#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/88/4308873.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_4308873
loop_
_publ_author_name
'Ho-Chol Chang'
'Katsunori Mochizuki'
'Susumu Kitagawa'
_publ_section_title
;
Effects of Countercations on the Structures and Redox and Spectroscopic
Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported
Ru-Ru Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3810
_journal_page_last               3817
_journal_paper_doi               10.1021/ic048250u
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C64 H100 K2 O12 Ru2'
_chemical_formula_weight         1341.82
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   30.572(3)
_cell_length_b                   30.572(3)
_cell_length_c                   19.309(3)
_cell_measurement_reflns_used    6533
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.8
_cell_volume                     15629(3)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9977
_diffrn_measured_fraction_theta_max 0.9977
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            35529
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_exptl_absorpt_coefficient_mu    0.609
_exptl_absorpt_correction_T_max  0.833
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Coppens_numerical
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4868
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00070|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0420
_reflns_number_gt                4868
_reflns_number_total             7385
_reflns_threshold_expression     F²>4.0σ(F²)
_cod_data_source_file            ic048250usi20041213_123156_2.cif
_cod_data_source_block           complex_5c'
_cod_original_sg_symbol_H-M      'R -3 '
_cod_original_formula_sum        'C64 H100 K2 O12 Ru2 '
_cod_database_code               4308873
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
2/3+x,1/3+y,1/3+z
2/3-y,1/3+x-y,1/3+z
2/3-x+y,1/3-x,1/3+z
2/3-x,1/3-y,1/3-z
2/3+y,1/3-x+y,1/3-z
2/3+x-y,1/3+x,1/3-z
1/3+x,2/3+y,2/3+z
1/3-y,2/3+x-y,2/3+z
1/3-x+y,2/3-x,2/3+z
1/3-x,2/3-y,2/3-z
1/3+y,2/3-x+y,2/3-z
1/3+x-y,2/3+x,2/3-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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru(1) Ru 0.480402(9) 0.461009(9) -0.01828(1) 0.02376(7) Uani 1.00 d . . .
K(1) K 0.42235(3) 0.47098(3) 0.12725(4) 0.0408(2) Uani 1.00 d . . .
O(1) O 0.53690(8) 0.44863(8) -0.0349(1) 0.0283(6) Uani 1.00 d . . .
O(2) O 0.47317(8) 0.42389(8) 0.0680(1) 0.0282(6) Uani 1.00 d . . .
O(3) O 0.47348(8) 0.46729(8) -0.1183(1) 0.0283(5) Uani 1.00 d . . .
O(4) O 0.40898(8) 0.44395(8) -0.01694(10) 0.0276(5) Uani 1.00 d . . .
O(5) O 0.3704(2) 0.3889(1) 0.2029(2) 0.103(1) Uani 1.00 d . . .
O(6) O 0.3794(1) 0.4767(2) 0.2536(2) 0.084(1) Uani 1.00 d . . .
C(1) C 0.5454(1) 0.4258(1) 0.0205(1) 0.0278(8) Uani 1.00 d . . .
C(2) C 0.5840(1) 0.4140(1) 0.0229(2) 0.0308(8) Uani 1.00 d . . .
C(3) C 0.5872(1) 0.3908(1) 0.0839(2) 0.0336(9) Uani 1.00 d . . .
C(4) C 0.5542(1) 0.3787(1) 0.1394(2) 0.0324(8) Uani 1.00 d . . .
C(5) C 0.5153(1) 0.3897(1) 0.1343(2) 0.0291(8) Uani 1.00 d . . .
C(6) C 0.5113(1) 0.4133(1) 0.0754(1) 0.0263(7) Uani 1.00 d . . .
C(7) C 0.6206(1) 0.4254(1) -0.0383(2) 0.0371(9) Uani 1.00 d . . .
C(8) C 0.6521(1) 0.4826(2) -0.0491(2) 0.047(1) Uani 1.00 d . . .
C(9) C 0.5906(2) 0.3994(2) -0.1040(2) 0.052(1) Uani 1.00 d . . .
C(10) C 0.6574(2) 0.4058(2) -0.0259(2) 0.056(1) Uani 1.00 d . . .
C(11) C 0.5618(1) 0.3561(1) 0.2063(2) 0.0386(10) Uani 1.00 d . . .
C(12) C 0.5805(2) 0.3191(2) 0.1912(2) 0.064(2) Uani 1.00 d . . .
C(13) C 0.6015(2) 0.3991(2) 0.2506(3) 0.074(2) Uani 1.00 d . . .
C(14) C 0.5126(2) 0.3283(2) 0.2480(2) 0.055(1) Uani 1.00 d . . .
C(15) C 0.4265(1) 0.4585(1) -0.1361(1) 0.0271(8) Uani 1.00 d . . .
C(16) C 0.4114(1) 0.4580(1) -0.2050(2) 0.0317(8) Uani 1.00 d . . .
C(17) C 0.3621(1) 0.4482(1) -0.2148(2) 0.0353(9) Uani 1.00 d . . .
C(18) C 0.3277(1) 0.4381(1) -0.1615(2) 0.0336(9) Uani 1.00 d . . .
C(19) C 0.3435(1) 0.4369(1) -0.0939(2) 0.0295(8) Uani 1.00 d . . .
C(20) C 0.3923(1) 0.4470(1) -0.0817(1) 0.0263(7) Uani 1.00 d . . .
C(21) C 0.4473(1) 0.4667(2) -0.2657(2) 0.0401(10) Uani 1.00 d . . .
C(22) C 0.4211(2) 0.4605(2) -0.3360(2) 0.060(1) Uani 1.00 d . . .
C(23) C 0.4917(2) 0.5206(2) -0.2626(2) 0.052(1) Uani 1.00 d . . .
C(24) C 0.4651(2) 0.4279(2) -0.2619(2) 0.057(1) Uani 1.00 d . . .
C(25) C 0.2736(1) 0.4258(2) -0.1782(2) 0.047(1) Uani 1.00 d . . .
C(26) C 0.2416(2) 0.3689(2) -0.1952(4) 0.097(2) Uani 1.00 d . . .
C(27) C 0.2717(1) 0.4537(2) -0.2417(2) 0.053(1) Uani 1.00 d . . .
C(28) C 0.2496(2) 0.4378(4) -0.1196(2) 0.114(3) Uani 1.00 d . . .
C(29) C 0.3593(3) 0.3433(2) 0.1708(5) 0.123(3) Uani 1.00 d . . .
C(30) C 0.3411(3) 0.3884(3) 0.2542(4) 0.110(2) Uani 1.00 d . . .
C(31) C 0.3534(3) 0.4326(3) 0.2881(4) 0.116(3) Uani 1.00 d . . .
C(32) C 0.3895(2) 0.5199(3) 0.2920(3) 0.095(2) Uani 1.00 d . . .
H(1) H 0.6136 0.3830 0.0876 0.0402 Uiso 1.00 calc . . .
H(2) H 0.4917 0.3811 0.1709 0.0345 Uiso 1.00 calc . . .
H(3) H 0.6302 0.4958 -0.0568 0.0562 Uiso 1.00 calc . . .
H(4) H 0.6720 0.4978 -0.0089 0.0562 Uiso 1.00 calc . . .
H(5) H 0.6736 0.4895 -0.0879 0.0562 Uiso 1.00 calc . . .
H(6) H 0.6132 0.4076 -0.1418 0.0628 Uiso 1.00 calc . . .
H(7) H 0.5726 0.3639 -0.0972 0.0628 Uiso 1.00 calc . . .
H(8) H 0.5674 0.4108 -0.1134 0.0628 Uiso 1.00 calc . . .
H(9) H 0.6794 0.4142 -0.0645 0.0678 Uiso 1.00 calc . . .
H(10) H 0.6767 0.4211 0.0147 0.0678 Uiso 1.00 calc . . .
H(11) H 0.6390 0.3702 -0.0201 0.0678 Uiso 1.00 calc . . .
H(12) H 0.6115 0.3358 0.1667 0.0758 Uiso 1.00 calc . . .
H(13) H 0.5852 0.3061 0.2336 0.0758 Uiso 1.00 calc . . .
H(14) H 0.5560 0.2918 0.1639 0.0758 Uiso 1.00 calc . . .
H(15) H 0.5904 0.4225 0.2604 0.0881 Uiso 1.00 calc . . .
H(16) H 0.6060 0.3859 0.2927 0.0881 Uiso 1.00 calc . . .
H(17) H 0.6326 0.4158 0.2261 0.0881 Uiso 1.00 calc . . .
H(18) H 0.4881 0.3006 0.2218 0.0665 Uiso 1.00 calc . . .
H(19) H 0.5189 0.3163 0.2901 0.0665 Uiso 1.00 calc . . .
H(20) H 0.5006 0.3509 0.2580 0.0665 Uiso 1.00 calc . . .
H(21) H 0.3514 0.4486 -0.2609 0.0416 Uiso 1.00 calc . . .
H(22) H 0.3207 0.4291 -0.0563 0.0350 Uiso 1.00 calc . . .
H(23) H 0.3933 0.4269 -0.3399 0.0711 Uiso 1.00 calc . . .
H(24) H 0.4092 0.4837 -0.3392 0.0711 Uiso 1.00 calc . . .
H(25) H 0.4444 0.4665 -0.3723 0.0711 Uiso 1.00 calc . . .
H(26) H 0.4796 0.5437 -0.2669 0.0628 Uiso 1.00 calc . . .
H(27) H 0.5088 0.5258 -0.2198 0.0628 Uiso 1.00 calc . . .
H(28) H 0.5143 0.5257 -0.2996 0.0628 Uiso 1.00 calc . . .
H(29) H 0.4880 0.4338 -0.2987 0.0680 Uiso 1.00 calc . . .
H(30) H 0.4814 0.4310 -0.2189 0.0680 Uiso 1.00 calc . . .
H(31) H 0.4368 0.3948 -0.2661 0.0680 Uiso 1.00 calc . . .
H(32) H 0.2553 0.3613 -0.2341 0.1168 Uiso 1.00 calc . . .
H(33) H 0.2417 0.3498 -0.1563 0.1168 Uiso 1.00 calc . . .
H(34) H 0.2079 0.3609 -0.2047 0.1168 Uiso 1.00 calc . . .
H(35) H 0.2375 0.4434 -0.2522 0.0629 Uiso 1.00 calc . . .
H(36) H 0.2898 0.4890 -0.2330 0.0629 Uiso 1.00 calc . . .
H(37) H 0.2865 0.4462 -0.2798 0.0629 Uiso 1.00 calc . . .
H(38) H 0.2158 0.4279 -0.1309 0.1389 Uiso 1.00 calc . . .
H(39) H 0.2504 0.4208 -0.0789 0.1389 Uiso 1.00 calc . . .
H(40) H 0.2679 0.4735 -0.1113 0.1389 Uiso 1.00 calc . . .
H(41) H 0.3837 0.3499 0.1356 0.1471 Uiso 1.00 calc . . .
H(42) H 0.3604 0.3211 0.2041 0.1471 Uiso 1.00 calc . . .
H(43) H 0.3267 0.3283 0.1505 0.1471 Uiso 1.00 calc . . .
H(44) H 0.3082 0.3757 0.2360 0.1310 Uiso 1.00 calc . . .
H(45) H 0.3406 0.3656 0.2884 0.1310 Uiso 1.00 calc . . .
H(46) H 0.3731 0.4347 0.3274 0.1400 Uiso 1.00 calc . . .
H(47) H 0.3227 0.4303 0.3029 0.1400 Uiso 1.00 calc . . .
H(48) H 0.3585 0.5174 0.3058 0.1137 Uiso 1.00 calc . . .
H(49) H 0.4089 0.5225 0.3315 0.1137 Uiso 1.00 calc . . .
H(50) H 0.4077 0.5492 0.2637 0.1137 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
K K 0.200 0.250
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Ru(1) Ru(1) O(1) 101.96(7) 4_665 . . yes
Ru(1) Ru(1) O(2) 101.46(7) 4_665 . . yes
Ru(1) Ru(1) O(3) 103.81(7) 4_665 . . yes
Ru(1) Ru(1) O(4) 102.41(6) 4_665 . . yes
O(1) Ru(1) O(2) 83.29(8) . . . yes
O(1) Ru(1) O(3) 90.37(8) . . . yes
O(1) Ru(1) O(4) 155.62(9) . . . yes
O(2) Ru(1) O(3) 154.71(9) . . . yes
O(2) Ru(1) O(4) 92.64(9) . . . yes
O(3) Ru(1) O(4) 83.09(8) . . . yes
O(1) K(1) O(2) 94.18(6) 4_665 . . yes
O(1) K(1) O(3) 60.29(6) 4_665 . 4_665 yes
O(1) K(1) O(4) 64.45(6) 4_665 . . yes
O(1) K(1) O(5) 170.8(1) 4_665 . . yes
O(1) K(1) O(6) 121.2(1) 4_665 . . yes
O(2) K(1) O(3) 65.59(6) . . 4_665 yes
O(2) K(1) O(4) 59.88(6) . . . yes
O(2) K(1) O(5) 87.9(1) . . . yes
O(2) K(1) O(6) 140.6(1) . . . yes
O(3) K(1) O(4) 94.88(6) 4_665 . . yes
O(3) K(1) O(5) 128.4(1) 4_665 . . yes
O(3) K(1) O(6) 115.02(9) 4_665 . . yes
O(4) K(1) O(5) 109.3(1) . . . yes
O(4) K(1) O(6) 148.53(10) . . . yes
O(5) K(1) O(6) 60.2(1) . . . yes
Ru(1) O(1) K(1) 89.02(7) . . 4_665 yes
Ru(1) O(1) C(1) 112.2(2) . . . yes
K(1) O(1) C(1) 146.8(2) 4_665 . . yes
Ru(1) O(2) K(1) 88.91(7) . . . yes
Ru(1) O(2) C(6) 111.3(2) . . . yes
K(1) O(2) C(6) 146.0(2) . . . yes
Ru(1) O(3) K(1) 89.11(7) . . 4_665 yes
Ru(1) O(3) C(15) 112.5(2) . . . yes
K(1) O(3) C(15) 148.5(2) 4_665 . . yes
Ru(1) O(4) K(1) 87.55(7) . . . yes
Ru(1) O(4) C(20) 111.6(2) . . . yes
K(1) O(4) C(20) 150.3(2) . . . yes
K(1) O(5) C(29) 115.5(4) . . . yes
K(1) O(5) C(30) 120.3(4) . . . yes
C(29) O(5) C(30) 119.4(5) . . . yes
K(1) O(6) C(31) 115.1(4) . . . yes
K(1) O(6) C(32) 128.6(4) . . . yes
C(31) O(6) C(32) 114.9(5) . . . yes
O(1) C(1) C(2) 123.9(3) . . . yes
O(1) C(1) C(6) 115.2(3) . . . yes
C(2) C(1) C(6) 121.0(3) . . . yes
C(1) C(2) C(3) 116.1(3) . . . yes
C(1) C(2) C(7) 121.8(3) . . . yes
C(3) C(2) C(7) 122.1(3) . . . yes
C(2) C(3) C(4) 123.9(3) . . . yes
C(3) C(4) C(5) 118.4(3) . . . yes
C(3) C(4) C(11) 121.0(3) . . . yes
C(5) C(4) C(11) 120.5(3) . . . yes
C(4) C(5) C(6) 119.5(3) . . . yes
O(2) C(6) C(1) 117.6(3) . . . yes
O(2) C(6) C(5) 121.2(3) . . . yes
C(1) C(6) C(5) 121.1(3) . . . yes
C(2) C(7) C(8) 109.5(3) . . . yes
C(2) C(7) C(9) 109.7(3) . . . yes
C(2) C(7) C(10) 112.5(3) . . . yes
C(8) C(7) C(9) 110.5(3) . . . yes
C(8) C(7) C(10) 107.6(3) . . . yes
C(9) C(7) C(10) 107.0(3) . . . yes
C(4) C(11) C(12) 111.7(3) . . . yes
C(4) C(11) C(13) 108.5(3) . . . yes
C(4) C(11) C(14) 111.3(3) . . . yes
C(12) C(11) C(13) 108.3(4) . . . yes
C(12) C(11) C(14) 108.4(3) . . . yes
C(13) C(11) C(14) 108.6(4) . . . yes
O(3) C(15) C(16) 123.1(3) . . . yes
O(3) C(15) C(20) 116.2(3) . . . yes
C(16) C(15) C(20) 120.7(3) . . . yes
C(15) C(16) C(17) 116.4(3) . . . yes
C(15) C(16) C(21) 121.3(3) . . . yes
C(17) C(16) C(21) 122.3(3) . . . yes
C(16) C(17) C(18) 124.2(3) . . . yes
C(17) C(18) C(19) 117.6(3) . . . yes
C(17) C(18) C(25) 120.0(3) . . . yes
C(19) C(18) C(25) 122.2(3) . . . yes
C(18) C(19) C(20) 120.1(3) . . . yes
O(4) C(20) C(15) 116.6(3) . . . yes
O(4) C(20) C(19) 122.3(3) . . . yes
C(15) C(20) C(19) 121.0(3) . . . yes
C(16) C(21) C(22) 111.6(3) . . . yes
C(16) C(21) C(23) 109.4(3) . . . yes
C(16) C(21) C(24) 109.2(3) . . . yes
C(22) C(21) C(23) 107.1(3) . . . yes
C(22) C(21) C(24) 108.1(3) . . . yes
C(23) C(21) C(24) 111.4(3) . . . yes
C(18) C(25) C(26) 108.7(3) . . . yes
C(18) C(25) C(27) 111.9(3) . . . yes
C(18) C(25) C(28) 112.5(4) . . . yes
C(26) C(25) C(27) 106.3(4) . . . yes
C(26) C(25) C(28) 109.0(5) . . . yes
C(27) C(25) C(28) 108.2(4) . . . yes
O(5) C(30) C(31) 119.4(5) . . . yes
O(6) C(31) C(30) 118.9(6) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru(1) Ru(1) 2.1820(5) . 4_665 yes
Ru(1) O(1) 1.970(2) . . yes
Ru(1) O(2) 1.965(2) . . yes
Ru(1) O(3) 1.963(2) . . yes
Ru(1) O(4) 1.975(2) . . yes
K(1) O(1) 2.777(2) . 4_665 yes
K(1) O(2) 2.834(2) . . yes
K(1) O(3) 2.779(2) . 4_665 yes
K(1) O(4) 2.875(2) . . yes
K(1) O(5) 2.641(4) . . yes
K(1) O(6) 2.818(3) . . yes
O(1) C(1) 1.370(4) . . yes
O(2) C(6) 1.364(4) . . yes
O(3) C(15) 1.367(4) . . yes
O(4) C(20) 1.371(3) . . yes
O(5) C(29) 1.403(8) . . yes
O(5) C(30) 1.330(7) . . yes
O(6) C(31) 1.350(8) . . yes
O(6) C(32) 1.406(7) . . yes
C(1) C(2) 1.399(4) . . yes
C(1) C(6) 1.399(4) . . yes
C(2) C(3) 1.403(4) . . yes
C(2) C(7) 1.542(4) . . yes
C(3) C(4) 1.389(5) . . yes
C(4) C(5) 1.393(5) . . yes
C(4) C(11) 1.536(4) . . yes
C(5) C(6) 1.386(4) . . yes
C(7) C(8) 1.531(5) . . yes
C(7) C(9) 1.535(5) . . yes
C(7) C(10) 1.532(5) . . yes
C(11) C(12) 1.531(5) . . yes
C(11) C(13) 1.529(6) . . yes
C(11) C(14) 1.534(6) . . yes
C(15) C(16) 1.405(4) . . yes
C(15) C(20) 1.395(4) . . yes
C(16) C(17) 1.397(4) . . yes
C(16) C(21) 1.535(4) . . yes
C(17) C(18) 1.391(4) . . yes
C(18) C(19) 1.398(4) . . yes
C(18) C(25) 1.534(5) . . yes
C(19) C(20) 1.385(4) . . yes
C(21) C(22) 1.541(5) . . yes
C(21) C(23) 1.524(6) . . yes
C(21) C(24) 1.535(6) . . yes
C(25) C(26) 1.545(7) . . yes
C(25) C(27) 1.513(5) . . yes
C(25) C(28) 1.493(6) . . yes
C(30) C(31) 1.38(1) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
K(1) O(1) 2.777(2) . 4_665 ?
K(1) O(2) 2.834(2) . . ?
K(1) O(3) 2.779(2) . 4_665 ?
K(1) O(4) 2.875(2) . . ?
K(1) O(5) 2.641(4) . . ?
K(1) O(6) 2.818(3) . . ?
