#------------------------------------------------------------------------------
#$Date: 2019-09-03 03:08:05 +0300 (Tue, 03 Sep 2019) $
#$Revision: 217923 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/40/7124096.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_7124096
loop_
_publ_author_name
'Chen, Ruru'
'Cao, Minna'
'Wang, Jin-Yun'
'Li, Hongfang'
'Cao, Rong'
_publ_section_title
;
 Decamethylcucurbit[5]uril based Supramolecular Assemblies as Efficient
 Electrocatalysts for Oxygen Reduction Reaction
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC05899K
_journal_year                    2019
_chemical_formula_sum            'C20 H24 Cl3 K N10 O5.73 Pt0.5'
_chemical_formula_weight         739.10
_chemical_name_systematic        KPtMe10CB[5]
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2019-05-13 deposited with the CCDC.    2019-09-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.7852(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.03561(15)
_cell_length_b                   15.2027(2)
_cell_length_c                   15.7225(2)
_cell_measurement_reflns_used    10564
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.956
_cell_measurement_theta_min      3.86
_cell_volume                     2632.03(6)
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  Supernova
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10678
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.956
_diffrn_reflns_theta_min         4.015
_exptl_absorpt_coefficient_mu    9.894
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_description       prism
_exptl_crystal_F_000             1475
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   0.1
_exptl_transmission_factor_min   0.1
_refine_diff_density_max         2.080
_refine_diff_density_min         -2.160
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         5254
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.051
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0834P)²+4.3186P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1179
_refine_ls_wR_factor_ref         0.1207
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4929
_reflns_number_total             5254
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc05899k2.cif
_cod_data_source_block           KPtMe10CB[5]
_cod_original_cell_volume        2632.02(6)
_cod_original_formula_sum        'C20 H24 Cl3 K N10 O5.73 Pt0.50'
_cod_database_code               7124096
_shelx_shelxl_version_number     2016/4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
PT01 Pt 0.00052(2) 0.250000 0.25554(2) 0.00831(11) Uani 1 2 d S T P . .
CL3 Cl -0.19350(11) 0.250000 0.30240(8) 0.0160(3) Uani 1 2 d S T P . .
CL2 Cl -0.07846(12) 0.250000 0.11518(8) 0.0163(3) Uani 1 2 d S T P . .
K1 K 0.27951(12) 0.250000 0.55493(8) 0.0209(3) Uani 1 2 d S T P . .
CL1 Cl 0.07616(13) 0.250000 0.39730(8) 0.0185(3) Uani 1 2 d S T P A .
CL5 Cl -0.00098(7) 0.09700(8) 0.25303(6) 0.0226(3) Uani 1 1 d . . . . .
CL4 Cl 0.19802(12) 0.250000 0.21059(10) 0.0204(3) Uani 1 2 d S T P . .
K2 K 0.73402(14) 0.250000 0.93853(10) 0.0276(3) Uani 1 2 d S T P . .
O4 O 0.6291(2) 0.40833(17) 0.92775(15) 0.0123(5) Uani 1 1 d . . . . .
O5 O 0.5033(3) 0.250000 1.0114(2) 0.0126(7) Uani 1 2 d S T P A .
O8 O 0.1691(3) 0.250000 0.6987(2) 0.0121(7) Uani 1 2 d S T P A .
O6 O 0.4758(2) 0.34699(17) 0.52172(15) 0.0127(5) Uani 1 1 d . . . . .
O7 O 0.2676(2) 0.42145(17) 0.62607(15) 0.0135(5) Uani 1 1 d . . . . .
N6 N 0.4274(3) 0.5007(2) 0.68867(19) 0.0115(6) Uani 1 1 d . . . . .
N4 N 0.7429(3) 0.4504(2) 0.72417(19) 0.0126(7) Uani 1 1 d . . . . .
N5 N 0.5765(3) 0.4940(2) 0.80991(19) 0.0104(6) Uani 1 1 d . . . . .
N10 N 0.1938(3) 0.3233(2) 0.8270(2) 0.0127(7) Uani 1 1 d . . . . .
N8 N 0.4317(3) 0.4505(2) 0.89269(19) 0.0100(6) Uani 1 1 d . . . . .
N1 N 0.8264(3) 0.3301(2) 0.6730(2) 0.0157(7) Uani 1 1 d . . . . .
N7 N 0.2851(3) 0.4538(2) 0.77019(19) 0.0129(7) Uani 1 1 d . . . . .
N2 N 0.6819(3) 0.3305(2) 0.5498(2) 0.0141(7) Uani 1 1 d . . . . .
N3 N 0.5893(3) 0.4441(2) 0.6064(2) 0.0125(7) Uani 1 1 d . . . . .
N9 N 0.3340(3) 0.3228(2) 0.9529(2) 0.0119(7) Uani 1 1 d . . . . .
C21 C 0.5525(3) 0.4460(2) 0.8807(2) 0.0090(7) Uani 1 1 d . . . . .
C15 C 0.8062(3) 0.3761(3) 0.7463(2) 0.0129(4) Uani 1 1 d . . . . .
C22 C 0.4682(3) 0.5376(2) 0.7714(2) 0.0107(7) Uani 1 1 d . . . . .
C23 C 0.3209(3) 0.4547(2) 0.6888(2) 0.0107(7) Uani 1 1 d . . . . .
C28 C 0.3825(3) 0.4104(2) 0.9668(2) 0.0112(7) Uani 1 1 d . . . . .
H28A H 0.446112 0.407930 1.012374 0.013 Uiso 1 1 calc R U . . .
H28B H 0.318538 0.447928 0.985777 0.013 Uiso 1 1 calc R U . . .
C19 C 0.7009(3) 0.5096(2) 0.7881(2) 0.0130(7) Uani 1 1 d . . . . .
H19A H 0.707159 0.569495 0.767680 0.016 Uiso 1 1 calc R U . . .
H19B H 0.754201 0.504162 0.839420 0.016 Uiso 1 1 calc R U . . .
C14 C 0.5722(3) 0.3707(2) 0.5569(2) 0.0102(7) Uani 1 1 d . . . . .
C26 C 0.3638(3) 0.5056(2) 0.8295(2) 0.0108(7) Uani 1 1 d . . . . .
C20 C 0.4924(3) 0.5074(2) 0.6123(2) 0.0109(7) Uani 1 1 d . . . . .
H20A H 0.526519 0.566106 0.609531 0.013 Uiso 1 1 calc R U . . .
H20B H 0.435161 0.500260 0.563315 0.013 Uiso 1 1 calc R U . . .
C16 C 0.7173(3) 0.4598(3) 0.6322(2) 0.0129(4) Uani 1 1 d . U . . .
C25 C 0.2940(4) 0.5786(3) 0.8701(2) 0.0155(8) Uani 1 1 d . . . . .
H25A H 0.233459 0.553530 0.903877 0.023 Uiso 1 1 calc R U . . .
H25B H 0.255356 0.614919 0.826258 0.023 Uiso 1 1 calc R U . . .
H25C H 0.348972 0.613695 0.905707 0.023 Uiso 1 1 calc R U . . .
C24 C 0.4847(4) 0.6365(3) 0.7667(3) 0.0193(8) Uani 1 1 d . . . . .
H24A H 0.548958 0.649769 0.730428 0.029 Uiso 1 1 calc R U . . .
H24B H 0.505049 0.659169 0.822805 0.029 Uiso 1 1 calc R U . . .
H24C H 0.410657 0.663058 0.743883 0.029 Uiso 1 1 calc R U . . .
C27 C 0.1743(3) 0.4101(2) 0.7908(2) 0.0122(7) Uani 1 1 d . . . . .
H27A H 0.121064 0.405146 0.739385 0.015 Uiso 1 1 calc R U . . .
H27B H 0.133312 0.446201 0.830935 0.015 Uiso 1 1 calc R U . . .
C29 C 0.4006(4) 0.250000 0.9759(3) 0.0096(9) Uani 1 2 d S T P . .
C31 C 0.2109(3) 0.3024(2) 0.9175(2) 0.0106(6) Uani 1 1 d . . . . .
C17 C 0.7599(4) 0.5484(3) 0.6000(2) 0.0170(8) Uani 1 1 d . . . . .
H17A H 0.718498 0.594861 0.627622 0.026 Uiso 1 1 calc R U . . .
H17B H 0.742171 0.552083 0.539522 0.026 Uiso 1 1 calc R U . . .
H17C H 0.845838 0.554123 0.612637 0.026 Uiso 1 1 calc R U . . .
C13 C 0.6913(5) 0.250000 0.5011(3) 0.0151(11) Uani 1 2 d S T P . .
H13A H 0.627816 0.250000 0.455420 0.018 Uiso 1 2 calc R U P . .
H13B H 0.768650 0.250001 0.475157 0.018 Uiso 1 2 calc R U P . .
C11 C 0.7828(3) 0.3764(3) 0.5961(2) 0.0129(4) Uani 1 1 d . U . . .
C32 C 0.1149(4) 0.3453(3) 0.9684(2) 0.0197(8) Uani 1 1 d . . . . .
H32A H 0.035851 0.332966 0.941926 0.029 Uiso 1 1 calc R U . . .
H32B H 0.127695 0.407765 0.970125 0.029 Uiso 1 1 calc R U . . .
H32C H 0.120338 0.322369 1.025437 0.029 Uiso 1 1 calc R U . . .
C18 C 0.8845(4) 0.3959(3) 0.5380(3) 0.0260(10) Uani 1 1 d . . . . .
H18A H 0.947686 0.428162 0.569136 0.039 Uiso 1 1 calc R U . . .
H18B H 0.853104 0.430157 0.490254 0.039 Uiso 1 1 calc R U . . .
H18C H 0.916776 0.341581 0.518061 0.039 Uiso 1 1 calc R U . . .
C30 C 0.1850(4) 0.250000 0.7766(3) 0.0106(6) Uani 1 2 d S T P . .
C1 C 0.8977(4) 0.250000 0.6771(4) 0.0163(11) Uani 1 2 d S T P . .
O3 O 0.8427(2) 0.35433(19) 0.81855(16) 0.0164(6) Uani 1 1 d . . . . .
O1 O 0.5449(12) 0.250000 0.7755(8) 0.059(4) Uani 0.647(19) 2 d S T P A 1
O2 O 0.4823(17) 0.250000 0.7257(13) 0.050(6) Uani 0.353(19) 2 d S T P A 2
O9 O 0.0398(13) 0.4933(10) 1.0852(9) 0.034(5) Uiso 0.228(11) 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 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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
CL3 PT01 CL2 90.32(4) . .
CL3 PT01 CL5 89.98(2) . 4_565
CL2 PT01 CL5 88.97(2) . 4_565
CL3 PT01 CL5 89.98(2) . .
CL2 PT01 CL5 88.97(2) . .
CL5 PT01 CL5 177.94(4) 4_565 .
CL3 PT01 CL1 88.62(5) . .
CL2 PT01 CL1 178.94(4) . .
CL5 PT01 CL1 91.03(2) 4_565 .
CL5 PT01 CL1 91.03(2) . .
CL3 PT01 CL4 179.01(4) . .
CL2 PT01 CL4 90.67(5) . .
CL5 PT01 CL4 90.03(2) 4_565 .
CL5 PT01 CL4 90.03(2) . .
CL1 PT01 CL4 90.39(5) . .
PT01 CL2 K2 164.01(6) . 1_454
O8 K1 O6 125.99(8) . .
O8 K1 O6 125.99(8) . 4_565
O6 K1 O6 66.21(11) . 4_565
O8 K1 O7 68.09(6) . .
O6 K1 O7 68.52(8) . .
O6 K1 O7 129.46(8) 4_565 .
O8 K1 O7 68.09(6) . 4_565
O6 K1 O7 129.46(8) . 4_565
O6 K1 O7 68.52(8) 4_565 4_565
O7 K1 O7 132.95(11) . 4_565
O8 K1 CL1 108.70(9) . .
O6 K1 CL1 112.15(7) . .
O6 K1 CL1 112.15(7) 4_565 .
O7 K1 CL1 104.71(6) . .
O7 K1 CL1 104.71(6) 4_565 .
O8 K1 O2 68.8(3) . .
O6 K1 O2 69.9(3) . .
O6 K1 O2 69.9(3) 4_565 .
O7 K1 O2 74.50(11) . .
O7 K1 O2 74.50(11) 4_565 .
CL1 K1 O2 177.5(3) . .
PT01 CL1 K1 157.11(6) . .
O4 K2 O4 128.59(12) . 4_565
O4 K2 O3 132.22(9) . 4_565
O4 K2 O3 69.46(8) 4_565 4_565
O4 K2 O3 69.46(8) . .
O4 K2 O3 132.22(9) 4_565 .
O3 K2 O3 69.16(12) 4_565 .
O4 K2 O5 68.41(6) . .
O4 K2 O5 68.41(6) 4_565 .
O3 K2 O5 134.70(8) 4_565 .
O3 K2 O5 134.70(8) . .
O4 K2 O1 72.06(9) . .
O4 K2 O1 72.06(9) 4_565 .
O3 K2 O1 75.24(19) 4_565 .
O3 K2 O1 75.24(19) . .
O5 K2 O1 76.7(2) . .
O4 K2 CL2 107.08(6) . 1_656
O4 K2 CL2 107.08(6) 4_565 1_656
O3 K2 CL2 106.88(7) 4_565 1_656
O3 K2 CL2 106.88(7) . 1_656
O5 K2 CL2 100.66(8) . 1_656
O1a K2 CL2 177.4(2) . 1_656
C21 O4 K2 137.4(2) . .
C29 O5 K2 129.5(3) . .
C30 O8 K1 144.3(3) . .
C14 O6 K1 139.5(2) . .
C23 O7 K1 131.6(2) . .
C23 N6 C20 120.8(3) . .
C23 N6 C22 114.2(3) . .
C20 N6 C22 124.9(3) . .
C15 N4 C19 121.4(3) . .
C15 N4 C16 113.3(3) . .
C19 N4 C16 125.2(3) . .
C21 N5 C19 120.9(3) . .
C21 N5 C22 112.4(3) . .
C19 N5 C22 125.9(3) . .
C30 N10 C27 120.8(3) . .
C30 N10 C31 112.8(3) . .
C27 N10 C31 126.1(3) . .
C21 N8 C28 120.8(3) . .
C21 N8 C26 113.4(3) . .
C28 N8 C26 125.5(3) . .
C15 N1 C1 120.5(4) . .
C15 N1 C11 112.7(3) . .
C1 N1 C11 126.4(4) . .
C23 N7 C27 121.1(3) . .
C23 N7 C26 113.3(3) . .
C27 N7 C26 125.4(3) . .
C14 N2 C13 121.0(4) . .
C14 N2 C11 113.2(3) . .
C13 N2 C11 125.8(4) . .
C14 N3 C20 120.4(3) . .
C14 N3 C16 112.7(3) . .
C20 N3 C16 125.2(3) . .
C29 N9 C28 121.3(3) . .
C29 N9 C31 113.5(3) . .
C28 N9 C31 125.2(3) . .
O4 C21 N8 125.6(3) . .
O4 C21 N5 125.1(3) . .
N8 C21 N5 109.2(3) . .
O3 C15 N4 126.3(4) . .
O3 C15 N1 125.2(4) . .
N4 C15 N1 108.5(3) . .
N6 C22 N5 113.0(3) . .
N6 C22 C24 111.7(3) . .
N5 C22 C24 111.8(3) . .
N6 C22 C26 101.6(3) . .
N5 C22 C26 103.1(3) . .
C24 C22 C26 115.1(3) . .
O7 C23 N7 126.7(3) . .
O7 C23 N6 125.3(3) . .
N7 C23 N6 108.0(3) . .
N9 C28 N8 114.8(3) . .
N9 C28 H28A 108.6 . .
N8 C28 H28A 108.6 . .
N9 C28 H28B 108.6 . .
N8 C28 H28B 108.6 . .
H28A C28 H28B 107.5 . .
N4 C19 N5 114.3(3) . .
N4 C19 H19A 108.7 . .
N5 C19 H19A 108.7 . .
N4 C19 H19B 108.7 . .
N5 C19 H19B 108.7 . .
H19A C19 H19B 107.6 . .
O6 C14 N3 125.6(3) . .
O6 C14 N2 125.5(3) . .
N3 C14 N2 108.9(3) . .
N7 C26 N8 112.3(3) . .
N7 C26 C25 111.5(3) . .
N8 C26 C25 112.6(3) . .
N7 C26 C22 102.7(3) . .
N8 C26 C22 101.9(3) . .
C25 C26 C22 115.1(3) . .
N6 C20 N3 114.6(3) . .
N6 C20 H20A 108.6 . .
N3 C20 H20A 108.6 . .
N6 C20 H20B 108.6 . .
N3 C20 H20B 108.6 . .
H20A C20 H20B 107.6 . .
N4 C16 N3 112.3(3) . .
N4 C16 C17 111.8(3) . .
N3 C16 C17 111.4(3) . .
N4 C16 C11 102.3(3) . .
N3 C16 C11 103.0(3) . .
C17 C16 C11 115.5(3) . .
C26 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C26 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N7 C27 N10 113.6(3) . .
N7 C27 H27A 108.8 . .
N10 C27 H27A 108.8 . .
N7 C27 H27B 108.9 . .
N10 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
O5 C29 N9 125.8(2) . .
O5 C29 N9 125.8(2) . 4_565
N9 C29 N9 108.5(4) . 4_565
N10 C31 N9 112.4(3) . .
N10 C31 C32 111.8(3) . .
N9 C31 C32 111.7(3) . .
N10 C31 C31 102.6(2) . 4_565
N9 C31 C31 102.21(19) . 4_565
C32 C31 C31 115.5(2) . 4_565
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C13 N2 115.1(4) 4_565 .
N2 C13 H13A 108.5 4_565 .
N2 C13 H13A 108.5 . .
N2 C13 H13B 108.5 4_565 .
N2 C13 H13B 108.5 . .
H13A C13 H13B 107.5 . .
N1 C11 N2 112.4(3) . .
N1 C11 C18 112.1(3) . .
N2 C11 C18 111.1(3) . .
N1 C11 C16 102.9(3) . .
N2 C11 C16 102.1(3) . .
C18 C11 C16 115.6(3) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C11 C18 H18A 109.5 . .
C11 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C11 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O8 C30 N10 125.4(2) . .
O8 C30 N10 125.4(2) . 4_565
N10 C30 N10 109.2(4) . 4_565
N1 C1 N1 114.4(4) . 4_565
C15 O3 K2 130.5(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
PT01 CL3 2.3099(12) .
PT01 CL2 2.3185(12) .
PT01 CL5 2.3264(12) 4_565
PT01 CL5 2.3264(12) .
PT01 CL1 2.3279(12) .
PT01 CL4 2.3353(13) .
CL2 K2 3.352(2) 1_454
K1 O8 2.637(4) .
K1 O6 2.700(3) .
K1 O6 2.700(3) 4_565
K1 O7 2.843(3) .
K1 O7 2.843(3) 4_565
K1 CL1 3.2318(18) .
K1 O2 3.38(2) .
K2 O4 2.671(3) .
K2 O4 2.671(3) 4_565
K2 O3 2.795(3) 4_565
K2 O3 2.795(3) .
K2 O5 2.860(4) .
K2 O1 3.197(14) .
K2 CL2 3.352(2) 1_656
O4 C21 1.228(4) .
O5 C29 1.230(6) .
O8 C30 1.226(6) .
O6 C14 1.221(4) .
O7 C23 1.224(4) .
N6 C23 1.367(5) .
N6 C20 1.442(5) .
N6 C22 1.460(4) .
N4 C15 1.361(5) .
N4 C19 1.448(5) .
N4 C16 1.461(4) .
N5 C21 1.371(5) .
N5 C19 1.456(5) .
N5 C22 1.463(4) .
N10 C30 1.367(4) .
N10 C27 1.448(5) .
N10 C31 1.458(4) .
N8 C21 1.360(5) .
N8 C28 1.452(4) .
N8 C26 1.467(4) .
N1 C15 1.378(5) .
N1 C1 1.448(4) .
N1 C11 1.453(5) .
N7 C23 1.365(4) .
N7 C27 1.447(5) .
N7 C26 1.462(5) .
N2 C14 1.368(5) .
N2 C13 1.450(4) .
N2 C11 1.467(5) .
N3 C14 1.365(5) .
N3 C20 1.446(5) .
N3 C16 1.464(4) .
N9 C29 1.364(4) .
N9 C28 1.447(5) .
N9 C31 1.467(5) .
C15 O3 1.226(4) .
C22 C24 1.517(6) .
C22 C26 1.594(5) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C26 C25 1.515(5) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C16 C17 1.524(5) .
C16 C11 1.584(5) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C29 N9 1.364(4) 4_565
C31 C32 1.517(5) .
C31 C31 1.593(7) 4_565
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C13 N2 1.450(4) 4_565
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C11 C18 1.522(5) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C30 N10 1.367(4) 4_565
C1 N1 1.448(4) 4_565
