#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:33:39 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180510 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/79/7217908.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_7217908
loop_
_publ_author_name
'Huang, Fu-Ping'
'Yao, Peng-Fei'
'Luo, Wei'
'Li, Hai-Ye'
'Yu, Qing'
'Bian, Hedong'
'Yan, Shi-Ping'
_publ_section_title
;
 Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand
 system: positional isomeric effect, structural diversification and
 properties
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA03545C
_journal_year                    2014
_chemical_formula_moiety         'C42 H36 Co3 N10 O18, 2(H2 O)'
_chemical_formula_sum            'C42 H40 Co3 N10 O20'
_chemical_formula_weight         1181.63
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2014-07-19
_audit_creation_method
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_cell_angle_alpha                96.16(3)
_cell_angle_beta                 112.99(3)
_cell_angle_gamma                94.10(3)
_cell_formula_units_Z            1
_cell_length_a                   9.998(2)
_cell_length_b                   10.036(2)
_cell_length_c                   12.674(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1155.0(5)
_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
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7468
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.159
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             603.0
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4149
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.915
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0739P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1359
_reflns_number_gt                3594
_reflns_number_total             4176
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra03545c2.cif
_cod_data_source_block           aa
_cod_database_code               7217908
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 1.0000 0.0000 0.5000 0.0217(2) Uani 1 2 d S . .
Co2 Co 1.0000 -0.5000 0.5000 0.0215(2) Uani 1 2 d S . .
Co3 Co 1.0000 0.0000 0.0000 0.0254(2) Uani 1 2 d S . .
C1 C 1.1418(4) -0.2603(4) 0.4371(3) 0.0188(8) Uani 1 1 d . . .
C2 C 1.2739(4) -0.2103(4) 0.4161(3) 0.0206(8) Uani 1 1 d . . .
C3 C 1.4087(4) -0.2310(5) 0.4970(4) 0.0340(11) Uani 1 1 d . . .
H3 H 1.4125 -0.2742 0.5593 0.041 Uiso 1 1 calc R . .
C4 C 1.5367(4) -0.1893(5) 0.4875(4) 0.0335(10) Uani 1 1 d . . .
H4 H 1.6257 -0.2046 0.5431 0.040 Uiso 1 1 calc R . .
C5 C 1.5346(4) -0.1247(4) 0.3959(3) 0.0245(9) Uani 1 1 d . . .
C6 C 1.3995(4) -0.1036(4) 0.3147(3) 0.0231(8) Uani 1 1 d . . .
H6 H 1.3964 -0.0598 0.2529 0.028 Uiso 1 1 calc R . .
C7 C 1.2697(4) -0.1458(4) 0.3227(3) 0.0184(8) Uani 1 1 d . . .
C8 C 1.1287(4) -0.1288(4) 0.2258(3) 0.0198(8) Uani 1 1 d . . .
C9 C 1.6726(4) -0.0786(4) 0.3823(4) 0.0251(9) Uani 1 1 d . . .
C10 C 1.1501(5) 0.2575(5) 0.1703(4) 0.0303(10) Uani 1 1 d . . .
H10 H 1.2257 0.2049 0.1988 0.036 Uiso 1 1 calc R . .
C11 C 1.1709(5) 0.3901(5) 0.2198(4) 0.0354(11) Uani 1 1 d . . .
H11 H 1.2593 0.4257 0.2805 0.043 Uiso 1 1 calc R . .
C12 C 1.0615(5) 0.4695(5) 0.1797(4) 0.0312(10) Uani 1 1 d . . .
H12 H 1.0740 0.5594 0.2123 0.037 Uiso 1 1 calc R . .
C13 C 0.9306(4) 0.4122(4) 0.0884(3) 0.0241(9) Uani 1 1 d . . .
C14 C 0.9185(4) 0.2785(4) 0.0435(4) 0.0277(9) Uani 1 1 d . . .
H14 H 0.8313 0.2403 -0.0173 0.033 Uiso 1 1 calc R . .
C15 C 0.8086(4) 0.4887(4) 0.0362(3) 0.0235(8) Uani 1 1 d . . .
C16 C 0.6094(4) 0.5479(4) -0.0705(3) 0.0259(9) Uani 1 1 d . . .
C17 C 0.4625(4) 0.5401(4) -0.1613(3) 0.0260(9) Uani 1 1 d . . .
C18 C 0.3817(5) 0.4170(4) -0.2156(4) 0.0339(10) Uani 1 1 d . . .
H18 H 0.4196 0.3377 -0.1932 0.041 Uiso 1 1 calc R . .
C19 C 0.2464(5) 0.4113(4) -0.3022(4) 0.0343(10) Uani 1 1 d . . .
H19 H 0.1921 0.3272 -0.3357 0.041 Uiso 1 1 calc R . .
C20 C 0.2653(5) 0.6406(4) -0.2872(4) 0.0343(10) Uani 1 1 d . . .
H20 H 0.2253 0.7185 -0.3115 0.041 Uiso 1 1 calc R . .
C21 C 0.4010(5) 0.6548(4) -0.1973(4) 0.0336(10) Uani 1 1 d . . .
H21 H 0.4506 0.7401 -0.1615 0.040 Uiso 1 1 calc R . .
N1 N 1.0255(4) 0.2011(4) 0.0829(3) 0.0297(8) Uani 1 1 d . . .
N2 N 0.6793(4) 0.4375(3) -0.0460(3) 0.0266(8) Uani 1 1 d . . .
N3 N 0.8138(4) 0.6214(3) 0.0602(3) 0.0280(8) Uani 1 1 d D . .
N4 N 0.6856(4) 0.6618(4) -0.0086(3) 0.0280(8) Uani 1 1 d . . .
N5 N 0.1880(4) 0.5221(3) -0.3413(3) 0.0260(7) Uani 1 1 d . . .
O1 O 1.0649(3) -0.1817(3) 0.4622(3) 0.0286(7) Uani 1 1 d . . .
O2 O 1.1221(3) -0.3855(3) 0.4347(2) 0.0268(6) Uani 1 1 d . . .
O3 O 1.1359(3) -0.0494(3) 0.1578(3) 0.0338(7) Uani 1 1 d . . .
O4 O 1.0144(3) -0.1958(3) 0.2179(3) 0.0341(7) Uani 1 1 d . . .
O5 O 1.6612(3) -0.0273(4) 0.2944(3) 0.0474(9) Uani 1 1 d . . .
O6 O 1.7916(3) -0.0952(3) 0.4620(3) 0.0284(6) Uani 1 1 d . . .
O7 O 0.9315(3) 0.0470(3) 0.3271(3) 0.0311(7) Uani 1 1 d D . .
O8 O 1.0802(4) -0.6644(3) 0.4302(3) 0.0349(7) Uani 1 1 d . . .
H8B H 1.0378 -0.6768 0.3563 0.052 Uiso 1 1 d PR A 1
H8A H 1.0624 -0.7361 0.4556 0.052 Uiso 1 1 d R . .
O9 O 0.8009(3) -0.0396(3) 0.0239(3) 0.0388(8) Uani 1 1 d D . .
O10 O 0.5570(6) 0.1104(8) -0.0632(5) 0.0628(18) Uani 0.708(9) 1 d PU B 1
H7A H 0.8384 0.0397 0.3051 0.075 Uiso 1 1 d RD . .
H9A H 0.7360 0.0192 -0.0015 0.075 Uiso 1 1 d RD . .
H3A H 0.8708 0.6828 0.1030 0.075 Uiso 1 1 d RD . .
H7B H 0.9550 0.0082 0.2802 0.075 Uiso 1 1 d RD . .
H9B H 0.7616 -0.1127 0.0080 0.075 Uiso 1 1 d RD . .
H10C H 0.4874 0.0776 -0.1274 0.094 Uiso 0.708(9) 1 d PR B 1
H10D H 0.5773 0.1944 -0.0621 0.094 Uiso 0.708(9) 1 d PR B 1
O10' O 0.5345(16) 0.011(2) -0.0792(14) 0.0628(18) Uani 0.292(9) 1 d PG B 2
H10A H 0.4833 -0.0462 -0.1384 0.094 Uiso 0.292(9) 1 d PG B 2
H10B H 0.4805 0.0402 -0.0463 0.094 Uiso 0.292(9) 1 d PG B 2
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
O1 Co1 O1 180 2_756 .
O1 Co1 O6 89.76(12) 2_756 1_455
O1 Co1 O6 90.24(12) . 1_455
O1 Co1 O6 90.24(12) 2_756 2_856
O1 Co1 O6 89.76(12) . 2_856
O1 Co1 O7 85.53(12) . 2_756
O1 Co1 O7 85.53(12) 2_756 .
O1 Co1 O7 94.47(12) 2_756 2_756
O1 Co1 O7 94.47(12) . .
O6 Co1 O6 180 2_856 1_455
O6 Co1 O7 90.73(11) 1_455 .
O6 Co1 O7 89.27(11) 2_856 .
O6 Co1 O7 89.27(11) 1_455 2_756
O6 Co1 O7 90.73(11) 2_856 2_756
O7 Co1 O7 180 2_756 .
N5 Co2 N5 180 1_646 2_655
N5 Co2 O8 89.58(14) 1_646 2_746
N5 Co2 O8 90.42(14) 2_655 2_746
N5 Co2 O8 90.42(14) 1_646 .
N5 Co2 O8 89.58(14) 2_655 .
O2 Co2 N5 91.72(13) . 2_655
O2 Co2 N5 91.72(13) 2_746 1_646
O2 Co2 N5 88.28(13) . 1_646
O2 Co2 N5 88.28(13) 2_746 2_655
O2 Co2 O2 180 . 2_746
O2 Co2 O8 83.05(11) 2_746 2_746
O2 Co2 O8 96.95(11) . 2_746
O2 Co2 O8 96.95(11) 2_746 .
O2 Co2 O8 83.05(11) . .
O8 Co2 O8 180 2_746 .
N1 Co3 N1 180 . 2_755
N1 Co3 O9 90.86(13) . 2_755
N1 Co3 O9 89.14(13) 2_755 2_755
N1 Co3 O9 89.14(13) . .
N1 Co3 O9 90.86(13) 2_755 .
O3 Co3 N1 91.65(13) 2_755 .
O3 Co3 N1 91.65(13) . 2_755
O3 Co3 N1 88.35(13) . .
O3 Co3 N1 88.35(13) 2_755 2_755
O3 Co3 O3 180 . 2_755
O3 Co3 O9 84.32(12) . 2_755
O3 Co3 O9 95.68(12) 2_755 2_755
O3 Co3 O9 95.68(12) . .
O3 Co3 O9 84.32(12) 2_755 .
O9 Co3 O9 180 2_755 .
O1 C1 C2 122.0(3) . .
O1 C1 O2 123.0(3) . .
O2 C1 C2 114.9(3) . .
C3 C2 C1 116.3(3) . .
C3 C2 C7 118.5(4) . .
C7 C2 C1 125.2(3) . .
C2 C3 H3 119.2 . .
C4 C3 C2 121.6(4) . .
C4 C3 H3 119.2 . .
C3 C4 H4 119.7 . .
C3 C4 C5 120.6(4) . .
C5 C4 H4 119.7 . .
C4 C5 C6 118.0(4) . .
C4 C5 C9 122.0(4) . .
C6 C5 C9 120.1(4) . .
C5 C6 H6 118.9 . .
C7 C6 C5 122.1(4) . .
C7 C6 H6 118.9 . .
C2 C7 C8 122.4(3) . .
C6 C7 C2 119.2(3) . .
C6 C7 C8 118.3(3) . .
O3 C8 C7 116.9(3) . .
O4 C8 C7 117.9(3) . .
O4 C8 O3 125.1(4) . .
O5 C9 C5 118.2(3) . .
O5 C9 O6 125.2(4) . .
O6 C9 C5 116.7(4) . .
C11 C10 H10 118.7 . .
N1 C10 H10 118.7 . .
N1 C10 C11 122.6(4) . .
C10 C11 H11 120.1 . .
C12 C11 C10 119.8(4) . .
C12 C11 H11 120.1 . .
C11 C12 H12 120.8 . .
C11 C12 C13 118.4(4) . .
C13 C12 H12 120.8 . .
C12 C13 C15 123.0(4) . .
C14 C13 C12 118.2(4) . .
C14 C13 C15 118.8(4) . .
C13 C14 H14 118.3 . .
N1 C14 C13 123.4(4) . .
N1 C14 H14 118.3 . .
N2 C15 C13 125.2(4) . .
N3 C15 C13 124.6(4) . .
N3 C15 N2 110.1(3) . .
N2 C16 C17 122.2(4) . .
N4 C16 C17 123.2(4) . .
N4 C16 N2 114.6(3) . .
C18 C17 C16 120.7(4) . .
C18 C17 C21 117.8(4) . .
C21 C17 C16 121.5(4) . .
C17 C18 H18 120.0 . .
C19 C18 C17 120.0(4) . .
C19 C18 H18 120.0 . .
C18 C19 H19 118.6 . .
N5 C19 C18 122.8(4) . .
N5 C19 H19 118.6 . .
C21 C20 H20 118.1 . .
N5 C20 H20 118.1 . .
N5 C20 C21 123.7(4) . .
C17 C21 H21 120.6 . .
C20 C21 C17 118.8(4) . .
C20 C21 H21 120.6 . .
C10 N1 Co3 122.2(3) . .
C14 N1 Co3 120.1(3) . .
C14 N1 C10 117.6(4) . .
C15 N2 C16 102.9(3) . .
C15 N3 N4 109.8(3) . .
C15 N3 H3A 137.8 . .
N4 N3 H3A 112.4 . .
C16 N4 N3 102.7(3) . .
C19 N5 Co2 119.2(3) . 1_464
C20 N5 Co2 123.1(3) . 1_464
C20 N5 C19 116.9(4) . .
C1 O1 Co1 157.5(3) . .
C1 O2 Co2 130.7(2) . .
C8 O3 Co3 137.5(3) . .
C9 O6 Co1 127.9(3) . 1_655
Co1 O7 H7A 101.5 . .
Co1 O7 H7B 122.4 . .
H7A O7 H7B 112.1 . .
Co2 O8 H8B 109.9 . .
Co2 O8 H8A 109.4 . .
Co3 O9 H9A 115.2 . .
Co3 O9 H9B 118.9 . .
H9A O9 H9B 110.5 . .
H10C O10 H10D 109.5 . .
H10A O10' H10B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.049(3) .
Co1 O1 2.049(3) 2_756
Co1 O6 2.079(3) 1_455
Co1 O6 2.079(3) 2_856
Co1 O7 2.142(3) .
Co1 O7 2.142(3) 2_756
Co2 N5 2.126(3) 1_646
Co2 N5 2.126(3) 2_655
Co2 O2 2.071(3) .
Co2 O2 2.071(3) 2_746
Co2 O8 2.140(3) .
Co2 O8 2.140(3) 2_746
Co3 N1 2.122(4) .
Co3 N1 2.122(4) 2_755
Co3 O3 2.069(3) .
Co3 O3 2.069(3) 2_755
Co3 O9 2.144(3) .
Co3 O9 2.144(3) 2_755
C1 C2 1.508(5) .
C1 O1 1.241(5) .
C1 O2 1.254(5) .
C2 C3 1.385(5) .
C2 C7 1.398(5) .
C3 H3 0.9300 .
C3 C4 1.372(6) .
C4 H4 0.9300 .
C4 C5 1.383(6) .
C5 C6 1.390(5) .
C5 C9 1.502(5) .
C6 H6 0.9300 .
C6 C7 1.380(5) .
C7 C8 1.500(5) .
C8 O3 1.253(5) .
C8 O4 1.247(5) .
C9 O5 1.246(5) .
C9 O6 1.261(5) .
C10 H10 0.9300 .
C10 C11 1.374(6) .
C10 N1 1.337(5) .
C11 H11 0.9300 .
C11 C12 1.366(6) .
C12 H12 0.9300 .
C12 C13 1.396(6) .
C13 C14 1.378(6) .
C13 C15 1.459(5) .
C14 H14 0.9300 .
C14 N1 1.336(5) .
C15 N2 1.327(5) .
C15 N3 1.326(5) .
C16 C17 1.460(5) .
C16 N2 1.352(5) .
C16 N4 1.312(5) .
C17 C18 1.376(6) .
C17 C21 1.381(6) .
C18 H18 0.9300 .
C18 C19 1.361(6) .
C19 H19 0.9300 .
C19 N5 1.345(6) .
C20 H20 0.9300 .
C20 C21 1.375(6) .
C20 N5 1.328(5) .
C21 H21 0.9300 .
N3 N4 1.358(5) .
N3 H3A 0.7969 .
N5 Co2 2.126(3) 1_464
O6 Co1 2.079(3) 1_655
O7 H7A 0.8564 .
O7 H7B 0.7957 .
O8 H8B 0.8541 .
O8 H8A 0.8538 .
O9 H9A 0.8974 .
O9 H9B 0.7739 .
O10 H10C 0.8501 .
O10 H10D 0.8499 .
O10 H10B 1.1009 .
O10' H10C 0.9715 .
O10' H10A 0.8500 .
O10' H10B 0.8500 .
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
C1 C2 C3 C4 -179.6(4) . .
C1 C2 C7 C6 179.2(4) . .
C1 C2 C7 C8 -5.1(6) . .
C2 C1 O1 Co1 -2.1(9) . .
C2 C1 O2 Co2 160.9(2) . .
C2 C3 C4 C5 0.1(7) . .
C2 C7 C8 O3 167.7(4) . .
C2 C7 C8 O4 -13.5(6) . .
C3 C2 C7 C6 -0.6(6) . .
C3 C2 C7 C8 175.0(4) . .
C3 C4 C5 C6 0.0(7) . .
C3 C4 C5 C9 -179.5(4) . .
C4 C5 C6 C7 -0.4(6) . .
C4 C5 C9 O5 176.4(4) . .
C4 C5 C9 O6 -3.7(6) . .
C5 C6 C7 C2 0.7(6) . .
C5 C6 C7 C8 -175.1(4) . .
C5 C9 O6 Co1 -161.1(3) . 1_655
C6 C5 C9 O5 -3.1(6) . .
C6 C5 C9 O6 176.8(4) . .
C6 C7 C8 O3 -16.6(5) . .
C6 C7 C8 O4 162.2(4) . .
C7 C2 C3 C4 0.2(7) . .
C7 C8 O3 Co3 168.9(3) . .
C9 C5 C6 C7 179.1(4) . .
C10 C11 C12 C13 0.0(7) . .
C11 C10 N1 Co3 175.9(3) . .
C11 C10 N1 C14 -0.1(6) . .
C11 C12 C13 C14 0.0(6) . .
C11 C12 C13 C15 -177.9(4) . .
C12 C13 C14 N1 0.0(6) . .
C12 C13 C15 N2 -176.0(4) . .
C12 C13 C15 N3 7.7(6) . .
C13 C14 N1 Co3 -176.0(3) . .
C13 C14 N1 C10 0.0(6) . .
C13 C15 N2 C16 -175.8(4) . .
C13 C15 N3 N4 175.9(4) . .
C14 C13 C15 N2 6.1(6) . .
C14 C13 C15 N3 -170.1(4) . .
C15 C13 C14 N1 178.0(4) . .
C15 N3 N4 C16 0.4(4) . .
C16 C17 C18 C19 -178.3(4) . .
C16 C17 C21 C20 176.8(4) . .
C17 C16 N2 C15 177.5(4) . .
C17 C16 N4 N3 -177.9(4) . .
C17 C18 C19 N5 2.5(7) . .
C18 C17 C21 C20 -1.9(7) . .
C18 C19 N5 Co2 166.1(4) . 1_464
C18 C19 N5 C20 -3.6(7) . .
C21 C17 C18 C19 0.4(7) . .
C21 C20 N5 Co2 -167.4(4) . 1_464
C21 C20 N5 C19 1.9(7) . .
N1 Co3 N1 C10 135(100) 2_755 .
N1 Co3 N1 C14 -49(100) 2_755 .
N1 Co3 O3 C8 -59.7(4) 2_755 .
N1 Co3 O3 C8 120.3(4) . .
N1 C10 C11 C12 0.1(7) . .
N2 C15 N3 N4 -0.9(5) . .
N2 C16 C17 C18 8.5(6) . .
N2 C16 C17 C21 -170.2(4) . .
N2 C16 N4 N3 0.2(5) . .
N3 C15 N2 C16 0.9(4) . .
N4 C16 C17 C18 -173.4(4) . .
N4 C16 C17 C21 7.9(6) . .
N4 C16 N2 C15 -0.7(5) . .
N5 Co2 O2 C1 91.0(3) 2_655 .
N5 Co2 O2 C1 -89.0(3) 1_646 .
N5 C20 C21 C17 0.8(7) . .
O1 Co1 O1 C1 178(100) 2_756 .
O1 C1 C2 C3 112.4(5) . .
O1 C1 C2 C7 -67.5(5) . .
O1 C1 O2 Co2 -14.5(6) . .
O2 Co2 O2 C1 123(100) 2_746 .
O2 C1 C2 C3 -63.1(5) . .
O2 C1 C2 C7 117.0(4) . .
O2 C1 O1 Co1 173.0(5) . .
O3 Co3 N1 C10 33.5(3) . .
O3 Co3 N1 C10 -146.5(3) 2_755 .
O3 Co3 N1 C14 -150.7(3) . .
O3 Co3 N1 C14 29.3(3) 2_755 .
O3 Co3 O3 C8 -11(100) 2_755 .
O4 C8 O3 Co3 -9.8(7) . .
O5 C9 O6 Co1 18.7(6) . 1_655
O6 Co1 O1 C1 -18.2(7) 2_856 .
O6 Co1 O1 C1 161.8(7) 1_455 .
O7 Co1 O1 C1 71.1(7) . .
O7 Co1 O1 C1 -108.9(7) 2_756 .
O8 Co2 O2 C1 0.4(3) 2_746 .
O8 Co2 O2 C1 -179.6(3) . .
O9 Co3 N1 C10 129.2(3) . .
O9 Co3 N1 C10 -50.8(3) 2_755 .
O9 Co3 N1 C14 -55.0(3) . .
O9 Co3 N1 C14 125.0(3) 2_755 .
O9 Co3 O3 C8 31.3(4) . .
O9 Co3 O3 C8 -148.7(4) 2_755 .
