#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/68/1516872.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_1516872
loop_
_publ_author_name
'Ryoji Mitsuhashi'
'Takayoshi Suzuki'
'Yukinari Sunatsuki'
'Masaaki Kojima'
_publ_section_title
;
 Hydrogen-bonding interactions, geometrical selectivity and spectroscopic
 properties of cobalt(III) complexes with unsymmetrical tridentate
 amine-amidato-phenolato type ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              131
_journal_page_last               137
_journal_volume                  399
_journal_year                    2013
_chemical_formula_moiety         'K 1+, C20 H24 Co N4 O4 1-, 5(H2 O)'
_chemical_formula_sum            'C20 H34 Co K N4 O9'
_chemical_formula_weight         572.54
_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                93.285(3)
_cell_angle_beta                 96.038(3)
_cell_angle_gamma                95.398(4)
_cell_formula_units_Z            2
_cell_length_a                   7.4365(10)
_cell_length_b                   12.8737(15)
_cell_length_c                   13.1923(16)
_cell_measurement_reflns_used    7204
_cell_measurement_temperature    188(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     1247.5(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'ORTEP-3 for win'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      188(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0594
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12430
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.911
_exptl_absorpt_correction_T_max  0.9144
_exptl_absorpt_correction_T_min  0.7717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.940
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5656
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0815
_refine_ls_R_factor_gt           0.0487
_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)+(0.1011P)²+0.8902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1870
_reflns_number_gt                4128
_reflns_number_total             5656
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-399-131-137-6.cif
_cod_data_source_block           K[4]_5H2O
_cod_database_code               1516872
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 0.5000 0.01618(19) Uani 1 2 d S
Co2 Co 0.0000 0.0000 0.0000 0.01810(19) Uani 1 2 d S
K1 K 0.26547(12) 0.06628(7) 0.43566(7) 0.0289(2) Uani 1 1 d .
O1 O 0.3205(4) 0.4441(2) 0.39250(19) 0.0216(5) Uani 1 1 d .
O2 O 0.1555(4) 0.7343(2) 0.4778(2) 0.0289(6) Uani 1 1 d .
O3 O 0.2240(4) 0.0708(2) 0.06294(19) 0.0229(6) Uani 1 1 d .
O4 O 0.2840(4) 0.0696(2) -0.24518(19) 0.0258(6) Uani 1 1 d .
O5 O 0.1240(4) 0.2492(2) 0.3937(2) 0.0324(7) Uani 1 1 d .
O6 O 0.0154(4) 0.0952(2) 0.5916(2) 0.0314(7) Uani 1 1 d .
O7 O 0.6429(4) 0.0826(2) 0.4251(2) 0.0363(7) Uani 1 1 d .
O9 O 0.3465(6) -0.0228(4) 0.2401(3) 0.0609(12) Uani 1 1 d .
O10 O 0.4530(4) 0.1890(2) 0.6156(2) 0.0363(7) Uani 1 1 d .
N1 N 0.3518(4) 0.6141(2) 0.5255(2) 0.0192(6) Uani 1 1 d .
N2 N 0.3568(4) 0.4154(2) 0.5899(2) 0.0207(6) Uani 1 1 d .
H2A H 0.2449 0.3948 0.5541 0.025 Uiso 1 1 calc R
H2B H 0.4133 0.3557 0.6004 0.025 Uiso 1 1 calc R
N3 N 0.0946(4) 0.0042(2) -0.1321(2) 0.0206(6) Uani 1 1 d .
N4 N 0.1206(4) -0.1288(2) 0.0200(2) 0.0237(7) Uani 1 1 d .
H4A H 0.2430 -0.1087 0.0352 0.028 Uiso 1 1 calc R
H4B H 0.0811 -0.1568 0.0773 0.028 Uiso 1 1 calc R
C1 C 0.2468(5) 0.5050(3) 0.3249(3) 0.0196(7) Uani 1 1 d .
C2 C 0.1932(5) 0.4612(3) 0.2243(3) 0.0267(8) Uani 1 1 d .
H2 H 0.2117 0.3905 0.2075 0.032 Uiso 1 1 calc R
C3 C 0.1147(6) 0.5191(4) 0.1506(3) 0.0308(9) Uani 1 1 d .
H3 H 0.0804 0.4881 0.0834 0.037 Uiso 1 1 calc R
C4 C 0.0848(6) 0.6225(3) 0.1730(3) 0.0304(9) Uani 1 1 d .
H4 H 0.0318 0.6625 0.1216 0.036 Uiso 1 1 calc R
C5 C 0.1337(5) 0.6666(3) 0.2721(3) 0.0267(8) Uani 1 1 d .
H5 H 0.1123 0.7369 0.2881 0.032 Uiso 1 1 calc R
C6 C 0.2141(5) 0.6090(3) 0.3490(3) 0.0203(7) Uani 1 1 d .
C7 C 0.2443(5) 0.6553(3) 0.4573(3) 0.0192(7) Uani 1 1 d .
C8 C 0.3470(5) 0.6469(3) 0.6332(3) 0.0226(8) Uani 1 1 d .
H8A H 0.2909 0.7135 0.6386 0.027 Uiso 1 1 calc R
H8B H 0.4723 0.6586 0.6683 0.027 Uiso 1 1 calc R
C9 C 0.2372(6) 0.5626(3) 0.6837(3) 0.0264(8) Uani 1 1 d .
H9A H 0.2191 0.5900 0.7532 0.032 Uiso 1 1 calc R
H9B H 0.1159 0.5477 0.6442 0.032 Uiso 1 1 calc R
C10 C 0.3245(6) 0.4612(3) 0.6920(3) 0.0243(8) Uani 1 1 d .
H10A H 0.4417 0.4744 0.7360 0.029 Uiso 1 1 calc R
H10B H 0.2445 0.4104 0.7246 0.029 Uiso 1 1 calc R
C11 C 0.2997(5) 0.1547(3) 0.0229(3) 0.0218(7) Uani 1 1 d .
C12 C 0.3886(5) 0.2380(3) 0.0894(3) 0.0258(8) Uani 1 1 d .
H12 H 0.3950 0.2325 0.1612 0.031 Uiso 1 1 calc R
C13 C 0.4661(6) 0.3270(3) 0.0518(3) 0.0325(9) Uani 1 1 d .
H13 H 0.5251 0.3823 0.0978 0.039 Uiso 1 1 calc R
C14 C 0.4591(6) 0.3369(3) -0.0534(3) 0.0330(9) Uani 1 1 d .
H14 H 0.5091 0.3993 -0.0793 0.040 Uiso 1 1 calc R
C15 C 0.3784(6) 0.2545(3) -0.1189(3) 0.0297(9) Uani 1 1 d .
H15 H 0.3789 0.2598 -0.1904 0.036 Uiso 1 1 calc R
C16 C 0.2955(5) 0.1631(3) -0.0837(3) 0.0237(8) Uani 1 1 d .
C17 C 0.2203(5) 0.0747(3) -0.1577(3) 0.0217(8) Uani 1 1 d .
C18 C 0.0475(6) -0.0902(3) -0.2014(3) 0.0232(8) Uani 1 1 d .
H18A H 0.0776 -0.0751 -0.2708 0.028 Uiso 1 1 calc R
H18B H -0.0847 -0.1113 -0.2056 0.028 Uiso 1 1 calc R
C19 C 0.1527(6) -0.1790(3) -0.1625(3) 0.0282(9) Uani 1 1 d .
H19A H 0.1309 -0.2389 -0.2142 0.034 Uiso 1 1 calc R
H19B H 0.2843 -0.1554 -0.1549 0.034 Uiso 1 1 calc R
C20 C 0.1009(6) -0.2153(3) -0.0618(3) 0.0266(8) Uani 1 1 d .
H20A H -0.0268 -0.2470 -0.0713 0.032 Uiso 1 1 calc R
H20B H 0.1786 -0.2701 -0.0397 0.032 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 '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'
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 180.0 2_666 .
O1 Co1 N1 89.04(12) 2_666 2_666
O1 Co1 N1 90.96(12) . 2_666
O1 Co1 N1 90.96(12) 2_666 .
O1 Co1 N1 89.04(12) . .
N1 Co1 N1 179.999(1) 2_666 .
O1 Co1 N2 85.69(12) 2_666 2_666
O1 Co1 N2 94.31(12) . 2_666
N1 Co1 N2 88.47(13) 2_666 2_666
N1 Co1 N2 91.53(13) . 2_666
O1 Co1 N2 94.31(12) 2_666 .
O1 Co1 N2 85.69(12) . .
N1 Co1 N2 91.53(13) 2_666 .
N1 Co1 N2 88.47(13) . .
N2 Co1 N2 180.00(15) 2_666 .
O3 Co2 O3 180.0 2 .
O3 Co2 N3 90.59(12) 2 .
O3 Co2 N3 89.41(12) . .
O3 Co2 N3 89.41(12) 2 2
O3 Co2 N3 90.59(12) . 2
N3 Co2 N3 180.0 . 2
O3 Co2 N4 94.95(12) 2 .
O3 Co2 N4 85.05(12) . .
N3 Co2 N4 87.55(13) . .
N3 Co2 N4 92.45(13) 2 .
O3 Co2 N4 85.05(12) 2 2
O3 Co2 N4 94.95(12) . 2
N3 Co2 N4 92.45(13) . 2
N3 Co2 N4 87.55(13) 2 2
N4 Co2 N4 180.0 . 2
O5 K1 O6 108.57(9) . 2_556
O5 K1 O7 150.15(10) . 2_656
O6 K1 O7 73.18(9) 2_556 2_656
O5 K1 O7 111.46(10) . .
O6 K1 O7 135.58(9) 2_556 .
O7 K1 O7 81.43(10) 2_656 .
O5 K1 O9 105.28(10) . .
O6 K1 O9 82.40(12) 2_556 .
O7 K1 O9 104.48(11) 2_656 .
O7 K1 O9 69.29(11) . .
O5 K1 O10 83.81(9) . .
O6 K1 O10 133.29(9) 2_556 .
O7 K1 O10 75.26(9) 2_656 .
O7 K1 O10 70.28(9) . .
O9 K1 O10 139.08(12) . .
O5 K1 O6 75.63(9) . .
O6 K1 O6 70.68(10) 2_556 .
O7 K1 O6 77.17(9) 2_656 .
O7 K1 O6 137.85(9) . .
O9 K1 O6 151.45(11) . .
O10 K1 O6 69.36(9) . .
O5 K1 K1 144.41(8) . 2_656
O6 K1 K1 106.30(7) 2_556 2_656
O7 K1 K1 40.74(7) 2_656 2_656
O7 K1 K1 40.68(6) . 2_656
O9 K1 K1 86.07(8) . 2_656
O10 K1 K1 67.02(7) . 2_656
O6 K1 K1 110.06(6) . 2_656
O5 K1 K1 91.91(7) . 2_556
O6 K1 K1 36.48(6) 2_556 2_556
O7 K1 K1 71.80(7) 2_656 2_556
O7 K1 K1 153.19(7) . 2_556
O9 K1 K1 118.34(10) . 2_556
O10 K1 K1 100.73(7) . 2_556
O6 K1 K1 34.20(6) . 2_556
K1 K1 K1 112.53(4) 2_656 2_556
C1 O1 Co1 121.3(2) . .
C11 O3 Co2 120.4(2) . .
K1 O6 K1 109.32(10) 2_556 .
K1 O7 K1 98.57(10) 2_656 .
C7 N1 C8 117.9(3) . .
C7 N1 Co1 126.3(2) . .
C8 N1 Co1 115.4(2) . .
C10 N2 Co1 119.9(2) . .
C10 N2 H2A 107.4 . .
Co1 N2 H2A 107.4 . .
C10 N2 H2B 107.4 . .
Co1 N2 H2B 107.4 . .
H2A N2 H2B 106.9 . .
C17 N3 C18 117.0(3) . .
C17 N3 Co2 126.0(3) . .
C18 N3 Co2 115.9(2) . .
C20 N4 Co2 121.1(2) . .
C20 N4 H4A 107.1 . .
Co2 N4 H4A 107.1 . .
C20 N4 H4B 107.1 . .
Co2 N4 H4B 107.1 . .
H4A N4 H4B 106.8 . .
O1 C1 C6 123.6(3) . .
O1 C1 C2 117.8(3) . .
C6 C1 C2 118.6(3) . .
C3 C2 C1 121.1(4) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C2 C3 C4 120.8(4) . .
C2 C3 H3 119.6 . .
C4 C3 H3 119.6 . .
C3 C4 C5 119.0(4) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C4 C5 C6 121.4(4) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C5 C6 C1 119.1(3) . .
C5 C6 C7 119.4(3) . .
C1 C6 C7 121.1(3) . .
O2 C7 N1 123.6(3) . .
O2 C7 C6 116.3(3) . .
N1 C7 C6 120.1(3) . .
N1 C8 C9 109.5(3) . .
N1 C8 H8A 109.8 . .
C9 C8 H8A 109.8 . .
N1 C8 H8B 109.8 . .
C9 C8 H8B 109.8 . .
H8A C8 H8B 108.2 . .
C10 C9 C8 114.2(3) . .
C10 C9 H9A 108.7 . .
C8 C9 H9A 108.7 . .
C10 C9 H9B 108.7 . .
C8 C9 H9B 108.7 . .
H9A C9 H9B 107.6 . .
N2 C10 C9 111.7(3) . .
N2 C10 H10A 109.3 . .
C9 C10 H10A 109.3 . .
N2 C10 H10B 109.3 . .
C9 C10 H10B 109.3 . .
H10A C10 H10B 107.9 . .
O3 C11 C12 118.7(3) . .
O3 C11 C16 122.5(3) . .
C12 C11 C16 118.8(3) . .
C13 C12 C11 120.9(4) . .
C13 C12 H12 119.5 . .
C11 C12 H12 119.5 . .
C12 C13 C14 120.7(4) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C15 C14 C13 118.8(4) . .
C15 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
C14 C15 C16 122.3(4) . .
C14 C15 H15 118.9 . .
C16 C15 H15 118.9 . .
C15 C16 C11 118.5(4) . .
C15 C16 C17 119.8(3) . .
C11 C16 C17 121.6(3) . .
O4 C17 N3 122.8(3) . .
O4 C17 C16 117.5(3) . .
N3 C17 C16 119.8(3) . .
N3 C18 C19 110.0(3) . .
N3 C18 H18A 109.7 . .
C19 C18 H18A 109.7 . .
N3 C18 H18B 109.7 . .
C19 C18 H18B 109.7 . .
H18A C18 H18B 108.2 . .
C20 C19 C18 113.6(3) . .
C20 C19 H19A 108.9 . .
C18 C19 H19A 108.9 . .
C20 C19 H19B 108.9 . .
C18 C19 H19B 108.9 . .
H19A C19 H19B 107.7 . .
N4 C20 C19 112.7(3) . .
N4 C20 H20A 109.0 . .
C19 C20 H20A 109.0 . .
N4 C20 H20B 109.0 . .
C19 C20 H20B 109.0 . .
H20A C20 H20B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.901(3) 2_666
Co1 O1 1.901(3) .
Co1 N1 1.952(3) 2_666
Co1 N1 1.952(3) .
Co1 N2 1.980(3) 2_666
Co1 N2 1.980(3) .
Co2 O3 1.906(3) 2
Co2 O3 1.906(3) .
Co2 N3 1.949(3) .
Co2 N3 1.949(3) 2
Co2 N4 1.975(3) .
Co2 N4 1.975(3) 2
K1 O5 2.729(3) .
K1 O6 2.784(3) 2_556
K1 O7 2.810(3) 2_656
K1 O7 2.813(3) .
K1 O9 2.906(4) .
K1 O10 2.922(3) .
K1 O6 2.946(3) .
K1 K1 4.2624(18) 2_656
K1 K1 4.6753(19) 2_556
O1 C1 1.330(4) .
O2 C7 1.295(4) .
O3 C11 1.333(4) .
O4 C17 1.294(4) .
O6 K1 2.784(3) 2_556
O7 K1 2.810(3) 2_656
N1 C7 1.309(5) .
N1 C8 1.463(5) .
N2 C10 1.491(5) .
N2 H2A 0.9200 .
N2 H2B 0.9200 .
N3 C17 1.324(5) .
N3 C18 1.470(5) .
N4 C20 1.492(5) .
N4 H4A 0.9200 .
N4 H4B 0.9200 .
C1 C6 1.408(5) .
C1 C2 1.413(5) .
C2 C3 1.375(6) .
C2 H2 0.9500 .
C3 C4 1.391(6) .
C3 H3 0.9500 .
C4 C5 1.392(6) .
C4 H4 0.9500 .
C5 C6 1.407(5) .
C5 H5 0.9500 .
C6 C7 1.501(5) .
C8 C9 1.524(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.516(5) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.412(5) .
C11 C16 1.414(5) .
C12 C13 1.376(6) .
C12 H12 0.9500 .
C13 C14 1.396(6) .
C13 H13 0.9500 .
C14 C15 1.377(6) .
C14 H14 0.9500 .
C15 C16 1.402(6) .
C15 H15 0.9500 .
C16 C17 1.482(5) .
C18 C19 1.527(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.510(5) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
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
N2 H2B O10 0.920 2.212 3.094(4) 160.62 1_555
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
O1 Co1 O1 C1 -8(24) 2_666 .
N1 Co1 O1 C1 -134.9(3) 2_666 .
N1 Co1 O1 C1 45.1(3) . .
N2 Co1 O1 C1 -46.4(3) 2_666 .
N2 Co1 O1 C1 133.6(3) . .
O3 Co2 O3 C11 -147(4) 2 .
N3 Co2 O3 C11 46.5(3) . .
N3 Co2 O3 C11 -133.5(3) 2 .
N4 Co2 O3 C11 134.1(3) . .
N4 Co2 O3 C11 -45.9(3) 2 .
O5 K1 O6 K1 115.99(11) . 2_556
O6 K1 O6 K1 0.0 2_556 2_556
O7 K1 O6 K1 -76.43(10) 2_656 2_556
O7 K1 O6 K1 -137.77(12) . 2_556
O9 K1 O6 K1 20.3(2) . 2_556
O10 K1 O6 K1 -155.30(12) . 2_556
K1 K1 O6 K1 -100.87(8) 2_656 2_556
O5 K1 O7 K1 152.03(10) . 2_656
O6 K1 O7 K1 -55.11(16) 2_556 2_656
O7 K1 O7 K1 -0.001(2) 2_656 2_656
O9 K1 O7 K1 -109.11(13) . 2_656
O10 K1 O7 K1 77.34(10) . 2_656
O6 K1 O7 K1 59.91(16) . 2_656
K1 K1 O7 K1 3.0(2) 2_556 2_656
O1 Co1 N1 C7 148.5(3) 2_666 .
O1 Co1 N1 C7 -31.5(3) . .
N1 Co1 N1 C7 94(3) 2_666 .
N2 Co1 N1 C7 62.8(3) 2_666 .
N2 Co1 N1 C7 -117.2(3) . .
O1 Co1 N1 C8 -39.0(3) 2_666 .
O1 Co1 N1 C8 141.0(3) . .
N1 Co1 N1 C8 -93(3) 2_666 .
N2 Co1 N1 C8 -124.7(3) 2_666 .
N2 Co1 N1 C8 55.3(3) . .
O1 Co1 N2 C10 42.6(3) 2_666 .
O1 Co1 N2 C10 -137.4(3) . .
N1 Co1 N2 C10 131.7(3) 2_666 .
N1 Co1 N2 C10 -48.3(3) . .
N2 Co1 N2 C10 -6(8) 2_666 .
O3 Co2 N3 C17 153.1(3) 2 .
O3 Co2 N3 C17 -26.9(3) . .
N3 Co2 N3 C17 122(4) 2 .
N4 Co2 N3 C17 -112.0(3) . .
N4 Co2 N3 C17 68.0(3) 2 .
O3 Co2 N3 C18 -39.4(3) 2 .
O3 Co2 N3 C18 140.6(3) . .
N3 Co2 N3 C18 -70(4) 2 .
N4 Co2 N3 C18 55.5(3) . .
N4 Co2 N3 C18 -124.5(3) 2 .
O3 Co2 N4 C20 42.6(3) 2 .
O3 Co2 N4 C20 -137.4(3) . .
N3 Co2 N4 C20 -47.7(3) . .
N3 Co2 N4 C20 132.3(3) 2 .
N4 Co2 N4 C20 -161(11) 2 .
Co1 O1 C1 C6 -34.1(5) . .
Co1 O1 C1 C2 148.1(3) . .
O1 C1 C2 C3 179.5(4) . .
C6 C1 C2 C3 1.5(6) . .
C1 C2 C3 C4 -0.4(6) . .
C2 C3 C4 C5 -0.8(6) . .
C3 C4 C5 C6 0.7(6) . .
C4 C5 C6 C1 0.5(6) . .
C4 C5 C6 C7 -172.8(4) . .
O1 C1 C6 C5 -179.4(3) . .
C2 C1 C6 C5 -1.6(5) . .
O1 C1 C6 C7 -6.2(6) . .
C2 C1 C6 C7 171.6(3) . .
C8 N1 C7 O2 11.0(5) . .
Co1 N1 C7 O2 -176.6(3) . .
C8 N1 C7 C6 -167.2(3) . .
Co1 N1 C7 C6 5.2(5) . .
C5 C6 C7 O2 16.2(5) . .
C1 C6 C7 O2 -157.0(3) . .
C5 C6 C7 N1 -165.5(4) . .
C1 C6 C7 N1 21.3(5) . .
C7 N1 C8 C9 102.2(4) . .
Co1 N1 C8 C9 -71.0(3) . .
N1 C8 C9 C10 66.9(4) . .
Co1 N2 C10 C9 55.3(4) . .
C8 C9 C10 N2 -58.2(4) . .
Co2 O3 C11 C12 142.7(3) . .
Co2 O3 C11 C16 -37.7(5) . .
O3 C11 C12 C13 -178.9(4) . .
C16 C11 C12 C13 1.6(6) . .
C11 C12 C13 C14 -0.2(6) . .
C12 C13 C14 C15 -2.1(7) . .
C13 C14 C15 C16 3.1(7) . .
C14 C15 C16 C11 -1.7(6) . .
C14 C15 C16 C17 -176.5(4) . .
O3 C11 C16 C15 179.8(4) . .
C12 C11 C16 C15 -0.7(6) . .
O3 C11 C16 C17 -5.5(6) . .
C12 C11 C16 C17 174.0(4) . .
C18 N3 C17 O4 8.8(5) . .
Co2 N3 C17 O4 176.2(3) . .
C18 N3 C17 C16 -170.2(3) . .
Co2 N3 C17 C16 -2.9(5) . .
C15 C16 C17 O4 22.4(5) . .
C11 C16 C17 O4 -152.2(4) . .
C15 C16 C17 N3 -158.4(4) . .
C11 C16 C17 N3 26.9(5) . .
C17 N3 C18 C19 96.9(4) . .
Co2 N3 C18 C19 -71.7(4) . .
N3 C18 C19 C20 65.4(5) . .
Co2 N4 C20 C19 54.3(4) . .
C18 C19 C20 N4 -55.8(5) . .
