y
O2W H4 O6 1_655 0.85 1.640 2.481(3) 170 y
O2W H5 O2 1_555 0.85 1.710 2.537(3) 164 y
O3W H6 O7 1_545 0.85 1.934 2.778(3) 172 y
O3W H7 O9 2_666 0.85 2.216 2.948(3) 144 y
O4W H8 O7 2_675 0.85 1.840 2.680(3) 169 y
O4W H9 O1 1_555 0.85 1.874 2.718(3) 172 y
C3 H3B O9 2_666 0.95 2.37 3.301(3) 165 y
C4 H4A O8 2_676 0.95 2.43 3.252(3) 145 y
C18 H18C O7 1_545 0.98 2.60 3.535(4) 160 y
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_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Co1 O1 C1 . . . . 2.34(17) ?
N2 Co1 O1 C1 . . . . -178.09(18) ?
O8 Co1 O1 C1 . . . . 104.61(18) ?
O4 Co1 O1 C1 . . . . 0.0(3) ?
O5 Co1 O1 C1 . . . . -102.69(18) ?
N1 Co1 O4 C7 . . . . 9.68(17) ?
N2 Co1 O4 C7 . . . . -170.03(17) ?
O8 Co1 O4 C7 . . . . -95.15(17) ?
O5 Co1 O4 C7 . . . . 113.32(17) ?
O1 Co1 O4 C7 . . . . 12.1(3) ?
N1 Co1 O5 C8 . . . . -164.94(17) ?
N2 Co1 O5 C8 . . . . 6.69(17) ?
O8 Co1 O5 C8 . . . . 19.4(3) ?
O4 Co1 O5 C8 . . . . 117.01(18) ?
O1 Co1 O5 C8 . . . . -90.32(18) ?
N1 Co1 O8 C14 . . . . 172.30(18) ?
N2 Co1 O8 C14 . . . . 0.63(18) ?
O4 Co1 O8 C14 . . . . -111.46(19) ?
O5 Co1 O8 C14 . . . . -12.0(3) ?
O1 Co1 O8 C14 . . . . 95.48(19) ?
O8 Co1 N1 C6 . . . . 81.22(18) ?
O4 Co1 N1 C6 . . . . -3.96(17) ?
O5 Co1 N1 C6 . . . . -96.65(18) ?
O1 Co1 N1 C6 . . . . 177.18(19) ?
O8 Co1 N1 C2 . . . . -97.19(19) ?
O4 Co1 N1 C2 . . . . 177.62(19) ?
O5 Co1 N1 C2 . . . . 84.94(19) ?
O1 Co1 N1 C2 . . . . -1.23(17) ?
O8 Co1 N2 C9 . . . . 178.3(2) ?
O4 Co1 N2 C9 . . . . -98.58(19) ?
O5 Co1 N2 C9 . . . . -7.92(18) ?
O1 Co1 N2 C9 . . . . 80.44(19) ?
O8 Co1 N2 C13 . . . . 2.82(17) ?
O4 Co1 N2 C13 . . . . 85.92(19) ?
O5 Co1 N2 C13 . . . . 176.59(19) ?
O1 Co1 N2 C13 . . . . -95.06(18) ?
Co1 O1 C1 O2 . . . . 176.8(2) ?
Co1 O1 C1 C2 . . . . -3.0(3) ?
C6 N1 C2 C3 . . . . 1.2(4) ?
Co1 N1 C2 C3 . . . . 179.52(18) ?
C6 N1 C2 C1 . . . . -178.2(2) ?
Co1 N1 C2 C1 . . . . 0.2(3) ?
O2 C1 C2 N1 . . . . -177.8(2) ?
O1 C1 C2 N1 . . . . 2.0(3) ?
O2 C1 C2 C3 . . . . 2.9(4) ?
O1 C1 C2 C3 . . . . -177.4(2) ?
N1 C2 C3 C4 . . . . 0.4(4) ?
C1 C2 C3 C4 . . . . 179.6(2) ?
C2 C3 C4 C5 . . . . -1.3(4) ?
C3 C4 C5 C6 . . . . 0.8(4) ?
C2 N1 C6 C5 . . . . -1.7(4) ?
Co1 N1 C6 C5 . . . . 179.89(18) ?
C2 N1 C6 C7 . . . . 177.0(2) ?
Co1 N1 C6 C7 . . . . -1.4(3) ?
C4 C5 C6 N1 . . . . 0.7(4) ?
C4 C5 C6 C7 . . . . -177.8(2) ?
Co1 O4 C7 O3 . . . . 164.3(2) ?
Co1 O4 C7 C6 . . . . -13.2(3) ?
N1 C6 C7 O3 . . . . -167.8(2) ?
C5 C6 C7 O3 . . . . 10.9(4) ?
N1 C6 C7 O4 . . . . 10.0(3) ?
C5 C6 C7 O4 . . . . -171.4(2) ?
Co1 O5 C8 O6 . . . . 177.3(2) ?
Co1 O5 C8 C9 . . . . -4.7(3) ?
C13 N2 C9 C10 . . . . 1.5(4) ?
Co1 N2 C9 C10 . . . . -173.89(18) ?
C13 N2 C9 C8 . . . . -176.7(2) ?
Co1 N2 C9 C8 . . . . 7.9(3) ?
O6 C8 C9 N2 . . . . 176.6(2) ?
O5 C8 C9 N2 . . . . -1.6(3) ?
O6 C8 C9 C10 . . . . -1.5(4) ?
O5 C8 C9 C10 . . . . -179.7(2) ?
N2 C9 C10 C11 . . . . -1.1(4) ?
C8 C9 C10 C11 . . . . 176.9(2) ?
C9 C10 C11 C12 . . . . -0.4(4) ?
C10 C11 C12 C13 . . . . 1.3(4) ?
C9 N2 C13 C12 . . . . -0.5(4) ?
Co1 N2 C13 C12 . . . . 174.95(18) ?
C9 N2 C13 C14 . . . . 179.3(2) ?
Co1 N2 C13 C14 . . . . -5.2(3) ?
C11 C12 C13 N2 . . . . -0.9(4) ?
C11 C12 C13 C14 . . . . 179.3(2) ?
Co1 O8 C14 O7 . . . . 175.7(2) ?
Co1 O8 C14 C13 . . . . -3.5(3) ?
N2 C13 C14 O7 . . . . -173.6(2) ?
C12 C13 C14 O7 . . . . 6.2(4) ?
N2 C13 C14 O8 . . . . 5.6(3) ?
C12 C13 C14 O8 . . . . -174.6(2) ?
C18 N4 C15 N5 . . . . -11.3(4) ?
C16 N4 C15 N5 . . . . -179.8(2) ?
C18 N4 C15 N3 . . . . 168.9(2) ?
C16 N4 C15 N3 . . . . 0.4(3) ?
C17 N3 C15 N5 . . . . 178.5(2) ?
C17 N3 C15 N4 . . . . -1.7(3) ?
C15 N4 C16 C17 . . . . 0.9(3) ?
C18 N4 C16 C17 . . . . -167.8(2) ?
C15 N3 C17 O9 . . . . -179.0(3) ?
C15 N3 C17 C16 . . . . 2.2(3) ?
N4 C16 C17 O9 . . . . 179.4(3) ?
N4 C16 C17 N3 . . . . -1.8(3) ?
