#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/68/1516870.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_1516870
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+, C26 H32 Co N4 O4 1-, 3(C H4 O) '
_chemical_formula_sum            'C29 H44 Co K N4 O7'
_chemical_formula_weight         658.71
_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                112.839(3)
_cell_angle_beta                 90.103(4)
_cell_angle_gamma                116.275(4)
_cell_formula_units_Z            2
_cell_length_a                   12.2392(13)
_cell_length_b                   12.3153(14)
_cell_length_c                   12.7357(12)
_cell_measurement_reflns_used    11559
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.99
_cell_volume                     1550.9(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'ortep-3 for win'
_computing_publication_material  'CrystalStructure 4.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS 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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15129
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  0.8664
_exptl_absorpt_correction_T_min  0.7566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
   Higashi, T. (1995). Program for Absorption Correction.
   Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.773
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         7036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0511
_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)+(0.0499P)²+2.6093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1322
_refine_ls_wR_factor_ref         0.1359
_reflns_number_gt                6223
_reflns_number_total             7036
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-399-131-137-4.cif
_cod_data_source_block           K[3]_3CH3OH
_cod_original_cell_volume        1551.0(3)
_cod_database_code               1516870
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 0.04983(3) 0.39138(3) 0.21230(3) 0.02186(11) Uani 1 1 d .
K1 K -0.02973(7) 0.05363(7) 0.16892(6) 0.03789(17) Uani 1 1 d .
O1 O -0.05142(19) 0.21874(19) 0.08862(17) 0.0288(4) Uani 1 1 d .
O2 O 0.2026(4) 0.4546(3) -0.0567(2) 0.0911(14) Uani 1 1 d .
O3 O 0.16961(18) 0.3362(2) 0.22475(17) 0.0268(4) Uani 1 1 d .
O4 O -0.03087(19) 0.3307(2) 0.50112(17) 0.0288(4) Uani 1 1 d .
O5 O -0.1880(3) -0.0621(3) 0.2860(2) 0.0571(8) Uani 1 1 d .
O6 O -0.1871(2) -0.1665(2) -0.0201(2) 0.0426(6) Uani 1 1 d .
O7 O 0.3000(3) 0.3328(3) -0.2102(2) 0.0621(8) Uani 1 1 d .
H7A H 0.249(4) 0.364(4) -0.178(3) 0.040(11) Uiso 1 1 d .
N1 N 0.1373(2) 0.4701(2) 0.1116(2) 0.0257(5) Uani 1 1 d .
N2 N 0.1603(2) 0.5642(2) 0.34140(19) 0.0239(5) Uani 1 1 d .
H2A H 0.1148 0.5905 0.3933 0.029 Uiso 1 1 calc R
H2B H 0.2181 0.5564 0.3799 0.029 Uiso 1 1 calc R
N3 N -0.0389(2) 0.3220(2) 0.3179(2) 0.0236(5) Uani 1 1 d .
N4 N -0.0780(2) 0.4437(2) 0.2051(2) 0.0296(5) Uani 1 1 d .
H4A H -0.0558 0.5262 0.2655 0.035 Uiso 1 1 calc R
H4B H -0.0893 0.4482 0.1358 0.035 Uiso 1 1 calc R
C1 C -0.0672(3) 0.1909(3) -0.0226(2) 0.0291(6) Uani 1 1 d .
C2 C -0.1702(3) 0.0669(3) -0.0994(3) 0.0409(8) Uani 1 1 d .
H2 H -0.2282 0.0129 -0.0676 0.049 Uiso 1 1 calc R
C3 C -0.1886(4) 0.0224(4) -0.2180(3) 0.0546(11) Uani 1 1 d .
H3 H -0.2579 -0.0618 -0.2671 0.065 Uiso 1 1 calc R
C4 C -0.1059(5) 0.1006(4) -0.2661(3) 0.0636(13) Uani 1 1 d .
H4 H -0.1168 0.0696 -0.3483 0.076 Uiso 1 1 calc R
C5 C -0.0079(4) 0.2238(4) -0.1932(3) 0.0511(10) Uani 1 1 d .
H5 H 0.0473 0.2779 -0.2265 0.061 Uiso 1 1 calc R
C6 C 0.0136(3) 0.2726(3) -0.0711(3) 0.0344(7) Uani 1 1 d .
C7 C 0.1247(3) 0.4067(3) -0.0014(3) 0.0365(7) Uani 1 1 d .
C8 C 0.2500(3) 0.6005(3) 0.1799(2) 0.0317(6) Uani 1 1 d .
H8 H 0.3174 0.5797 0.1939 0.038 Uiso 1 1 calc R
C9 C 0.3034(4) 0.7035(4) 0.1308(3) 0.0590(12) Uani 1 1 d .
H9A H 0.2410 0.7307 0.1194 0.071 Uiso 1 1 calc R
H9B H 0.3218 0.6627 0.0540 0.071 Uiso 1 1 calc R
C10 C 0.4223(4) 0.8272(4) 0.2127(3) 0.0581(12) Uani 1 1 d .
H10A H 0.4521 0.8943 0.1806 0.070 Uiso 1 1 calc R
H10B H 0.4875 0.8012 0.2165 0.070 Uiso 1 1 calc R
C11 C 0.4035(4) 0.8917(4) 0.3364(3) 0.0535(10) Uani 1 1 d .
H11A H 0.4850 0.9641 0.3884 0.064 Uiso 1 1 calc R
H11B H 0.3496 0.9321 0.3353 0.064 Uiso 1 1 calc R
C12 C 0.3433(3) 0.7862(3) 0.3832(3) 0.0378(7) Uani 1 1 d .
H12A H 0.4026 0.7558 0.3956 0.045 Uiso 1 1 calc R
H12B H 0.3232 0.8266 0.4592 0.045 Uiso 1 1 calc R
C13 C 0.2247(3) 0.6663(3) 0.2979(3) 0.0329(6) Uani 1 1 d .
H13 H 0.1668 0.7001 0.2869 0.039 Uiso 1 1 calc R
C14 C 0.2080(3) 0.3370(3) 0.3232(2) 0.0243(5) Uani 1 1 d .
C15 C 0.3261(3) 0.3462(3) 0.3391(3) 0.0303(6) Uani 1 1 d .
H15 H 0.3759 0.3578 0.2832 0.036 Uiso 1 1 calc R
C16 C 0.3712(3) 0.3388(3) 0.4337(3) 0.0356(7) Uani 1 1 d .
H16 H 0.4512 0.3451 0.4422 0.043 Uiso 1 1 calc R
C17 C 0.3004(3) 0.3222(3) 0.5170(3) 0.0369(7) Uani 1 1 d .
H17 H 0.3299 0.3137 0.5809 0.044 Uiso 1 1 calc R
C18 C 0.1867(3) 0.3184(3) 0.5052(3) 0.0306(6) Uani 1 1 d .
H18 H 0.1389 0.3084 0.5628 0.037 Uiso 1 1 calc R
C19 C 0.1389(3) 0.3287(3) 0.4115(2) 0.0242(5) Uani 1 1 d .
C20 C 0.0152(3) 0.3281(2) 0.4121(2) 0.0232(5) Uani 1 1 d .
C21 C -0.1587(3) 0.3231(3) 0.3211(2) 0.0253(5) Uani 1 1 d .
H21 H -0.1473 0.4031 0.3925 0.030 Uiso 1 1 calc R
C22 C -0.2681(3) 0.1980(3) 0.3205(3) 0.0322(6) Uani 1 1 d .
H22A H -0.2486 0.1838 0.3880 0.039 Uiso 1 1 calc R
H22B H -0.2843 0.1179 0.2483 0.039 Uiso 1 1 calc R
C23 C -0.3834(3) 0.2184(4) 0.3271(3) 0.0392(7) Uani 1 1 d .
H23A H -0.4553 0.1377 0.3264 0.047 Uiso 1 1 calc R
H23B H -0.3676 0.2960 0.4014 0.047 Uiso 1 1 calc R
C24 C -0.4156(3) 0.2431(4) 0.2258(3) 0.0383(7) Uani 1 1 d .
H24A H -0.4869 0.2614 0.2357 0.046 Uiso 1 1 calc R
H24B H -0.4407 0.1616 0.1519 0.046 Uiso 1 1 calc R
C25 C -0.3042(3) 0.3623(3) 0.2196(3) 0.0332(6) Uani 1 1 d .
H25A H -0.3241 0.3720 0.1494 0.040 Uiso 1 1 calc R
H25B H -0.2851 0.4462 0.2891 0.040 Uiso 1 1 calc R
C26 C -0.1926(3) 0.3385(3) 0.2145(2) 0.0265(5) Uani 1 1 d .
H26 H -0.2160 0.2522 0.1445 0.032 Uiso 1 1 calc R
C27 C -0.1687(5) -0.0176(4) 0.4078(3) 0.0694(14) Uani 1 1 d .
H27A H -0.2410 -0.0781 0.4274 0.083 Uiso 1 1 calc R
H27B H -0.1581 0.0736 0.4454 0.083 Uiso 1 1 calc R
H27C H -0.0938 -0.0173 0.4354 0.083 Uiso 1 1 calc R
C28 C -0.3116(4) -0.2184(5) -0.0075(3) 0.0555(10) Uani 1 1 d .
H28A H -0.3187 -0.2424 0.0581 0.067 Uiso 1 1 calc R
H28B H -0.3648 -0.2987 -0.0791 0.067 Uiso 1 1 calc R
H28C H -0.3382 -0.1505 0.0074 0.067 Uiso 1 1 calc R
C29 C 0.4279(4) 0.4230(5) -0.1747(4) 0.0710(13) Uani 1 1 d .
H29A H 0.4413 0.5147 -0.1495 0.085 Uiso 1 1 calc R
H29B H 0.4688 0.4012 -0.2399 0.085 Uiso 1 1 calc R
H29C H 0.4630 0.4162 -0.1097 0.085 Uiso 1 1 calc R
H5A H -0.217(3) -0.143(4) 0.261(3) 0.025(8) Uiso 1 1 d .
H6A H -0.187(3) -0.215(4) -0.077(3) 0.025(9) Uiso 1 1 d .
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'
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'
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'
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 O3 88.32(9) . .
O1 Co1 N1 94.56(9) . .
O3 Co1 N1 89.93(9) . .
O1 Co1 N2 176.39(9) . .
O3 Co1 N2 88.14(9) . .
N1 Co1 N2 86.15(9) . .
O1 Co1 N3 87.81(9) . .
O3 Co1 N3 92.56(9) . .
N1 Co1 N3 176.62(10) . .
N2 Co1 N3 91.63(9) . .
O1 Co1 N4 91.43(10) . .
O3 Co1 N4 176.83(9) . .
N1 Co1 N4 93.24(10) . .
N2 Co1 N4 92.07(10) . .
N3 Co1 N4 84.27(10) . .
O1 Co1 K1 46.74(6) . .
O3 Co1 K1 56.22(6) . .
N1 Co1 K1 122.95(7) . .
N2 Co1 K1 130.14(7) . .
N3 Co1 K1 60.41(7) . .
N4 Co1 K1 121.67(7) . .
O6 K1 O5 84.43(9) . .
O6 K1 O1 92.41(7) . .
O5 K1 O1 124.05(9) . .
O6 K1 O3 137.32(7) . .
O5 K1 O3 134.86(7) . .
O1 K1 O3 54.62(6) . .
O6 K1 N3 130.92(7) . .
O5 K1 N3 88.36(8) . .
O1 K1 N3 53.34(6) . .
O3 K1 N3 53.38(5) . .
O6 K1 C14 159.35(8) . .
O5 K1 C14 116.20(8) . .
O1 K1 C14 76.98(7) . .
O3 K1 C14 24.59(6) . .
N3 K1 C14 55.22(6) . .
O6 K1 C19 173.96(8) . .
O5 K1 C19 91.66(8) . .
O1 K1 C19 85.95(6) . .
O3 K1 C19 45.05(6) . .
N3 K1 C19 44.11(6) . .
C14 K1 C19 25.09(7) . .
O6 K1 C3 102.38(8) . 2
O5 K1 C3 97.36(11) . 2
O1 K1 C3 137.31(9) . 2
O3 K1 C3 89.95(8) . 2
N3 K1 C3 126.70(8) . 2
C14 K1 C3 75.44(8) . 2
C19 K1 C3 82.66(8) . 2
O6 K1 C2 84.84(8) . 2
O5 K1 C2 111.65(10) . 2
O1 K1 C2 123.68(8) . 2
O3 K1 C2 92.18(7) . 2
N3 K1 C2 141.68(7) . 2
C14 K1 C2 86.46(8) . 2
C19 K1 C2 100.91(7) . 2
C3 K1 C2 23.72(9) 2 2
O6 K1 O6 94.05(7) . 2
O5 K1 O6 171.00(9) . 2
O1 K1 O6 64.82(6) . 2
O3 K1 O6 49.92(6) . 2
N3 K1 O6 99.25(6) . 2
C14 K1 O6 65.45(7) . 2
C19 K1 O6 90.51(7) . 2
C3 K1 O6 74.27(9) 2 2
C2 K1 O6 59.35(8) 2 2
O6 K1 C20 148.05(8) . .
O5 K1 C20 78.95(8) . .
O1 K1 C20 75.14(6) . .
O3 K1 C20 56.41(6) . .
N3 K1 C20 23.04(6) . .
C14 K1 C20 46.29(7) . .
C19 K1 C20 26.00(6) . .
C3 K1 C20 106.65(8) 2 .
C2 K1 C20 126.66(7) 2 .
O6 K1 C20 106.33(6) 2 .
O6 K1 C28 21.85(9) . .
O5 K1 C28 66.29(9) . .
O1 K1 C28 92.75(9) . .
O3 K1 C28 146.66(9) . .
N3 K1 C28 115.37(9) . .
C14 K1 C28 169.01(9) . .
C19 K1 C28 152.32(8) . .
C3 K1 C28 115.31(10) 2 .
C2 K1 C28 102.72(9) 2 .
O6 K1 C28 113.92(8) 2 .
C20 K1 C28 127.63(9) . .
C1 O1 Co1 125.51(18) . .
C1 O1 K1 122.60(16) . .
Co1 O1 K1 102.60(8) . .
C14 O3 Co1 122.05(17) . .
C14 O3 K1 84.80(14) . .
Co1 O3 K1 92.29(7) . .
C27 O5 K1 126.3(3) . .
C27 O5 H5A 103(2) . .
K1 O5 H5A 116(2) . .
C28 O6 K1 113.1(2) . .
C28 O6 K1 150.2(2) . 2
K1 O6 K1 85.95(7) . 2
C28 O6 H6A 106(3) . .
K1 O6 H6A 141(3) . .
K1 O6 H6A 61(3) 2 .
C29 O7 H7A 117(3) . .
C7 N1 C8 119.8(2) . .
C7 N1 Co1 126.4(2) . .
C8 N1 Co1 111.16(17) . .
C13 N2 Co1 110.18(17) . .
C13 N2 H2A 109.6 . .
Co1 N2 H2A 109.6 . .
C13 N2 H2B 109.6 . .
Co1 N2 H2B 109.6 . .
H2A N2 H2B 108.1 . .
C20 N3 C21 116.7(2) . .
C20 N3 Co1 124.78(18) . .
C21 N3 Co1 112.48(17) . .
C20 N3 K1 88.49(15) . .
C21 N3 K1 120.68(16) . .
Co1 N3 K1 87.19(8) . .
C26 N4 Co1 105.65(17) . .
C26 N4 H4A 110.6 . .
Co1 N4 H4A 110.6 . .
C26 N4 H4B 110.6 . .
Co1 N4 H4B 110.6 . .
H4A N4 H4B 108.7 . .
O1 C1 C6 124.6(3) . .
O1 C1 C2 117.4(3) . .
C6 C1 C2 117.9(3) . .
C3 C2 C1 122.1(4) . .
C3 C2 K1 77.5(2) . 2
C1 C2 K1 87.45(19) . 2
C3 C2 H2 119.0 . .
C1 C2 H2 119.0 . .
K1 C2 H2 105.6 2 .
C2 C3 C4 119.9(3) . .
C2 C3 K1 78.8(2) . 2
C4 C3 K1 86.9(3) . 2
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
K1 C3 H3 104.3 2 .
C5 C4 C3 119.1(3) . .
C5 C4 K1 88.8(2) . 2
C3 C4 K1 70.0(2) . 2
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
K1 C4 H4 111.0 2 .
C4 C5 C6 122.5(4) . .
C4 C5 H5 118.8 . .
C6 C5 H5 118.8 . .
C1 C6 C5 118.4(3) . .
C1 C6 C7 124.1(3) . .
C5 C6 C7 117.4(3) . .
O2 C7 N1 122.8(3) . .
O2 C7 C6 116.6(3) . .
N1 C7 C6 120.6(3) . .
N1 C8 C13 108.0(2) . .
N1 C8 C9 119.8(3) . .
C13 C8 C9 108.3(3) . .
N1 C8 H8 106.7 . .
C13 C8 H8 106.7 . .
C9 C8 H8 106.7 . .
C8 C9 C10 111.0(3) . .
C8 C9 H9A 109.4 . .
C10 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
C10 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C9 C10 C11 112.7(3) . .
C9 C10 H10A 109.0 . .
C11 C10 H10A 109.0 . .
C9 C10 H10B 109.0 . .
C11 C10 H10B 109.0 . .
H10A C10 H10B 107.8 . .
C12 C11 C10 110.3(3) . .
C12 C11 H11A 109.6 . .
C10 C11 H11A 109.6 . .
C12 C11 H11B 109.6 . .
C10 C11 H11B 109.6 . .
H11A C11 H11B 108.1 . .
C13 C12 C11 110.6(3) . .
C13 C12 H12A 109.5 . .
C11 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 108.1 . .
N2 C13 C8 109.1(2) . .
N2 C13 C12 112.6(2) . .
C8 C13 C12 111.8(3) . .
N2 C13 H13 107.7 . .
C8 C13 H13 107.7 . .
C12 C13 H13 107.7 . .
O3 C14 C15 116.8(2) . .
O3 C14 C19 125.0(2) . .
C15 C14 C19 118.2(2) . .
O3 C14 K1 70.61(14) . .
C15 C14 K1 120.15(18) . .
C19 C14 K1 82.17(15) . .
C16 C15 C14 121.6(3) . .
C16 C15 H15 119.2 . .
C14 C15 H15 119.2 . .
C15 C16 C17 120.4(3) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 118.8(3) . .
C18 C17 H17 120.6 . .
C16 C17 H17 120.6 . .
C17 C18 C19 122.4(3) . .
C17 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C18 C19 C14 118.4(3) . .
C18 C19 C20 116.7(2) . .
C14 C19 C20 124.9(2) . .
C18 C19 K1 119.43(18) . .
C14 C19 K1 72.73(15) . .
C20 C19 K1 80.29(14) . .
O4 C20 N3 124.5(3) . .
O4 C20 C19 117.8(2) . .
N3 C20 C19 117.7(2) . .
O4 C20 K1 127.68(17) . .
N3 C20 K1 68.47(14) . .
C19 C20 K1 73.71(14) . .
N3 C21 C26 107.7(2) . .
N3 C21 C22 115.7(2) . .
C26 C21 C22 107.8(2) . .
N3 C21 H21 108.5 . .
C26 C21 H21 108.5 . .
C22 C21 H21 108.5 . .
C21 C22 C23 108.4(2) . .
C21 C22 H22A 110.0 . .
C23 C22 H22A 110.0 . .
C21 C22 H22B 110.0 . .
C23 C22 H22B 110.0 . .
H22A C22 H22B 108.4 . .
C24 C23 C22 111.8(3) . .
C24 C23 H23A 109.3 . .
C22 C23 H23A 109.3 . .
C24 C23 H23B 109.3 . .
C22 C23 H23B 109.3 . .
H23A C23 H23B 107.9 . .
C23 C24 C25 110.9(3) . .
C23 C24 H24A 109.5 . .
C25 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C25 C24 H24B 109.5 . .
H24A C24 H24B 108.0 . .
C26 C25 C24 109.0(2) . .
C26 C25 H25A 109.9 . .
C24 C25 H25A 109.9 . .
C26 C25 H25B 109.9 . .
C24 C25 H25B 109.9 . .
H25A C25 H25B 108.3 . .
N4 C26 C25 115.5(2) . .
N4 C26 C21 106.6(2) . .
C25 C26 C21 111.6(2) . .
N4 C26 H26 107.6 . .
C25 C26 H26 107.6 . .
C21 C26 H26 107.6 . .
O5 C27 H27A 109.5 . .
O5 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
O5 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O6 C28 K1 45.06(17) . .
O6 C28 H28A 109.5 . .
K1 C28 H28A 84.4 . .
O6 C28 H28B 109.5 . .
K1 C28 H28B 154.5 . .
H28A C28 H28B 109.5 . .
O6 C28 H28C 109.5 . .
K1 C28 H28C 84.4 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O7 C29 H29A 109.5 . .
O7 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O7 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 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 1.8968(19) .
Co1 O3 1.8979(19) .
Co1 N1 1.945(2) .
Co1 N2 1.947(2) .
Co1 N3 1.947(2) .
Co1 N4 1.952(2) .
Co1 K1 3.6308(9) .
K1 O6 2.674(3) .
K1 O5 2.688(3) .
K1 O1 2.710(2) .
K1 O3 3.020(2) .
K1 N3 3.161(2) .
K1 C14 3.189(3) .
K1 C19 3.308(3) .
K1 C3 3.328(4) 2
K1 C2 3.343(4) 2
K1 O6 3.371(3) 2
K1 C20 3.397(3) .
K1 C28 3.474(4) .
O1 C1 1.313(3) .
O2 C7 1.256(4) .
O3 C14 1.333(3) .
O4 C20 1.262(3) .
O5 C27 1.409(5) .
O5 H5A 0.82(4) .
O6 C28 1.406(5) .
O6 K1 3.371(3) 2
O6 H6A 0.74(4) .
O7 C29 1.398(5) .
O7 H7A 0.90(4) .
N1 C7 1.313(4) .
N1 C8 1.480(4) .
N2 C13 1.474(4) .
N2 H2A 0.9200 .
N2 H2B 0.9200 .
N3 C20 1.330(3) .
N3 C21 1.474(3) .
N4 C26 1.474(4) .
N4 H4A 0.9200 .
N4 H4B 0.9200 .
C1 C6 1.405(4) .
C1 C2 1.418(4) .
C2 C3 1.371(5) .
C2 K1 3.343(4) 2
C2 H2 0.9500 .
C3 C4 1.388(6) .
C3 K1 3.328(4) 2
C3 H3 0.9500 .
C4 C5 1.376(6) .
C4 K1 3.537(4) 2
C4 H4 0.9500 .
C5 C6 1.407(4) .
C5 H5 0.9500 .
C6 C7 1.495(4) .
C8 C13 1.513(4) .
C8 C9 1.519(4) .
C8 H8 1.0000 .
C9 C10 1.524(5) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.536(5) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.530(5) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.522(4) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13 1.0000 .
C14 C15 1.407(4) .
C14 C19 1.416(4) .
C15 C16 1.376(4) .
C15 H15 0.9500 .
C16 C17 1.390(5) .
C16 H16 0.9500 .
C17 C18 1.377(4) .
C17 H17 0.9500 .
C18 C19 1.402(4) .
C18 H18 0.9500 .
C19 C20 1.511(4) .
C21 C26 1.522(4) .
C21 C22 1.526(4) .
C21 H21 1.0000 .
C22 C23 1.536(4) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.524(5) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.529(4) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.515(4) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26 1.0000 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 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
O7 H7A O2 0.90 1.78 2.609(6) 152.62 1_555
N2 H2A O4 0.92 1.92 2.832(4) 171.59 2_566
O5 H5A O7 0.82(4) 1.90(4) 2.716(5) 174(4) 2_555
O6 H6A O3 0.74(4) 1.98(4) 2.832(4) 175(4) 2_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
O3 Co1 O1 C1 -104.3(2) . .
N1 Co1 O1 C1 -14.5(2) . .
N2 Co1 O1 C1 -115.8(14) . .
N3 Co1 O1 C1 163.1(2) . .
N4 Co1 O1 C1 78.8(2) . .
K1 Co1 O1 C1 -146.9(3) . .
O3 Co1 O1 K1 42.60(8) . .
N1 Co1 O1 K1 132.39(9) . .
N2 Co1 O1 K1 31.1(15) . .
N3 Co1 O1 K1 -50.03(9) . .
N4 Co1 O1 K1 -134.24(9) . .
O6 K1 O1 C1 -34.0(2) . .
O5 K1 O1 C1 -118.9(2) . .
O3 K1 O1 C1 116.7(2) . .
N3 K1 O1 C1 -175.8(2) . .
C14 K1 O1 C1 128.1(2) . .
C19 K1 O1 C1 151.8(2) . .
C3 K1 O1 C1 77.2(2) 2 .
C2 K1 O1 C1 51.4(2) 2 .
O6 K1 O1 C1 59.3(2) 2 .
C20 K1 O1 C1 175.8(2) . .
C28 K1 O1 C1 -55.9(2) . .
O6 K1 O1 Co1 177.83(9) . .
O5 K1 O1 Co1 92.92(11) . .
O3 K1 O1 Co1 -31.43(7) . .
N3 K1 O1 Co1 36.02(7) . .
C14 K1 O1 Co1 -20.08(8) . .
C19 K1 O1 Co1 3.65(9) . .
C3 K1 O1 Co1 -70.94(14) 2 .
C2 K1 O1 Co1 -96.77(10) 2 .
O6 K1 O1 Co1 -88.83(9) 2 .
C20 K1 O1 Co1 27.67(8) . .
C28 K1 O1 Co1 155.96(10) . .
O1 Co1 O3 C14 -121.7(2) . .
N1 Co1 O3 C14 143.8(2) . .
N2 Co1 O3 C14 57.6(2) . .
N3 Co1 O3 C14 -33.9(2) . .
N4 Co1 O3 C14 -36.2(19) . .
K1 Co1 O3 C14 -85.30(19) . .
O1 Co1 O3 K1 -36.38(7) . .
N1 Co1 O3 K1 -130.94(8) . .
N2 Co1 O3 K1 142.91(8) . .
N3 Co1 O3 K1 51.35(8) . .
N4 Co1 O3 K1 49.1(18) . .
O6 K1 O3 C14 -161.36(15) . .
O5 K1 O3 C14 47.36(19) . .
O1 K1 O3 C14 152.57(16) . .
N3 K1 O3 C14 85.19(15) . .
C19 K1 O3 C14 26.67(14) . .
C3 K1 O3 C14 -52.99(16) 2 .
C2 K1 O3 C14 -76.61(15) 2 .
O6 K1 O3 C14 -122.28(16) 2 .
C20 K1 O3 C14 57.17(15) . .
C28 K1 O3 C14 166.08(18) . .
O6 K1 O3 Co1 76.66(12) . .
O5 K1 O3 Co1 -74.62(13) . .
O1 K1 O3 Co1 30.59(7) . .
N3 K1 O3 Co1 -36.79(7) . .
C14 K1 O3 Co1 -121.98(17) . .
C19 K1 O3 Co1 -95.31(10) . .
C3 K1 O3 Co1 -174.97(9) 2 .
C2 K1 O3 Co1 161.41(8) 2 .
O6 K1 O3 Co1 115.74(10) 2 .
C20 K1 O3 Co1 -64.80(8) . .
C28 K1 O3 Co1 44.10(17) . .
O6 K1 O5 C27 171.3(4) . .
O1 K1 O5 C27 -99.5(3) . .
O3 K1 O5 C27 -27.8(4) . .
N3 K1 O5 C27 -57.3(3) . .
C14 K1 O5 C27 -7.8(4) . .
C19 K1 O5 C27 -13.3(3) . .
C3 K1 O5 C27 69.5(4) 2 .
C2 K1 O5 C27 89.1(3) 2 .
O6 K1 O5 C27 90.6(6) 2 .
C20 K1 O5 C27 -36.1(3) . .
C28 K1 O5 C27 -176.0(4) . .
O5 K1 O6 C28 32.6(3) . .
O1 K1 O6 C28 -91.4(3) . .
O3 K1 O6 C28 -127.4(2) . .
N3 K1 O6 C28 -50.3(3) . .
C14 K1 O6 C28 -149.5(3) . .
C19 K1 O6 C28 -17.2(9) . .
C3 K1 O6 C28 128.9(3) 2 .
C2 K1 O6 C28 145.0(3) 2 .
O6 K1 O6 C28 -156.3(3) 2 .
C20 K1 O6 C28 -26.0(3) . .
O5 K1 O6 K1 -171.10(9) . 2
O1 K1 O6 K1 64.92(6) . 2
O3 K1 O6 K1 28.92(11) . 2
N3 K1 O6 K1 105.95(8) . 2
C14 K1 O6 K1 6.8(2) . 2
C19 K1 O6 K1 139.0(7) . 2
C3 K1 O6 K1 -74.77(9) 2 2
C2 K1 O6 K1 -58.70(7) 2 2
O6 K1 O6 K1 0.0 2 2
C20 K1 O6 K1 130.25(12) . 2
C28 K1 O6 K1 156.3(3) . 2
O1 Co1 N1 C7 -4.2(3) . .
O3 Co1 N1 C7 84.1(3) . .
N2 Co1 N1 C7 172.2(3) . .
N3 Co1 N1 C7 -138.5(16) . .
N4 Co1 N1 C7 -95.9(3) . .
K1 Co1 N1 C7 35.6(3) . .
O1 Co1 N1 C8 -165.79(19) . .
O3 Co1 N1 C8 -77.48(19) . .
N2 Co1 N1 C8 10.66(19) . .
N3 Co1 N1 C8 59.9(17) . .
N4 Co1 N1 C8 102.5(2) . .
K1 Co1 N1 C8 -125.92(17) . .
O1 Co1 N2 C13 115.2(14) . .
O3 Co1 N2 C13 103.65(19) . .
N1 Co1 N2 C13 13.60(19) . .
N3 Co1 N2 C13 -163.83(19) . .
N4 Co1 N2 C13 -79.5(2) . .
K1 Co1 N2 C13 144.63(16) . .
O1 Co1 N3 C20 126.1(2) . .
O3 Co1 N3 C20 37.9(2) . .
N1 Co1 N3 C20 -99.4(16) . .
N2 Co1 N3 C20 -50.3(2) . .
N4 Co1 N3 C20 -142.2(2) . .
K1 Co1 N3 C20 86.2(2) . .
O1 Co1 N3 C21 -82.25(18) . .
O3 Co1 N3 C21 -170.47(18) . .
N1 Co1 N3 C21 52.2(17) . .
N2 Co1 N3 C21 101.32(18) . .
N4 Co1 N3 C21 9.40(18) . .
K1 Co1 N3 C21 -122.18(19) . .
O1 Co1 N3 K1 39.93(7) . .
O3 Co1 N3 K1 -48.29(7) . .
N1 Co1 N3 K1 174.4(16) . .
N2 Co1 N3 K1 -136.50(8) . .
N4 Co1 N3 K1 131.59(9) . .
O6 K1 N3 C20 146.18(16) . .
O5 K1 N3 C20 65.01(16) . .
O1 K1 N3 C20 -158.97(18) . .
O3 K1 N3 C20 -89.21(16) . .
C14 K1 N3 C20 -58.89(15) . .
C19 K1 N3 C20 -29.08(15) . .
C3 K1 N3 C20 -32.95(19) 2 .
C2 K1 N3 C20 -59.0(2) 2 .
O6 K1 N3 C20 -110.17(15) 2 .
C28 K1 N3 C20 127.70(16) . .
O6 K1 N3 C21 25.7(2) . .
O5 K1 N3 C21 -55.47(19) . .
O1 K1 N3 C21 80.56(18) . .
O3 K1 N3 C21 150.3(2) . .
C14 K1 N3 C21 -179.4(2) . .
C19 K1 N3 C21 -149.6(2) . .
C3 K1 N3 C21 -153.42(19) 2 .
C2 K1 N3 C21 -179.47(18) 2 .
O6 K1 N3 C21 129.36(18) 2 .
C20 K1 N3 C21 -120.5(3) . .
C28 K1 N3 C21 7.2(2) . .
O6 K1 N3 Co1 -88.88(11) . .
O5 K1 N3 Co1 -170.06(10) . .
O1 K1 N3 Co1 -34.03(7) . .
O3 K1 N3 Co1 35.72(6) . .
C14 K1 N3 Co1 66.04(8) . .
C19 K1 N3 Co1 95.85(10) . .
C3 K1 N3 Co1 91.99(12) 2 .
C2 K1 N3 Co1 65.94(14) 2 .
O6 K1 N3 Co1 14.77(8) 2 .
C20 K1 N3 Co1 124.93(18) . .
C28 K1 N3 Co1 -107.37(10) . .
O1 Co1 N4 C26 53.66(18) . .
O3 Co1 N4 C26 -31.7(19) . .
N1 Co1 N4 C26 148.31(18) . .
N2 Co1 N4 C26 -125.42(18) . .
N3 Co1 N4 C26 -33.99(18) . .
K1 Co1 N4 C26 15.9(2) . .
Co1 O1 C1 C6 19.6(4) . .
K1 O1 C1 C6 -121.1(3) . .
Co1 O1 C1 C2 -163.2(2) . .
K1 O1 C1 C2 56.0(3) . .
O1 C1 C2 C3 -173.9(3) . .
C6 C1 C2 C3 3.5(5) . .
O1 C1 C2 K1 -100.3(2) . 2
C6 C1 C2 K1 77.0(3) . 2
C1 C2 C3 C4 -0.9(6) . .
K1 C2 C3 C4 -79.8(4) 2 .
C1 C2 C3 K1 78.9(3) . 2
C2 C3 C4 C5 -1.6(6) . .
K1 C3 C4 C5 -76.8(4) 2 .
C2 C3 C4 K1 75.2(3) . 2
C3 C4 C5 C6 1.5(7) . .
K1 C4 C5 C6 -64.7(4) 2 .
O1 C1 C6 C5 173.7(3) . .
C2 C1 C6 C5 -3.5(5) . .
O1 C1 C6 C7 -3.9(5) . .
C2 C1 C6 C7 179.0(3) . .
C4 C5 C6 C1 1.1(6) . .
C4 C5 C6 C7 178.8(4) . .
C8 N1 C7 O2 -3.1(5) . .
Co1 N1 C7 O2 -163.2(3) . .
C8 N1 C7 C6 177.8(3) . .
Co1 N1 C7 C6 17.7(4) . .
C1 C6 C7 O2 165.0(4) . .
C5 C6 C7 O2 -12.6(5) . .
C1 C6 C7 N1 -15.8(5) . .
C5 C6 C7 N1 166.6(3) . .
C7 N1 C8 C13 165.4(3) . .
Co1 N1 C8 C13 -31.7(3) . .
C7 N1 C8 C9 40.9(4) . .
Co1 N1 C8 C9 -156.2(3) . .
N1 C8 C9 C10 -177.4(3) . .
C13 C8 C9 C10 58.3(5) . .
C8 C9 C10 C11 -55.6(5) . .
C9 C10 C11 C12 52.2(5) . .
C10 C11 C12 C13 -53.0(5) . .
Co1 N2 C13 C8 -34.4(3) . .
Co1 N2 C13 C12 -159.2(2) . .
N1 C8 C13 N2 42.8(3) . .
C9 C8 C13 N2 173.9(3) . .
N1 C8 C13 C12 168.0(3) . .
C9 C8 C13 C12 -60.9(4) . .
C11 C12 C13 N2 -177.6(3) . .
C11 C12 C13 C8 59.1(4) . .
Co1 O3 C14 C15 -155.8(2) . .
K1 O3 C14 C15 114.8(2) . .
Co1 O3 C14 C19 24.5(3) . .
K1 O3 C14 C19 -65.0(2) . .
Co1 O3 C14 K1 89.45(15) . .
O6 K1 C14 O3 37.9(3) . .
O5 K1 C14 O3 -144.46(15) . .
O1 K1 C14 O3 -22.68(14) . .
N3 K1 C14 O3 -76.84(14) . .
C19 K1 C14 O3 -131.5(2) . .
C3 K1 C14 O3 124.41(16) 2 .
C2 K1 C14 O3 103.10(15) 2 .
O6 K1 C14 O3 45.33(14) 2 .
C20 K1 C14 O3 -104.45(16) . .
C28 K1 C14 O3 -43.9(5) . .
O6 K1 C14 C15 -72.4(3) . .
O5 K1 C14 C15 105.2(2) . .
O1 K1 C14 C15 -133.0(2) . .
O3 K1 C14 C15 -110.3(3) . .
N3 K1 C14 C15 172.8(2) . .
C19 K1 C14 C15 118.2(3) . .
C3 K1 C14 C15 14.1(2) 2 .
C2 K1 C14 C15 -7.2(2) 2 .
O6 K1 C14 C15 -65.0(2) 2 .
C20 K1 C14 C15 145.2(3) . .
C28 K1 C14 C15 -154.3(4) . .
O6 K1 C14 C19 169.4(2) . .
O5 K1 C14 C19 -12.97(18) . .
O1 K1 C14 C19 108.82(16) . .
O3 K1 C14 C19 131.5(2) . .
N3 K1 C14 C19 54.66(15) . .
C3 K1 C14 C19 -104.09(17) 2 .
C2 K1 C14 C19 -125.40(16) 2 .
O6 K1 C14 C19 176.83(17) 2 .
C20 K1 C14 C19 27.05(14) . .
C28 K1 C14 C19 87.6(5) . .
O3 C14 C15 C16 -175.6(3) . .
C19 C14 C15 C16 4.2(4) . .
K1 C14 C15 C16 -93.5(3) . .
C14 C15 C16 C17 -0.2(5) . .
C15 C16 C17 C18 -2.4(5) . .
C16 C17 C18 C19 0.9(5) . .
C17 C18 C19 C14 3.1(4) . .
C17 C18 C19 C20 -177.8(3) . .
C17 C18 C19 K1 88.3(3) . .
O3 C14 C19 C18 174.3(2) . .
C15 C14 C19 C18 -5.5(4) . .
K1 C14 C19 C18 114.6(2) . .
O3 C14 C19 C20 -4.7(4) . .
C15 C14 C19 C20 175.5(2) . .
K1 C14 C19 C20 -64.4(2) . .
O3 C14 C19 K1 59.6(2) . .
C15 C14 C19 K1 -120.1(2) . .
O6 K1 C19 C18 104.6(7) . .
O5 K1 C19 C18 55.0(2) . .
O1 K1 C19 C18 179.1(2) . .
O3 K1 C19 C18 -139.5(2) . .
N3 K1 C19 C18 141.0(3) . .
C14 K1 C19 C18 -113.3(3) . .
C3 K1 C19 C18 -42.2(2) 2 .
C2 K1 C19 C18 -57.4(2) 2 .
O6 K1 C19 C18 -116.2(2) 2 .
C20 K1 C19 C18 115.2(3) . .
C28 K1 C19 C18 90.9(3) . .
O6 K1 C19 C14 -142.0(7) . .
O5 K1 C19 C14 168.38(17) . .
O1 K1 C19 C14 -67.59(16) . .
O3 K1 C19 C14 -26.13(14) . .
N3 K1 C19 C14 -105.70(17) . .
C3 K1 C19 C14 71.18(17) 2 .
C2 K1 C19 C14 55.95(17) 2 .
O6 K1 C19 C14 -2.89(16) 2 .
C20 K1 C19 C14 -131.4(2) . .
C28 K1 C19 C14 -155.8(2) . .
O6 K1 C19 C20 -10.6(8) . .
O5 K1 C19 C20 -60.20(16) . .
O1 K1 C19 C20 63.82(14) . .
O3 K1 C19 C20 105.29(16) . .
N3 K1 C19 C20 25.72(13) . .
C14 K1 C19 C20 131.4(2) . .
C3 K1 C19 C20 -157.41(16) 2 .
C2 K1 C19 C20 -172.63(15) 2 .
O6 K1 C19 C20 128.53(14) 2 .
C28 K1 C19 C20 -24.4(3) . .
C21 N3 C20 O4 2.2(4) . .
Co1 N3 C20 O4 152.7(2) . .
K1 N3 C20 O4 -121.7(2) . .
C21 N3 C20 C19 -179.3(2) . .
Co1 N3 C20 C19 -28.7(3) . .
K1 N3 C20 C19 56.8(2) . .
C21 N3 C20 K1 123.9(2) . .
Co1 N3 C20 K1 -85.53(17) . .
C18 C19 C20 O4 6.3(4) . .
C14 C19 C20 O4 -174.7(2) . .
K1 C19 C20 O4 124.5(2) . .
C18 C19 C20 N3 -172.3(2) . .
C14 C19 C20 N3 6.7(4) . .
K1 C19 C20 N3 -54.2(2) . .
C18 C19 C20 K1 -118.2(2) . .
C14 C19 C20 K1 60.9(2) . .
O6 K1 C20 O4 65.1(3) . .
O5 K1 C20 O4 5.1(2) . .
O1 K1 C20 O4 135.0(2) . .
O3 K1 C20 O4 -167.9(3) . .
N3 K1 C20 O4 117.7(3) . .
C14 K1 C20 O4 -138.9(3) . .
C19 K1 C20 O4 -112.8(3) . .
C3 K1 C20 O4 -89.4(2) 2 .
C2 K1 C20 O4 -103.8(2) 2 .
O6 K1 C20 O4 -167.4(2) 2 .
C28 K1 C20 O4 53.2(3) . .
O6 K1 C20 N3 -52.6(2) . .
O5 K1 C20 N3 -112.62(17) . .
O1 K1 C20 N3 17.33(15) . .
O3 K1 C20 N3 74.45(15) . .
C14 K1 C20 N3 103.38(17) . .
C19 K1 C20 N3 129.5(2) . .
C3 K1 C20 N3 152.92(16) 2 .
C2 K1 C20 N3 138.52(16) 2 .
O6 K1 C20 N3 74.89(16) 2 .
C28 K1 C20 N3 -64.52(19) . .
O6 K1 C20 C19 177.90(16) . .
O5 K1 C20 C19 117.90(16) . .
O1 K1 C20 C19 -112.16(15) . .
O3 K1 C20 C19 -55.03(14) . .
N3 K1 C20 C19 -129.5(2) . .
C14 K1 C20 C19 -26.10(14) . .
C3 K1 C20 C19 23.44(17) 2 .
C2 K1 C20 C19 9.03(18) 2 .
O6 K1 C20 C19 -54.60(15) 2 .
C28 K1 C20 C19 165.99(15) . .
C20 N3 C21 C26 170.9(2) . .
Co1 N3 C21 C26 16.9(3) . .
K1 N3 C21 C26 -83.7(2) . .
C20 N3 C21 C22 -68.4(3) . .
Co1 N3 C21 C22 137.5(2) . .
K1 N3 C21 C22 36.9(3) . .
N3 C21 C22 C23 178.6(2) . .
C26 C21 C22 C23 -60.8(3) . .
C21 C22 C23 C24 58.7(4) . .
C22 C23 C24 C25 -55.6(4) . .
C23 C24 C25 C26 54.5(4) . .
Co1 N4 C26 C25 175.9(2) . .
Co1 N4 C26 C21 51.2(2) . .
C24 C25 C26 N4 178.5(3) . .
C24 C25 C26 C21 -59.6(3) . .
N3 C21 C26 N4 -44.2(3) . .
C22 C21 C26 N4 -169.7(2) . .
N3 C21 C26 C25 -171.2(2) . .
C22 C21 C26 C25 63.3(3) . .
K1 O6 C28 K1 -126.1(5) 2 .
O5 K1 C28 O6 -144.1(3) . .
O1 K1 C28 O6 89.6(2) . .
O3 K1 C28 O6 78.6(3) . .
N3 K1 C28 O6 139.9(2) . .
C14 K1 C28 O6 110.3(5) . .
C19 K1 C28 O6 176.15(19) . .
C3 K1 C28 O6 -57.2(3) 2 .
C2 K1 C28 O6 -35.8(3) 2 .
O6 K1 C28 O6 26.0(3) 2 .
C20 K1 C28 O6 162.9(2) . .
