#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/69/2216910.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_2216910
loop_
_publ_author_name
'Aghabozorg, Hossein'
'Attar Gharamaleki, Jafar'
'Daneshvar, Shirin'
'Ghadermazi, Mohammad'
'Khavasi, Hamid Reza'
_publ_section_title
;
 Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexaaquacobalt(II)
 bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] tetrahydrate
;
_journal_coeditor_code           BI2263
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m187
_journal_page_last               m188
_journal_paper_doi               10.1107/S1600536807066032
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'(C3 H7 N6)2 [Co(H2 O)6] [Co (C7 H3 N O4)2]2 , 4H2 O'
_chemical_formula_moiety
'2C3 H7 N6 + , H12 Co1 O6 2+ , 2C14 H6 Co1 N2 O8 2+ , 4H2 O'
_chemical_formula_sum            'C34 H46 Co3 N16 O26'
_chemical_formula_weight         1271.66
_chemical_name_systematic
;
Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexaaquacobalt(II)
bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] tetrahydrate
;
_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                95.901(6)
_cell_angle_beta                 106.017(5)
_cell_angle_gamma                107.133(5)
_cell_formula_units_Z            1
_cell_length_a                   8.4003(6)
_cell_length_b                   11.3014(7)
_cell_length_c                   13.8794(10)
_cell_measurement_reflns_used    2500
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.16
_cell_measurement_theta_min      1.92
_cell_volume                     1185.73(15)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Stoe IPDSII'
_diffrn_measurement_method       φ
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0154
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14236
_diffrn_reflns_theta_full        29.16
_diffrn_reflns_theta_max         29.16
_diffrn_reflns_theta_min         1.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_T_max  0.595
_exptl_absorpt_correction_T_min  0.570
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE; Stoe & Cie, 2004)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             651
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.45
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.895
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0323P)²+1.0178P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0710
_reflns_number_gt                6111
_reflns_number_total             6289
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bi2263.cif
_cod_data_source_block           I
_cod_original_cell_volume        1185.73(14)
_cod_database_code               2216910
_cod_database_fobs_code          2216910
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
C C1 0.09807(17) 0.59767(12) 0.39201(10) 0.0120(2) Uani d . 1
C C2 0.19794(16) 0.52881(12) 0.46046(9) 0.0100(2) Uani d . 1
C C3 0.26752(17) 0.56041(12) 0.56675(10) 0.0120(2) Uani d . 1
H H3A 0.2520 0.6273 0.6035 0.014 Uiso calc R 1
C C4 0.36138(17) 0.48851(12) 0.61643(10) 0.0123(2) Uani d . 1
H H4 0.4087 0.5068 0.6874 0.015 Uiso calc R 1
C C5 0.38413(17) 0.38926(12) 0.55950(10) 0.0110(2) Uani d . 1
H H5A 0.4481 0.3416 0.5917 0.013 Uiso calc R 1
C C6 0.30917(16) 0.36313(11) 0.45369(9) 0.0092(2) Uani d . 1
C C7 0.32416(16) 0.26121(11) 0.37973(10) 0.0099(2) Uani d . 1
C C8 -0.23329(17) 0.17773(12) 0.16471(10) 0.0110(2) Uani d . 1
C C9 -0.17660(16) 0.21879(12) 0.07477(10) 0.0102(2) Uani d . 1
C C10 -0.26571(17) 0.16132(12) -0.02722(10) 0.0118(2) Uani d . 1
H H10A -0.3694 0.0926 -0.0460 0.014 Uiso calc R 1
C C11 -0.19517(17) 0.20971(12) -0.10097(10) 0.0125(2) Uani d . 1
H H11A -0.2524 0.1736 -0.1700 0.015 Uiso calc R 1
C C12 -0.03839(17) 0.31260(12) -0.07062(10) 0.0118(2) Uani d . 1
H H12A 0.0096 0.3464 -0.1188 0.014 Uiso calc R 1
C C13 0.04411(16) 0.36325(11) 0.03343(9) 0.0096(2) Uani d . 1
C C14 0.21779(16) 0.47113(12) 0.08186(10) 0.0102(2) Uani d . 1
C C15 0.34004(16) 0.22483(12) 0.01662(10) 0.0102(2) Uani d . 1
C C16 0.12106(17) 0.07415(12) -0.11206(10) 0.0112(2) Uani d . 1
C C17 0.33515(17) 0.21334(12) -0.15514(10) 0.0111(2) Uani d . 1
N N1 0.21838(14) 0.43202(10) 0.40734(8) 0.00895(19) Uani d . 1
N N2 -0.02564(14) 0.31650(10) 0.10290(8) 0.00952(19) Uani d . 1
N N3 0.41635(16) 0.28384(11) 0.11324(9) 0.0126(2) Uani d . 1
H H3B 0.504(3) 0.349(2) 0.1304(17) 0.027(5) Uiso d . 1
H H3C 0.370(3) 0.258(2) 0.1568(17) 0.021(5) Uiso d . 1
N N4 0.19481(15) 0.12353(10) -0.01054(8) 0.0114(2) Uani d . 1
N N5 -0.02803(16) -0.02294(11) -0.14102(9) 0.0145(2) Uani d . 1
H H5B -0.079(3) -0.057(2) -0.2023(19) 0.029(6) Uiso d . 1
H H5C -0.073(3) -0.049(2) -0.0984(18) 0.025(5) Uiso d . 1
N N6 0.18535(15) 0.11571(11) -0.18643(8) 0.0118(2) Uani d . 1
N N7 0.41327(17) 0.25597(11) -0.22155(9) 0.0142(2) Uani d . 1
H H7A 0.369(3) 0.218(2) -0.2810(17) 0.022(5) Uiso d . 1
H H7B 0.497(3) 0.320(2) -0.2040(17) 0.022(5) Uiso d . 1
N N8 0.41245(15) 0.27160(11) -0.05467(8) 0.0113(2) Uani d . 1
H H8 0.504(3) 0.337(2) -0.0403(19) 0.034(6) Uiso d . 1
O O1 0.04288(13) 0.54960(9) 0.29686(7) 0.01419(18) Uani d . 1
O O2 0.07887(16) 0.69381(10) 0.43161(8) 0.0199(2) Uani d . 1
O O3 0.26322(13) 0.26350(9) 0.28504(7) 0.01189(17) Uani d . 1
O O4 0.39502(13) 0.18586(9) 0.41537(8) 0.01399(18) Uani d . 1
O O5 -0.12884(13) 0.24112(9) 0.25325(7) 0.01391(18) Uani d . 1
O O6 -0.37131(13) 0.08811(10) 0.14719(8) 0.01572(19) Uani d . 1
O O7 0.27238(12) 0.50218(9) 0.17825(7) 0.01198(17) Uani d . 1
O O8 0.29441(13) 0.52186(9) 0.02292(7) 0.01449(18) Uani d . 1
O O9 0.04230(14) -0.08822(10) 0.37722(8) 0.01480(19) Uani d . 1
H H9A -0.024(4) -0.097(3) 0.322(2) 0.043(7) Uiso d . 1
H H9B 0.053(3) -0.162(3) 0.381(2) 0.043(7) Uiso d . 1
O O10 -0.27658(13) -0.08879(9) 0.43229(8) 0.01282(18) Uani d . 1
H H10B -0.331(3) -0.047(2) 0.404(2) 0.035(6) Uiso d . 1
H H10C -0.321(3) -0.116(2) 0.4736(19) 0.032(6) Uiso d . 1
O O11 -0.02330(13) 0.15266(9) 0.42733(8) 0.01306(18) Uani d . 1
H H11B -0.071(3) 0.158(2) 0.370(2) 0.033(6) Uiso d . 1
H H11C -0.044(3) 0.207(2) 0.4624(18) 0.028(6) Uiso d . 1
O O12 -0.47942(15) 0.01920(11) 0.31460(9) 0.0196(2) Uani d . 1
H H12B -0.512(3) 0.069(2) 0.340(2) 0.036(6) Uiso d . 1
H H12C -0.443(3) 0.048(2) 0.268(2) 0.033(6) Uiso d . 1
O O13 0.29453(14) 0.49240(11) -0.16999(8) 0.0180(2) Uani d . 1
H H13A 0.205(4) 0.480(2) -0.210(2) 0.039(7) Uiso d . 1
H H13B 0.277(3) 0.488(2) -0.115(2) 0.037(6) Uiso d . 1
Co Co1 0.10510(2) 0.385862(16) 0.253625(12) 0.00886(5) Uani d . 1
Co Co2 0.0000 0.0000 0.5000 0.01165(6) Uani d S 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'
Cl Cl 0.1484 0.1585 '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
O2 C1 O1 . . 126.05(12)
O2 C1 C2 . . 118.92(12)
O1 C1 C2 . . 115.03(11)
N1 C2 C3 . . 121.29(12)
N1 C2 C1 . . 112.54(11)
C3 C2 C1 . . 126.15(11)
C2 C3 C4 . . 117.93(12)
C2 C3 H3A . . 121.0
C4 C3 H3A . . 121.0
C5 C4 C3 . . 119.94(12)
C5 C4 H4 . . 120.0
C3 C4 H4 . . 120.0
C6 C5 C4 . . 118.55(12)
C6 C5 H5A . . 120.7
C4 C5 H5A . . 120.7
N1 C6 C5 . . 120.80(11)
N1 C6 C7 . . 113.45(11)
C5 C6 C7 . . 125.72(11)
O4 C7 O3 . . 126.28(12)
O4 C7 C6 . . 118.49(11)
O3 C7 C6 . . 115.22(11)
O6 C8 O5 . . 126.18(12)
O6 C8 C9 . . 118.67(11)
O5 C8 C9 . . 115.14(11)
N2 C9 C10 . . 121.47(12)
N2 C9 C8 . . 113.40(11)
C10 C9 C8 . . 125.11(11)
C9 C10 C11 . . 118.14(12)
C9 C10 H10A . . 120.9
C11 C10 H10A . . 120.9
C12 C11 C10 . . 119.79(12)
C12 C11 H11A . . 120.1
C10 C11 H11A . . 120.1
C13 C12 C11 . . 118.36(12)
C13 C12 H12A . . 120.8
C11 C12 H12A . . 120.8
N2 C13 C12 . . 121.12(11)
N2 C13 C14 . . 112.50(11)
C12 C13 C14 . . 126.37(11)
O8 C14 O7 . . 125.66(12)
O8 C14 C13 . . 117.54(11)
O7 C14 C13 . . 116.80(11)
N3 C15 N4 . . 120.51(12)
N3 C15 N8 . . 118.32(12)
N4 C15 N8 . . 121.16(11)
N5 C16 N4 . . 116.86(12)
N5 C16 N6 . . 117.28(12)
N4 C16 N6 . . 125.86(12)
N7 C17 N6 . . 120.34(12)
N7 C17 N8 . . 118.30(12)
N6 C17 N8 . . 121.36(12)
C6 N1 C2 . . 121.47(11)
C6 N1 Co1 . . 119.06(8)
C2 N1 Co1 . . 119.45(9)
C13 N2 C9 . . 121.11(11)
C13 N2 Co1 . . 119.93(9)
C9 N2 Co1 . . 118.84(9)
C15 N3 H3B . . 121.1(16)
C15 N3 H3C . . 118.9(14)
H3B N3 H3C . . 120(2)
C15 N4 C16 . . 115.97(11)
C16 N5 H5B . . 121.4(16)
C16 N5 H5C . . 120.0(16)
H5B N5 H5C . . 119(2)
C17 N6 C16 . . 115.98(11)
C17 N7 H7A . . 117.6(15)
C17 N7 H7B . . 120.4(15)
H7A N7 H7B . . 122(2)
C17 N8 C15 . . 119.54(11)
C17 N8 H8 . . 116.7(16)
C15 N8 H8 . . 123.8(16)
C1 O1 Co1 . . 116.52(8)
C7 O3 Co1 . . 114.43(8)
C8 O5 Co1 . . 115.52(8)
C14 O7 Co1 . . 114.48(8)
Co2 O9 H9A . . 119(2)
Co2 O9 H9B . . 116.3(18)
H9A O9 H9B . . 105(3)
Co2 O10 H10B . . 117.2(18)
Co2 O10 H10C . . 111.2(17)
H10B O10 H10C . . 107(2)
Co2 O11 H11B . . 134.2(18)
Co2 O11 H11C . . 113.0(16)
H11B O11 H11C . . 102(2)
H12B O12 H12C . . 108(2)
H13A O13 H13B . . 107(3)
N2 Co1 N1 . . 172.24(4)
N2 Co1 O1 . . 107.89(4)
N1 Co1 O1 . . 76.33(4)
N2 Co1 O5 . . 76.99(4)
N1 Co1 O5 . . 96.02(4)
O1 Co1 O5 . . 99.47(4)
N2 Co1 O3 . . 100.34(4)
N1 Co1 O3 . . 76.35(4)
O1 Co1 O3 . . 151.15(4)
O5 Co1 O3 . . 92.44(4)
N2 Co1 O7 . . 76.19(4)
N1 Co1 O7 . . 110.86(4)
O1 Co1 O7 . . 87.05(4)
O5 Co1 O7 . . 153.11(4)
O3 Co1 O7 . . 94.11(4)
O9 Co2 O9 . 2_556 180.0000(10)
O9 Co2 O11 . 2_556 88.64(4)
O9 Co2 O11 2_556 2_556 91.36(4)
O9 Co2 O11 . . 91.36(4)
O9 Co2 O11 2_556 . 88.64(4)
O11 Co2 O11 2_556 . 180.0
O9 Co2 O10 . 2_556 89.04(4)
O9 Co2 O10 2_556 2_556 90.96(4)
O11 Co2 O10 2_556 2_556 87.97(4)
O11 Co2 O10 . 2_556 92.03(4)
O9 Co2 O10 . . 90.96(4)
O9 Co2 O10 2_556 . 89.04(4)
O11 Co2 O10 2_556 . 92.03(4)
O11 Co2 O10 . . 87.97(4)
O10 Co2 O10 2_556 . 180.00(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 O2 . 1.2401(16)
C1 O1 . 1.2729(16)
C1 C2 . 1.5195(17)
C2 N1 . 1.3358(16)
C2 C3 . 1.3922(17)
C3 C4 . 1.3965(18)
C3 H3A . 0.930
C4 C5 . 1.3952(18)
C4 H4 . 0.930
C5 C6 . 1.3898(17)
C5 H5A . 0.930
C6 N1 . 1.3356(16)
C6 C7 . 1.5199(17)
C7 O4 . 1.2438(16)
C7 O3 . 1.2781(15)
C8 O6 . 1.2373(16)
C8 O5 . 1.2833(16)
C8 C9 . 1.5223(17)
C9 N2 . 1.3391(16)
C9 C10 . 1.3877(17)
C10 C11 . 1.3989(18)
C10 H10A . 0.930
C11 C12 . 1.3982(18)
C11 H11A . 0.930
C12 C13 . 1.3920(17)
C12 H12A . 0.930
C13 N2 . 1.3364(16)
C13 C14 . 1.5196(17)
C14 O8 . 1.2576(15)
C14 O7 . 1.2624(15)
C15 N3 . 1.3205(17)
C15 N4 . 1.3324(16)
C15 N8 . 1.3706(16)
C16 N5 . 1.3251(17)
C16 N4 . 1.3541(16)
C16 N6 . 1.3548(16)
C17 N7 . 1.3232(17)
C17 N6 . 1.3310(17)
C17 N8 . 1.3636(16)
N1 Co1 . 2.0218(11)
N2 Co1 . 2.0211(11)
N3 H3B . 0.83(2)
N3 H3C . 0.84(2)
N5 H5B . 0.83(2)
N5 H5C . 0.82(2)
N7 H7A . 0.82(2)
N7 H7B . 0.81(2)
N8 H8 . 0.86(3)
O1 Co1 . 2.1383(10)
O3 Co1 . 2.1802(10)
O5 Co1 . 2.1532(10)
O7 Co1 . 2.1916(9)
O9 Co2 . 2.0538(10)
O9 H9A . 0.79(3)
O9 H9B . 0.87(3)
O10 Co2 . 2.1250(10)
O10 H10B . 0.81(3)
O10 H10C . 0.81(3)
O11 Co2 . 2.1166(10)
O11 H11B . 0.81(3)
O11 H11C . 0.83(3)
O12 H12B . 0.79(3)
O12 H12C . 0.85(3)
O13 H13A . 0.77(3)
O13 H13B . 0.83(3)
Co2 O9 2_556 2.0538(10)
Co2 O11 2_556 2.1166(10)
Co2 O10 2_556 2.1250(10)
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
N3 H3B O13 2_665 0.83(2) 1.97(2) 2.7982(18) 178(3)
N3 H3C O3 . 0.84(2) 2.21(2) 3.0041(17) 159(2)
N5 H5B O3 2_555 0.83(2) 2.35(2) 2.9713(16) 133(2)
N5 H5C N4 2_555 0.82(2) 2.16(2) 2.9765(17) 178(3)
N7 H7A O10 2_555 0.82(2) 2.22(2) 3.0291(16) 169(2)
N7 H7B O7 2_665 0.80(2) 2.26(2) 3.0560(17) 172(2)
N8 H8 O8 2_665 0.85(2) 1.89(2) 2.7404(17) 174(2)
O9 H9A N6 2_555 0.79(3) 1.94(3) 2.7298(16) 179(4)
O9 H9B O2 1_545 0.87(3) 1.89(3) 2.7263(16) 162(3)
O10 H10B O12 . 0.81(2) 1.88(3) 2.6759(17) 167(3)
O10 H10C O4 2_556 0.81(2) 1.97(2) 2.7675(15) 171(3)
O11 H11B O5 . 0.80(3) 1.97(2) 2.7313(14) 157(2)
O11 H11C O2 2_566 0.83(2) 1.90(2) 2.7101(16) 165(2)
O12 H12B O4 1_455 0.79(3) 2.06(3) 2.8389(17) 174(2)
O12 H12C O6 . 0.84(3) 1.98(3) 2.8196(16) 171(2)
O13 H13A O1 2_565 0.77(3) 2.01(3) 2.7642(16) 171(3)
O13 H13B O8 . 0.82(3) 1.87(3) 2.6642(14) 163(2)
C4 H4 O13 1_556 0.93 2.43 3.164(2) 136
C10 H10A O6 2_455 0.93 2.45 3.344(2) 162
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
O2 C1 C2 N1 -175.99(12)
O1 C1 C2 N1 3.28(16)
O2 C1 C2 C3 2.4(2)
O1 C1 C2 C3 -178.33(12)
N1 C2 C3 C4 0.67(19)
C1 C2 C3 C4 -177.60(12)
C2 C3 C4 C5 0.53(19)
C3 C4 C5 C6 -1.09(18)
C4 C5 C6 N1 0.48(18)
C4 C5 C6 C7 178.42(11)
N1 C6 C7 O4 -174.80(11)
C5 C6 C7 O4 7.12(19)
N1 C6 C7 O3 6.23(15)
C5 C6 C7 O3 -171.84(12)
O6 C8 C9 N2 179.96(12)
O5 C8 C9 N2 -0.58(16)
O6 C8 C9 C10 -1.74(19)
O5 C8 C9 C10 177.73(12)
N2 C9 C10 C11 -1.12(19)
C8 C9 C10 C11 -179.30(12)
C9 C10 C11 C12 0.45(19)
C10 C11 C12 C13 0.63(19)
C11 C12 C13 N2 -1.12(19)
C11 C12 C13 C14 177.53(12)
N2 C13 C14 O8 -179.98(11)
C12 C13 C14 O8 1.28(19)
N2 C13 C14 O7 -0.13(16)
C12 C13 C14 O7 -178.88(12)
C5 C6 N1 C2 0.73(18)
C7 C6 N1 C2 -177.45(11)
C5 C6 N1 Co1 -177.89(9)
C7 C6 N1 Co1 3.94(14)
C3 C2 N1 C6 -1.32(18)
C1 C2 N1 C6 177.17(11)
C3 C2 N1 Co1 177.29(9)
C1 C2 N1 Co1 -4.23(14)
C12 C13 N2 C9 0.48(19)
C14 C13 N2 C9 -178.34(11)
C12 C13 N2 Co1 176.44(9)
C14 C13 N2 Co1 -2.38(14)
C10 C9 N2 C13 0.67(19)
C8 C9 N2 C13 179.04(11)
C10 C9 N2 Co1 -175.33(9)
C8 C9 N2 Co1 3.04(14)
N3 C15 N4 C16 176.38(12)
N8 C15 N4 C16 -2.61(18)
N5 C16 N4 C15 -176.90(12)
N6 C16 N4 C15 2.58(19)
N7 C17 N6 C16 176.15(12)
N8 C17 N6 C16 -3.57(18)
N5 C16 N6 C17 179.97(12)
N4 C16 N6 C17 0.49(19)
N7 C17 N8 C15 -176.18(12)
N6 C17 N8 C15 3.55(19)
N3 C15 N8 C17 -179.25(12)
N4 C15 N8 C17 -0.25(19)
O2 C1 O1 Co1 178.25(11)
C2 C1 O1 Co1 -0.95(14)
O4 C7 O3 Co1 168.69(10)
C6 C7 O3 Co1 -12.44(13)
O6 C8 O5 Co1 177.49(11)
C9 C8 O5 Co1 -1.93(14)
O8 C14 O7 Co1 -177.89(10)
C13 C14 O7 Co1 2.28(14)
C13 N2 Co1 O1 84.95(10)
C9 N2 Co1 O1 -99.00(10)
C13 N2 Co1 O5 -179.15(10)
C9 N2 Co1 O5 -3.10(9)
C13 N2 Co1 O3 -89.02(10)
C9 N2 Co1 O3 87.03(10)
C13 N2 Co1 O7 2.71(9)
C9 N2 Co1 O7 178.76(10)
C6 N1 Co1 O1 -178.41(10)
C2 N1 Co1 O1 2.95(9)
C6 N1 Co1 O5 83.28(9)
C2 N1 Co1 O5 -95.36(9)
C6 N1 Co1 O3 -7.78(9)
C2 N1 Co1 O3 173.58(10)
C6 N1 Co1 O7 -97.00(9)
C2 N1 Co1 O7 84.36(10)
C1 O1 Co1 N2 172.32(9)
C1 O1 Co1 N1 -0.91(9)
C1 O1 Co1 O5 93.04(10)
C1 O1 Co1 O3 -20.05(14)
C1 O1 Co1 O7 -113.22(10)
C8 O5 Co1 N2 2.70(9)
C8 O5 Co1 N1 -173.89(9)
C8 O5 Co1 O1 109.02(9)
C8 O5 Co1 O3 -97.36(9)
C8 O5 Co1 O7 6.70(15)
C7 O3 Co1 N2 -161.61(9)
C7 O3 Co1 N1 11.20(9)
C7 O3 Co1 O1 30.34(13)
C7 O3 Co1 O5 -84.40(9)
C7 O3 Co1 O7 121.69(9)
C14 O7 Co1 N2 -2.67(9)
C14 O7 Co1 N1 173.94(9)
C14 O7 Co1 O1 -111.90(9)
C14 O7 Co1 O5 -6.68(14)
C14 O7 Co1 O3 96.99(9)
