#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/68/1516867.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_1516867
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+, C22 H28 Co N4 O4 1-, C H4 O'
_chemical_formula_sum            'C23 H32 Co K N4 O5'
_chemical_formula_weight         542.56
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.6732(7)
_cell_length_b                   15.9989(8)
_cell_length_c                   25.6674(12)
_cell_measurement_reflns_used    33297
_cell_measurement_temperature    191(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     4793.6(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'CrystalStructure 3.8'
_computing_molecular_graphics    'ortep-3 for win'
_computing_publication_material  SHELXL97
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      191(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0136
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            49488
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_T_max  0.9126
_exptl_absorpt_correction_T_min  0.7362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.    Rigaku Corporation,
 Tokyo, Japan. 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.318
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5452
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0374P)²+3.2814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                4930
_reflns_number_total             5452
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-399-131-137-1.cif
_cod_data_source_block           K[1]_CH3OH
_cod_database_code               1516867
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, z'
'x, -y+1/2, z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, -z'
'-x, y-1/2, -z-1/2'
'x-1/2, y, -z-1/2'
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 0.211966(16) 0.241820(12) 0.136546(7) 0.01453(6) Uani 1 1 d .
K1 K 0.31904(3) 0.17212(2) 0.016138(14) 0.02568(9) Uani 1 1 d .
O1 O 0.32189(9) 0.30122(7) 0.09556(4) 0.0188(2) Uani 1 1 d .
O2 O 0.02119(10) 0.27661(8) 0.00328(5) 0.0271(3) Uani 1 1 d .
O3 O 0.27716(9) 0.13780(7) 0.11681(4) 0.0191(2) Uani 1 1 d .
O4 O 0.47963(10) 0.24444(8) 0.23950(5) 0.0279(3) Uani 1 1 d .
O5 O 0.15417(13) 0.17558(10) -0.06113(5) 0.0442(4) Uani 1 1 d .
H5A H 0.1077 0.2063 -0.0504 0.054 Uiso 1 1 d .
N1 N 0.11346(11) 0.23254(8) 0.07698(5) 0.0176(3) Uani 1 1 d .
N2 N 0.09115(11) 0.17571(8) 0.17173(5) 0.0185(3) Uani 1 1 d .
H2A H 0.1217 0.1258 0.1828 0.022 Uiso 1 1 calc R
H2B H 0.0660 0.2044 0.2006 0.022 Uiso 1 1 calc R
N3 N 0.30643(11) 0.24841(8) 0.19775(5) 0.0179(3) Uani 1 1 d .
N4 N 0.14540(11) 0.34699(8) 0.16211(5) 0.0196(3) Uani 1 1 d .
H4A H 0.1421 0.3848 0.1351 0.024 Uiso 1 1 calc R
H4B H 0.0717 0.3372 0.1733 0.024 Uiso 1 1 calc R
C1 C 0.29051(13) 0.35570(9) 0.05934(6) 0.0178(3) Uani 1 1 d .
C2 C 0.36883(14) 0.42030(10) 0.04624(6) 0.0217(3) Uani 1 1 d .
H2 H 0.4388 0.4246 0.0650 0.026 Uiso 1 1 calc R
C3 C 0.34595(14) 0.47709(10) 0.00694(6) 0.0240(3) Uani 1 1 d .
H3 H 0.4001 0.5196 -0.0009 0.029 Uiso 1 1 calc R
C4 C 0.24435(15) 0.47243(10) -0.02126(6) 0.0250(3) Uani 1 1 d .
H4 H 0.2290 0.5113 -0.0484 0.030 Uiso 1 1 calc R
C5 C 0.16615(14) 0.41048(10) -0.00933(6) 0.0237(3) Uani 1 1 d .
H5 H 0.0971 0.4070 -0.0288 0.028 Uiso 1 1 calc R
C6 C 0.18594(13) 0.35250(9) 0.03081(6) 0.0188(3) Uani 1 1 d .
C7 C 0.09968(13) 0.28431(10) 0.03733(6) 0.0186(3) Uani 1 1 d .
C8 C 0.03976(13) 0.15884(9) 0.08126(6) 0.0199(3) Uani 1 1 d .
H8A H 0.0848 0.1073 0.0751 0.024 Uiso 1 1 calc R
H8B H -0.0226 0.1615 0.0552 0.024 Uiso 1 1 calc R
C9 C -0.00970(13) 0.15843(10) 0.13613(6) 0.0214(3) Uani 1 1 d .
C10 C -0.09938(15) 0.22706(12) 0.14105(7) 0.0310(4) Uani 1 1 d .
H10A H -0.1311 0.2268 0.1764 0.037 Uiso 1 1 calc R
H10B H -0.1610 0.2172 0.1158 0.037 Uiso 1 1 calc R
H10C H -0.0638 0.2814 0.1341 0.037 Uiso 1 1 calc R
C11 C -0.06256(16) 0.07406(12) 0.14959(8) 0.0340(4) Uani 1 1 d .
H11A H -0.0934 0.0759 0.1851 0.041 Uiso 1 1 calc R
H11B H -0.0038 0.0305 0.1473 0.041 Uiso 1 1 calc R
H11C H -0.1245 0.0616 0.1250 0.041 Uiso 1 1 calc R
C12 C 0.38003(13) 0.11175(9) 0.13113(6) 0.0178(3) Uani 1 1 d .
C13 C 0.42170(14) 0.03948(10) 0.10526(6) 0.0223(3) Uani 1 1 d .
H13 H 0.3756 0.0137 0.0793 0.027 Uiso 1 1 calc R
C14 C 0.52782(14) 0.00571(10) 0.11684(7) 0.0258(3) Uani 1 1 d .
H14 H 0.5532 -0.0431 0.0992 0.031 Uiso 1 1 calc R
C15 C 0.59755(15) 0.04302(11) 0.15422(7) 0.0293(4) Uani 1 1 d .
H15 H 0.6709 0.0205 0.1620 0.035 Uiso 1 1 calc R
C16 C 0.55803(14) 0.11366(11) 0.17983(7) 0.0255(3) Uani 1 1 d .
H16 H 0.6059 0.1393 0.2051 0.031 Uiso 1 1 calc R
C17 C 0.45007(13) 0.14868(9) 0.16984(6) 0.0194(3) Uani 1 1 d .
C18 C 0.41188(13) 0.21933(10) 0.20435(6) 0.0195(3) Uani 1 1 d .
C19 C 0.26259(14) 0.30926(9) 0.23559(6) 0.0207(3) Uani 1 1 d .
H19A H 0.3252 0.3276 0.2590 0.025 Uiso 1 1 calc R
H19B H 0.2020 0.2832 0.2571 0.025 Uiso 1 1 calc R
C20 C 0.21394(13) 0.38431(10) 0.20635(6) 0.0200(3) Uani 1 1 d .
C21 C 0.31076(14) 0.43787(10) 0.18428(7) 0.0251(3) Uani 1 1 d .
H21A H 0.2782 0.4857 0.1656 0.030 Uiso 1 1 calc R
H21B H 0.3570 0.4043 0.1602 0.030 Uiso 1 1 calc R
H21C H 0.3592 0.4580 0.2128 0.030 Uiso 1 1 calc R
C22 C 0.13537(16) 0.43576(11) 0.24147(7) 0.0288(4) Uani 1 1 d .
H22A H 0.1052 0.4835 0.2219 0.035 Uiso 1 1 calc R
H22B H 0.1788 0.4560 0.2716 0.035 Uiso 1 1 calc R
H22C H 0.0717 0.4008 0.2534 0.035 Uiso 1 1 calc R
C23 C 0.1339(2) 0.16816(15) -0.11531(8) 0.0435(5) Uani 1 1 d .
H23A H 0.0521 0.1758 -0.1223 0.052 Uiso 1 1 calc R
H23B H 0.1578 0.1126 -0.1271 0.052 Uiso 1 1 calc R
H23C H 0.1779 0.2109 -0.1339 0.052 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
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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'
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
O3 Co1 O1 91.14(5) . .
O3 Co1 N1 87.69(5) . .
O1 Co1 N1 90.13(5) . .
O3 Co1 N3 92.08(5) . .
O1 Co1 N3 92.15(5) . .
N1 Co1 N3 177.72(6) . .
O3 Co1 N4 175.98(5) . .
O1 Co1 N4 91.35(5) . .
N1 Co1 N4 95.46(5) . .
N3 Co1 N4 84.67(5) . .
O3 Co1 N2 86.50(5) . .
O1 Co1 N2 173.74(5) . .
N1 Co1 N2 83.98(5) . .
N3 Co1 N2 93.73(5) . .
N4 Co1 N2 91.35(5) . .
O3 Co1 K1 49.07(3) . .
O1 Co1 K1 55.62(3) . .
N1 Co1 K1 59.21(4) . .
N3 Co1 K1 122.14(4) . .
N4 Co1 K1 134.86(4) . .
N2 Co1 K1 118.99(4) . .
O2 K1 O3 114.99(4) 6_665 .
O2 K1 O5 119.88(4) 6_665 .
O3 K1 O5 124.58(4) . .
O2 K1 O1 84.12(4) 6_665 .
O3 K1 O1 58.13(3) . .
O5 K1 O1 119.85(4) . .
O2 K1 N1 137.19(4) 6_665 .
O3 K1 N1 54.82(3) . .
O5 K1 N1 79.14(4) . .
O1 K1 N1 54.44(3) . .
O2 K1 C1 82.35(4) 6_665 .
O3 K1 C1 80.39(4) . .
O5 K1 C1 99.20(4) . .
O1 K1 C1 24.82(3) . .
N1 K1 C1 55.74(4) . .
O2 K1 C7 126.78(4) 6_665 .
O3 K1 C7 78.69(4) . .
O5 K1 C7 63.25(4) . .
O1 K1 C7 59.10(3) . .
N1 K1 C7 24.48(4) . .
C1 K1 C7 47.82(4) . .
O2 K1 C12 94.12(4) 6_665 .
O3 K1 C12 24.17(3) . .
O5 K1 C12 145.73(5) . .
O1 K1 C12 64.05(3) . .
N1 K1 C12 78.21(4) . .
C1 K1 C12 88.87(4) . .
C7 K1 C12 101.12(4) . .
O2 K1 C6 100.19(4) 6_665 .
O3 K1 C6 89.04(4) . .
O5 K1 C6 74.72(4) . .
O1 K1 C6 45.79(3) . .
N1 K1 C6 44.54(4) . .
C1 K1 C6 25.37(4) . .
C7 K1 C6 26.60(4) . .
C12 K1 C6 105.35(4) . .
O2 K1 C13 90.36(4) 6_665 .
O3 K1 C13 43.72(3) . .
O5 K1 C13 138.89(5) . .
O1 K1 C13 88.11(4) . .
N1 K1 C13 97.71(4) . .
C1 K1 C13 112.84(4) . .
C7 K1 C13 122.07(4) . .
C12 K1 C13 24.97(4) . .
C6 K1 C13 130.25(4) . .
O2 K1 C4 116.53(4) 6_665 2_545
O3 K1 C4 92.28(4) . 2_545
O5 K1 C4 70.51(4) . 2_545
O1 K1 C4 149.91(4) . 2_545
N1 K1 C4 105.80(4) . 2_545
C1 K1 C4 161.03(4) . 2_545
C7 K1 C4 113.72(4) . 2_545
C12 K1 C4 91.45(4) . 2_545
C6 K1 C4 138.41(4) . 2_545
C13 K1 C4 71.11(4) . 2_545
O2 K1 Co1 113.53(3) 6_665 .
O3 K1 Co1 32.28(2) . .
O5 K1 Co1 112.14(3) . .
O1 K1 Co1 32.94(2) . .
N1 K1 Co1 33.05(2) . .
C1 K1 Co1 50.10(3) . .
C7 K1 Co1 51.91(3) . .
C12 K1 Co1 50.30(3) . .
C6 K1 Co1 56.96(3) . .
C13 K1 Co1 74.17(3) . .
C4 K1 Co1 117.82(3) 2_545 .
O2 K1 H5A 125.6 6_665 .
O3 K1 H5A 115.3 . .
O5 K1 H5A 14.4 . .
O1 K1 H5A 106.0 . .
N1 K1 H5A 65.8 . .
C1 K1 H5A 86.8 . .
C7 K1 H5A 48.8 . .
C12 K1 H5A 138.9 . .
C6 K1 H5A 61.7 . .
C13 K1 H5A 141.9 . .
C4 K1 H5A 80.5 2_545 .
Co1 K1 H5A 98.5 . .
C1 O1 Co1 121.80(9) . .
C1 O1 K1 88.41(8) . .
Co1 O1 K1 91.44(4) . .
C7 O2 K1 140.38(11) . 6_565
C12 O3 Co1 124.45(9) . .
C12 O3 K1 99.58(8) . .
Co1 O3 K1 98.65(4) . .
C23 O5 K1 145.02(14) . .
C23 O5 H5A 106.5 . .
K1 O5 H5A 104.0 . .
C7 N1 C8 119.40(13) . .
C7 N1 Co1 129.63(10) . .
C8 N1 Co1 110.78(9) . .
C7 N1 K1 84.21(9) . .
C8 N1 K1 104.35(9) . .
Co1 N1 K1 87.74(4) . .
C9 N2 Co1 112.06(9) . .
C9 N2 H2A 109.2 . .
Co1 N2 H2A 109.2 . .
C9 N2 H2B 109.2 . .
Co1 N2 H2B 109.2 . .
H2A N2 H2B 107.9 . .
C18 N3 C19 118.16(13) . .
C18 N3 Co1 128.11(11) . .
C19 N3 Co1 112.16(9) . .
C20 N4 Co1 112.29(9) . .
C20 N4 H4A 109.1 . .
Co1 N4 H4A 109.1 . .
C20 N4 H4B 109.1 . .
Co1 N4 H4B 109.1 . .
H4A N4 H4B 107.9 . .
O1 C1 C2 117.80(13) . .
O1 C1 C6 125.00(14) . .
C2 C1 C6 117.14(14) . .
O1 C1 K1 66.77(8) . .
C2 C1 K1 121.73(10) . .
C6 C1 K1 82.90(9) . .
C3 C2 C1 121.75(15) . .
C3 C2 H2 119.1 . .
C1 C2 H2 119.1 . .
C2 C3 C4 120.57(15) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 119.09(15) . .
C5 C4 K1 117.73(11) . 2
C3 C4 K1 89.33(10) . 2
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
K1 C4 H4 63.4 2 .
C4 C5 C6 121.82(15) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 119.60(14) . .
C5 C6 C7 116.96(14) . .
C1 C6 C7 123.11(13) . .
C5 C6 K1 124.83(11) . .
C1 C6 K1 71.74(8) . .
C7 C6 K1 72.03(8) . .
O2 C7 N1 123.77(14) . .
O2 C7 C6 118.62(13) . .
N1 C7 C6 117.50(13) . .
O2 C7 K1 114.11(10) . .
N1 C7 K1 71.31(8) . .
C6 C7 K1 81.37(8) . .
N1 C8 C9 107.21(12) . .
N1 C8 H8A 110.3 . .
C9 C8 H8A 110.3 . .
N1 C8 H8B 110.3 . .
C9 C8 H8B 110.3 . .
H8A C8 H8B 108.5 . .
N2 C9 C8 105.21(12) . .
N2 C9 C10 110.65(13) . .
C8 C9 C10 109.54(13) . .
N2 C9 C11 109.84(13) . .
C8 C9 C11 111.54(14) . .
C10 C9 C11 109.97(14) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O3 C12 C17 125.98(13) . .
O3 C12 C13 115.95(14) . .
C17 C12 C13 118.06(14) . .
O3 C12 K1 56.24(7) . .
C17 C12 K1 130.74(10) . .
C13 C12 K1 83.69(9) . .
C14 C13 C12 121.62(16) . .
C14 C13 K1 135.72(11) . .
C12 C13 K1 71.35(8) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
K1 C13 H13 66.0 . .
C13 C14 C15 120.27(15) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C16 C15 C14 118.78(15) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C15 C16 C17 122.55(16) . .
C15 C16 H16 118.7 . .
C17 C16 H16 118.7 . .
C16 C17 C12 118.70(14) . .
C16 C17 C18 117.33(14) . .
C12 C17 C18 123.77(13) . .
O4 C18 N3 124.02(14) . .
O4 C18 C17 118.25(14) . .
N3 C18 C17 117.62(13) . .
N3 C19 C20 109.06(12) . .
N3 C19 H19A 109.9 . .
C20 C19 H19A 109.9 . .
N3 C19 H19B 109.9 . .
C20 C19 H19B 109.9 . .
H19A C19 H19B 108.3 . .
N4 C20 C19 104.81(12) . .
N4 C20 C22 109.78(12) . .
C19 C20 C22 110.95(13) . .
N4 C20 C21 109.55(12) . .
C19 C20 C21 110.40(13) . .
C22 C20 C21 111.16(13) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O5 C23 H23A 109.5 . .
O5 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O5 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 1.8988(11) .
Co1 O1 1.9122(11) .
Co1 N1 1.9187(12) .
Co1 N3 1.9223(13) .
Co1 N4 1.9661(13) .
Co1 N2 1.9807(13) .
Co1 K1 3.5153(4) .
K1 O2 2.5474(12) 6_665
K1 O3 2.6865(11) .
K1 O5 2.7641(15) .
K1 O1 2.9022(11) .
K1 N1 3.0220(13) .
K1 C1 3.1571(15) .
K1 C7 3.1740(15) .
K1 C12 3.1862(15) .
K1 C6 3.2990(16) .
K1 C13 3.3424(16) .
K1 C4 3.4170(17) 2_545
K1 H5A 3.0492 .
O1 C1 1.3260(18) .
O2 C7 1.2724(18) .
O2 K1 2.5475(12) 6_565
O3 C12 1.3232(18) .
O4 C18 1.2654(19) .
O5 C23 1.415(2) .
O5 H5A 0.7823 .
N1 C7 1.322(2) .
N1 C8 1.4637(19) .
N2 C9 1.5156(19) .
N2 H2A 0.9200 .
N2 H2B 0.9200 .
N3 C18 1.327(2) .
N3 C19 1.4672(19) .
N4 C20 1.5121(19) .
N4 H4A 0.9200 .
N4 H4B 0.9200 .
C1 C2 1.420(2) .
C1 C6 1.424(2) .
C2 C3 1.384(2) .
C2 H2 0.9500 .
C3 C4 1.391(2) .
C3 H3 0.9500 .
C4 C5 1.382(2) .
C4 K1 3.4171(17) 2
C4 H4 0.9500 .
C5 C6 1.406(2) .
C5 H5 0.9500 .
C6 C7 1.494(2) .
C8 C9 1.522(2) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.522(2) .
C9 C11 1.524(2) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C17 1.416(2) .
C12 C13 1.419(2) .
C13 C14 1.384(2) .
C13 H13 0.9500 .
C14 C15 1.393(3) .
C14 H14 0.9500 .
C15 C16 1.386(2) .
C15 H15 0.9500 .
C16 C17 1.403(2) .
C16 H16 0.9500 .
C17 C18 1.503(2) .
C19 C20 1.526(2) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C22 1.527(2) .
C20 C21 1.527(2) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
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
O5 H5A O2 0.782 2.045 2.785(2) 157.80 1_555
N2 H2B O4 0.920 1.947 2.845(2) 164.99 8_556
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
O3 Co1 K1 O2 -100.00(5) . 6_665
O1 Co1 K1 O2 28.68(5) . 6_665
N1 Co1 K1 O2 142.95(5) . 6_665
N3 Co1 K1 O2 -39.22(6) . 6_665
N4 Co1 K1 O2 78.84(6) . 6_665
N2 Co1 K1 O2 -155.06(5) . 6_665
O1 Co1 K1 O3 128.68(6) . .
N1 Co1 K1 O3 -117.05(6) . .
N3 Co1 K1 O3 60.78(6) . .
N4 Co1 K1 O3 178.84(7) . .
N2 Co1 K1 O3 -55.06(6) . .
O3 Co1 K1 O5 120.21(6) . .
O1 Co1 K1 O5 -111.11(5) . .
N1 Co1 K1 O5 3.15(6) . .
N3 Co1 K1 O5 -179.01(6) . .
N4 Co1 K1 O5 -60.95(7) . .
N2 Co1 K1 O5 65.14(6) . .
O3 Co1 K1 O1 -128.68(6) . .
N1 Co1 K1 O1 114.26(6) . .
N3 Co1 K1 O1 -67.90(6) . .
N4 Co1 K1 O1 50.16(7) . .
N2 Co1 K1 O1 176.25(6) . .
O3 Co1 K1 N1 117.05(6) . .
O1 Co1 K1 N1 -114.26(6) . .
N3 Co1 K1 N1 177.84(6) . .
N4 Co1 K1 N1 -64.11(7) . .
N2 Co1 K1 N1 61.99(6) . .
O3 Co1 K1 C1 -156.41(6) . .
O1 Co1 K1 C1 -27.72(5) . .
N1 Co1 K1 C1 86.54(6) . .
N3 Co1 K1 C1 -95.62(6) . .
N4 Co1 K1 C1 22.43(7) . .
N2 Co1 K1 C1 148.53(6) . .
O3 Co1 K1 C7 140.76(6) . .
O1 Co1 K1 C7 -90.56(5) . .
N1 Co1 K1 C7 23.71(6) . .
N3 Co1 K1 C7 -158.46(6) . .
N4 Co1 K1 C7 -40.40(7) . .
N2 Co1 K1 C7 85.70(5) . .
O3 Co1 K1 C12 -25.05(5) . .
O1 Co1 K1 C12 103.63(5) . .
N1 Co1 K1 C12 -142.10(6) . .
N3 Co1 K1 C12 35.73(6) . .
N4 Co1 K1 C12 153.79(7) . .
N2 Co1 K1 C12 -80.11(5) . .
O3 Co1 K1 C6 173.04(5) . .
O1 Co1 K1 C6 -58.28(5) . .
N1 Co1 K1 C6 55.99(5) . .
N3 Co1 K1 C6 -126.18(6) . .
N4 Co1 K1 C6 -8.12(6) . .
N2 Co1 K1 C6 117.98(5) . .
O3 Co1 K1 C13 -16.69(5) . .
O1 Co1 K1 C13 112.00(5) . .
N1 Co1 K1 C13 -133.74(5) . .
N3 Co1 K1 C13 44.10(5) . .
N4 Co1 K1 C13 162.15(6) . .
N2 Co1 K1 C13 -71.75(5) . .
O3 Co1 K1 C4 41.31(5) . 2_545
O1 Co1 K1 C4 169.99(5) . 2_545
N1 Co1 K1 C4 -75.74(5) . 2_545
N3 Co1 K1 C4 102.09(6) . 2_545
N4 Co1 K1 C4 -139.85(6) . 2_545
N2 Co1 K1 C4 -13.76(5) . 2_545
O3 Co1 O1 C1 125.17(11) . .
N1 Co1 O1 C1 37.47(11) . .
N3 Co1 O1 C1 -142.71(11) . .
N4 Co1 O1 C1 -58.00(11) . .
N2 Co1 O1 C1 57.4(5) . .
K1 Co1 O1 C1 89.02(11) . .
O3 Co1 O1 K1 36.15(4) . .
N1 Co1 O1 K1 -51.55(4) . .
N3 Co1 O1 K1 128.27(4) . .
N4 Co1 O1 K1 -147.02(4) . .
N2 Co1 O1 K1 -31.6(5) . .
O2 K1 O1 C1 84.47(8) 6_665 .
O3 K1 O1 C1 -151.18(9) . .
O5 K1 O1 C1 -36.74(9) . .
N1 K1 O1 C1 -84.11(8) . .
C7 K1 O1 C1 -55.26(8) . .
C12 K1 O1 C1 -178.03(9) . .
C6 K1 O1 C1 -25.90(8) . .
C13 K1 O1 C1 175.03(8) . .
C4 K1 O1 C1 -139.64(9) 2_545 .
Co1 K1 O1 C1 -121.78(9) . .
O2 K1 O1 Co1 -153.74(4) 6_665 .
O3 K1 O1 Co1 -29.40(3) . .
O5 K1 O1 Co1 85.04(5) . .
N1 K1 O1 Co1 37.68(4) . .
C1 K1 O1 Co1 121.78(9) . .
C7 K1 O1 Co1 66.52(4) . .
C12 K1 O1 Co1 -56.25(4) . .
C6 K1 O1 Co1 95.88(5) . .
C13 K1 O1 Co1 -63.19(4) . .
C4 K1 O1 Co1 -17.86(9) 2_545 .
O1 Co1 O3 C12 67.85(11) . .
N1 Co1 O3 C12 157.94(11) . .
N3 Co1 O3 C12 -24.34(12) . .
N4 Co1 O3 C12 -60.2(8) . .
N2 Co1 O3 C12 -117.95(11) . .
K1 Co1 O3 C12 107.97(12) . .
O1 Co1 O3 K1 -40.12(4) . .
N1 Co1 O3 K1 49.96(5) . .
N3 Co1 O3 K1 -132.31(5) . .
N4 Co1 O3 K1 -168.2(7) . .
N2 Co1 O3 K1 134.07(5) . .
O2 K1 O3 C12 -32.33(9) 6_665 .
O5 K1 O3 C12 156.24(8) . .
O1 K1 O3 C12 -97.31(9) . .
N1 K1 O3 C12 -163.76(10) . .
C1 K1 O3 C12 -109.15(9) . .
C7 K1 O3 C12 -157.81(9) . .
C6 K1 O3 C12 -133.13(9) . .
C13 K1 O3 C12 29.14(8) . .
C4 K1 O3 C12 88.46(9) 2_545 .
Co1 K1 O3 C12 -127.30(10) . .
O2 K1 O3 Co1 94.97(5) 6_665 .
O5 K1 O3 Co1 -76.46(6) . .
O1 K1 O3 Co1 29.99(3) . .
N1 K1 O3 Co1 -36.46(4) . .
C1 K1 O3 Co1 18.14(4) . .
C7 K1 O3 Co1 -30.51(4) . .
C12 K1 O3 Co1 127.30(10) . .
C6 K1 O3 Co1 -5.83(4) . .
C13 K1 O3 Co1 156.44(7) . .
C4 K1 O3 Co1 -144.25(5) 2_545 .
O2 K1 O5 C23 32.6(2) 6_665 .
O3 K1 O5 C23 -156.4(2) . .
O1 K1 O5 C23 133.8(2) . .
N1 K1 O5 C23 171.3(2) . .
C1 K1 O5 C23 119.0(2) . .
C7 K1 O5 C23 151.5(2) . .
C12 K1 O5 C23 -139.3(2) . .
C6 K1 O5 C23 125.7(2) . .
C13 K1 O5 C23 -99.4(2) . .
C4 K1 O5 C23 -77.5(2) 2_545 .
Co1 K1 O5 C23 169.6(2) . .
O3 Co1 N1 C7 -122.91(14) . .
O1 Co1 N1 C7 -31.78(14) . .
N3 Co1 N1 C7 152.8(13) . .
N4 Co1 N1 C7 59.59(14) . .
N2 Co1 N1 C7 150.37(14) . .
K1 Co1 N1 C7 -80.58(13) . .
O3 Co1 N1 C8 62.17(10) . .
O1 Co1 N1 C8 153.30(10) . .
N3 Co1 N1 C8 -22.1(14) . .
N4 Co1 N1 C8 -115.34(10) . .
N2 Co1 N1 C8 -24.56(10) . .
K1 Co1 N1 C8 104.50(10) . .
O3 Co1 N1 K1 -42.33(4) . .
O1 Co1 N1 K1 48.80(4) . .
N3 Co1 N1 K1 -126.6(14) . .
N4 Co1 N1 K1 140.17(4) . .
N2 Co1 N1 K1 -129.05(5) . .
O2 K1 N1 C7 75.82(10) 6_665 .
O3 K1 N1 C7 165.79(10) . .
O5 K1 N1 C7 -46.82(9) . .
O1 K1 N1 C7 92.67(9) . .
C1 K1 N1 C7 62.32(9) . .
C12 K1 N1 C7 159.08(9) . .
C6 K1 N1 C7 32.38(8) . .
C13 K1 N1 C7 174.75(9) . .
C4 K1 N1 C7 -112.78(9) 2_545 .
Co1 K1 N1 C7 130.21(10) . .
O2 K1 N1 C8 -165.28(8) 6_665 .
O3 K1 N1 C8 -75.30(9) . .
O5 K1 N1 C8 72.09(9) . .
O1 K1 N1 C8 -148.43(10) . .
C1 K1 N1 C8 -178.77(10) . .
C7 K1 N1 C8 118.91(13) . .
C12 K1 N1 C8 -82.02(9) . .
C6 K1 N1 C8 151.29(11) . .
C13 K1 N1 C8 -66.34(9) . .
C4 K1 N1 C8 6.13(9) 2_545 .
Co1 K1 N1 C8 -110.88(10) . .
O2 K1 N1 Co1 -54.40(7) 6_665 .
O3 K1 N1 Co1 35.58(4) . .
O5 K1 N1 Co1 -177.03(5) . .
O1 K1 N1 Co1 -37.54(4) . .
C1 K1 N1 Co1 -67.89(5) . .
C7 K1 N1 Co1 -130.21(10) . .
C12 K1 N1 Co1 28.87(4) . .
C6 K1 N1 Co1 -97.83(6) . .
C13 K1 N1 Co1 44.54(5) . .
C4 K1 N1 Co1 117.01(4) 2_545 .
O3 Co1 N2 C9 -90.84(10) . .
O1 Co1 N2 C9 -22.9(5) . .
N1 Co1 N2 C9 -2.79(10) . .
N3 Co1 N2 C9 177.31(10) . .
N4 Co1 N2 C9 92.56(10) . .
K1 Co1 N2 C9 -52.48(10) . .
O3 Co1 N3 C18 31.90(14) . .
O1 Co1 N3 C18 -59.31(13) . .
N1 Co1 N3 C18 116.1(14) . .
N4 Co1 N3 C18 -150.46(14) . .
N2 Co1 N3 C18 118.53(13) . .
K1 Co1 N3 C18 -9.38(15) . .
O3 Co1 N3 C19 -162.83(10) . .
O1 Co1 N3 C19 105.95(10) . .
N1 Co1 N3 C19 -78.7(14) . .
N4 Co1 N3 C19 14.80(10) . .
N2 Co1 N3 C19 -76.21(11) . .
K1 Co1 N3 C19 155.88(8) . .
O3 Co1 N4 C20 47.2(8) . .
O1 Co1 N4 C20 -80.85(10) . .
N1 Co1 N4 C20 -171.11(10) . .
N3 Co1 N4 C20 11.18(10) . .
N2 Co1 N4 C20 104.80(10) . .
K1 Co1 N4 C20 -120.19(9) . .
Co1 O1 C1 C2 154.42(11) . .
K1 O1 C1 C2 -114.88(13) . .
Co1 O1 C1 C6 -28.4(2) . .
K1 O1 C1 C6 62.30(14) . .
Co1 O1 C1 K1 -90.70(8) . .
O2 K1 C1 O1 -92.54(8) 6_665 .
O3 K1 C1 O1 24.53(8) . .
O5 K1 C1 O1 148.29(8) . .
N1 K1 C1 O1 78.25(8) . .
C7 K1 C1 O1 107.93(9) . .
C12 K1 C1 O1 1.77(8) . .
C6 K1 C1 O1 133.04(13) . .
C13 K1 C1 O1 -5.39(9) . .
C4 K1 C1 O1 92.92(14) 2_545 .
Co1 K1 C1 O1 37.05(7) . .
O2 K1 C1 C2 16.81(12) 6_665 .
O3 K1 C1 C2 133.89(12) . .
O5 K1 C1 C2 -102.36(12) . .
O1 K1 C1 C2 109.35(15) . .
N1 K1 C1 C2 -172.40(13) . .
C7 K1 C1 C2 -142.72(14) . .
C12 K1 C1 C2 111.12(12) . .
C6 K1 C1 C2 -117.61(16) . .
C13 K1 C1 C2 103.96(12) . .
C4 K1 C1 C2 -157.73(12) 2_545 .
Co1 K1 C1 C2 146.40(13) . .
O2 K1 C1 C6 134.42(9) 6_665 .
O3 K1 C1 C6 -108.51(9) . .
O5 K1 C1 C6 15.25(9) . .
O1 K1 C1 C6 -133.04(13) . .
N1 K1 C1 C6 -54.79(8) . .
C7 K1 C1 C6 -25.11(8) . .
C12 K1 C1 C6 -131.27(9) . .
C13 K1 C1 C6 -138.43(8) . .
C4 K1 C1 C6 -40.12(17) 2_545 .
Co1 K1 C1 C6 -95.99(9) . .
O1 C1 C2 C3 176.39(14) . .
C6 C1 C2 C3 -1.0(2) . .
K1 C1 C2 C3 97.83(16) . .
C1 C2 C3 C4 -0.1(2) . .
C2 C3 C4 C5 0.3(3) . .
C2 C3 C4 K1 122.06(15) . 2
C3 C4 C5 C6 0.6(3) . .
K1 C4 C5 C6 -105.53(16) 2 .
C4 C5 C6 C1 -1.7(2) . .
C4 C5 C6 C7 -175.27(15) . .
C4 C5 C6 K1 -89.17(18) . .
O1 C1 C6 C5 -175.35(14) . .
C2 C1 C6 C5 1.8(2) . .
K1 C1 C6 C5 -120.28(14) . .
O1 C1 C6 C7 -2.2(2) . .
C2 C1 C6 C7 175.03(14) . .
K1 C1 C6 C7 52.91(14) . .
O1 C1 C6 K1 -55.07(13) . .
C2 C1 C6 K1 122.12(13) . .
O2 K1 C6 C5 67.84(13) 6_665 .
O3 K1 C6 C5 -176.92(13) . .
O5 K1 C6 C5 -50.55(13) . .
O1 K1 C6 C5 139.18(15) . .
N1 K1 C6 C5 -140.50(15) . .
C1 K1 C6 C5 113.83(17) . .
C7 K1 C6 C5 -110.79(16) . .
C12 K1 C6 C5 165.03(12) . .
C13 K1 C6 C5 167.07(12) . .
C4 K1 C6 C5 -84.57(14) 2_545 .
Co1 K1 C6 C5 179.37(14) . .
O2 K1 C6 C1 -45.99(9) 6_665 .
O3 K1 C6 C1 69.25(9) . .
O5 K1 C6 C1 -164.39(10) . .
O1 K1 C6 C1 25.35(8) . .
N1 K1 C6 C1 105.67(10) . .
C7 K1 C6 C1 135.38(13) . .
C12 K1 C6 C1 51.19(9) . .
C13 K1 C6 C1 53.24(10) . .
C4 K1 C6 C1 161.60(8) 2_545 .
Co1 K1 C6 C1 65.54(8) . .
O2 K1 C6 C7 178.63(8) 6_665 .
O3 K1 C6 C7 -66.13(8) . .
O5 K1 C6 C7 60.24(9) . .
O1 K1 C6 C7 -110.03(9) . .
N1 K1 C6 C7 -29.71(8) . .
C1 K1 C6 C7 -135.38(13) . .
C12 K1 C6 C7 -84.19(8) . .
C13 K1 C6 C7 -82.14(9) . .
C4 K1 C6 C7 26.22(11) 2_545 .
Co1 K1 C6 C7 -69.84(8) . .
K1 O2 C7 N1 94.0(2) 6_565 .
K1 O2 C7 C6 -89.82(19) 6_565 .
K1 O2 C7 K1 176.91(9) 6_565 .
C8 N1 C7 O2 3.8(2) . .
Co1 N1 C7 O2 -170.77(12) . .
K1 N1 C7 O2 107.01(15) . .
C8 N1 C7 C6 -172.46(13) . .
Co1 N1 C7 C6 13.0(2) . .
K1 N1 C7 C6 -69.23(12) . .
C8 N1 C7 K1 -103.23(12) . .
Co1 N1 C7 K1 82.22(11) . .
C5 C6 C7 O2 7.7(2) . .
C1 C6 C7 O2 -165.60(14) . .
K1 C6 C7 O2 -112.82(14) . .
C5 C6 C7 N1 -175.81(14) . .
C1 C6 C7 N1 10.8(2) . .
K1 C6 C7 N1 63.62(12) . .
C5 C6 C7 K1 120.57(13) . .
C1 C6 C7 K1 -52.78(14) . .
O2 K1 C7 O2 115.90(10) 6_665 .
O3 K1 C7 O2 -131.24(11) . .
O5 K1 C7 O2 7.25(10) . .
O1 K1 C7 O2 169.28(12) . .
N1 K1 C7 O2 -119.44(15) . .
C1 K1 C7 O2 141.54(13) . .
C12 K1 C7 O2 -140.31(11) . .
C6 K1 C7 O2 117.58(15) . .
C13 K1 C7 O2 -125.58(10) . .
C4 K1 C7 O2 -43.74(12) 2_545 .
Co1 K1 C7 O2 -151.39(12) . .
O2 K1 C7 N1 -124.66(8) 6_665 .
O3 K1 C7 N1 -11.80(8) . .
O5 K1 C7 N1 126.69(10) . .
O1 K1 C7 N1 -71.28(8) . .
C1 K1 C7 N1 -99.02(9) . .
C12 K1 C7 N1 -20.87(9) . .
C6 K1 C7 N1 -122.98(13) . .
C13 K1 C7 N1 -6.14(10) . .
C4 K1 C7 N1 75.70(9) 2_545 .
Co1 K1 C7 N1 -31.95(7) . .
O2 K1 C7 C6 -1.68(10) 6_665 .
O3 K1 C7 C6 111.18(8) . .
O5 K1 C7 C6 -110.33(9) . .
O1 K1 C7 C6 51.70(8) . .
N1 K1 C7 C6 122.98(13) . .
C1 K1 C7 C6 23.96(8) . .
C12 K1 C7 C6 102.11(8) . .
C13 K1 C7 C6 116.84(8) . .
C4 K1 C7 C6 -161.32(8) 2_545 .
Co1 K1 C7 C6 91.03(8) . .
C7 N1 C8 C9 -128.99(14) . .
Co1 N1 C8 C9 46.52(14) . .
K1 N1 C8 C9 139.59(10) . .
Co1 N2 C9 C8 27.57(14) . .
Co1 N2 C9 C10 -90.65(13) . .
Co1 N2 C9 C11 147.75(11) . .
N1 C8 C9 N2 -46.39(15) . .
N1 C8 C9 C10 72.58(16) . .
N1 C8 C9 C11 -165.43(13) . .
Co1 O3 C12 C17 11.5(2) . .
K1 O3 C12 C17 118.99(14) . .
Co1 O3 C12 C13 -169.32(10) . .
K1 O3 C12 C13 -61.81(13) . .
Co1 O3 C12 K1 -107.51(10) . .
O2 K1 C12 O3 150.93(9) 6_665 .
O5 K1 C12 O3 -36.09(12) . .
O1 K1 C12 O3 69.51(8) . .
N1 K1 C12 O3 13.50(8) . .
C1 K1 C12 O3 68.68(9) . .
C7 K1 C12 O3 22.18(9) . .
C6 K1 C12 O3 49.18(9) . .
C13 K1 C12 O3 -127.12(14) . .
C4 K1 C12 O3 -92.34(9) 2_545 .
Co1 K1 C12 O3 33.51(7) . .
O2 K1 C12 C17 40.01(13) 6_665 .
O3 K1 C12 C17 -110.92(17) . .
O5 K1 C12 C17 -147.01(12) . .
O1 K1 C12 C17 -41.41(12) . .
N1 K1 C12 C17 -97.42(13) . .
C1 K1 C12 C17 -42.24(13) . .
C7 K1 C12 C17 -88.74(13) . .
C6 K1 C12 C17 -61.74(14) . .
C13 K1 C12 C17 121.96(18) . .
C4 K1 C12 C17 156.74(13) 2_545 .
Co1 K1 C12 C17 -77.40(13) . .
O2 K1 C12 C13 -81.95(9) 6_665 .
O3 K1 C12 C13 127.12(14) . .
O5 K1 C12 C13 91.03(11) . .
O1 K1 C12 C13 -163.37(10) . .
N1 K1 C12 C13 140.62(9) . .
C1 K1 C12 C13 -164.20(9) . .
C7 K1 C12 C13 149.30(9) . .
C6 K1 C12 C13 176.30(9) . .
C4 K1 C12 C13 34.78(9) 2_545 .
Co1 K1 C12 C13 160.64(10) . .
O3 C12 C13 C14 -179.69(14) . .
C17 C12 C13 C14 -0.4(2) . .
K1 C12 C13 C14 132.81(14) . .
O3 C12 C13 K1 47.50(10) . .
C17 C12 C13 K1 -133.24(13) . .
O2 K1 C13 C14 -17.49(17) 6_665 .
O3 K1 C13 C14 -144.71(18) . .
O5 K1 C13 C14 122.39(16) . .
O1 K1 C13 C14 -101.59(16) . .
N1 K1 C13 C14 -155.32(16) . .
C1 K1 C13 C14 -99.33(16) . .
C7 K1 C13 C14 -152.76(15) . .
C12 K1 C13 C14 -116.5(2) . .
C6 K1 C13 C14 -121.19(16) . .
C4 K1 C13 C14 100.55(17) 2_545 .
Co1 K1 C13 C14 -131.89(17) . .
O2 K1 C13 C12 99.03(9) 6_665 .
O3 K1 C13 C12 -28.20(8) . .
O5 K1 C13 C12 -121.10(10) . .
O1 K1 C13 C12 14.92(9) . .
N1 K1 C13 C12 -38.81(9) . .
C1 K1 C13 C12 17.18(10) . .
C7 K1 C13 C12 -36.24(10) . .
C6 K1 C13 C12 -4.68(11) . .
C4 K1 C13 C12 -142.94(10) 2_545 .
Co1 K1 C13 C12 -15.38(8) . .
C12 C13 C14 C15 -0.8(2) . .
K1 C13 C14 C15 94.58(19) . .
C13 C14 C15 C16 0.7(2) . .
C14 C15 C16 C17 0.5(3) . .
C15 C16 C17 C12 -1.7(2) . .
C15 C16 C17 C18 173.29(15) . .
O3 C12 C17 C16 -179.19(14) . .
C13 C12 C17 C16 1.6(2) . .
K1 C12 C17 C16 -105.50(15) . .
O3 C12 C17 C18 6.1(2) . .
C13 C12 C17 C18 -173.03(13) . .
K1 C12 C17 C18 79.83(17) . .
C19 N3 C18 O4 -4.3(2) . .
Co1 N3 C18 O4 160.16(12) . .
C19 N3 C18 C17 171.86(13) . .
Co1 N3 C18 C17 -23.6(2) . .
C16 C17 C18 O4 1.5(2) . .
C12 C17 C18 O4 176.27(14) . .
C16 C17 C18 N3 -174.89(14) . .
C12 C17 C18 N3 -0.2(2) . .
C18 N3 C19 C20 129.50(14) . .
Co1 N3 C19 C20 -37.38(15) . .
Co1 N4 C20 C19 -32.60(14) . .
Co1 N4 C20 C22 -151.82(11) . .
Co1 N4 C20 C21 85.86(13) . .
N3 C19 C20 N4 43.94(16) . .
N3 C19 C20 C22 162.37(13) . .
N3 C19 C20 C21 -73.94(16) . .
