#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:30:29 +0300 (Sat, 06 May 2017) $
#$Revision: 196270 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/99/7119912.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_7119912
loop_
_publ_author_name
'Liu, Jian-Jun'
'Guan, Ying-Fang'
'Li, Ling'
'Chen, Yong'
'Dai, Wen-Xin'
'Huang, Chang-Cang'
'Lin, Mei-Jin'
_publ_section_title
;
 Construction of a bicontinuous donor-acceptor hybrid material at the
 molecular level by inserting inorganic nanowires into porous MOFs.
;
_journal_issue                   32
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4481
_journal_page_last               4484
_journal_paper_doi               10.1039/c7cc00495h
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'C42 H36 I19 K5 N6 O16 Pb6 Zn2'
_chemical_formula_sum            'C42 H36 I19 K5 N6 O16 Pb6 Zn2'
_chemical_formula_weight         4861.25
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-10-13 deposited with the CCDC.
2017-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                93.07(3)
_cell_angle_beta                 103.47(3)
_cell_angle_gamma                90.98(3)
_cell_formula_units_Z            1
_cell_length_a                   12.038(2)
_cell_length_b                   12.491(3)
_cell_length_c                   16.889(3)
_cell_measurement_reflns_used    24246
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.09
_cell_volume                     2465.0(9)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Saturn724 (2x2 bin mode)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24246
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    16.892
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.2888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    3.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         7.063
_refine_diff_density_min         -5.566
_refine_diff_density_rms         0.320
_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     439
_refine_ls_number_reflns         11048
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0622
_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)+(0.0859P)²+53.3500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1731
_refine_ls_wR_factor_ref         0.1905
_reflns_number_gt                8256
_reflns_number_total             11048
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc00495h2.cif
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7119912--7119913.cif.
;
_cod_original_cell_volume        2465.0(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7119912
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
Zn1 Zn 0.6650(4) 0.4359(4) 0.0801(2) 0.1256(14) Uani 1 1 d .
I1 I 0.6518(3) 0.2676(2) -0.01327(19) 0.0754(8) Uani 0.50 1 d P
I2 I 1.13238(12) 0.25565(11) 0.21309(7) 0.0609(3) Uani 1 1 d .
I3 I 1.40457(16) 0.01482(17) 0.26809(9) 0.0972(6) Uani 1 1 d .
I4 I 1.37557(9) 0.28504(9) 0.44508(6) 0.0452(2) Uani 1 1 d .
I5 I 1.01842(12) -0.09816(9) 0.26670(8) 0.0597(3) Uani 1 1 d .
I6 I 1.03484(9) 0.16071(7) 0.46861(6) 0.0428(2) Uani 1 1 d .
I7 I 0.68528(10) -0.22168(9) 0.29728(7) 0.0494(3) Uani 1 1 d .
I8 I 0.76201(13) 0.15180(11) 0.24193(8) 0.0651(4) Uani 1 1 d .
I9 I 0.67769(9) 0.05293(7) 0.49567(6) 0.0425(2) Uani 1 1 d .
I10 I 0.35127(10) -0.35428(11) 0.33848(8) 0.0604(3) Uani 1 1 d .
O1 O 0.6157(13) 0.4312(14) 0.1835(7) 0.080(5) Uani 1 1 d .
O2 O 0.4274(11) 0.4015(12) 0.1255(7) 0.066(4) Uani 1 1 d .
O3 O 0.9991(13) 0.4379(12) 0.8245(8) 0.069(4) Uani 1 1 d .
O4 O 1.1609(17) 0.5083(16) 0.8954(10) 0.109(7) Uani 1 1 d .
O5 O 1.0016(12) 0.7313(12) 0.0209(8) 0.068(4) Uani 1 1 d .
O6 O 0.9234(13) 0.8934(11) 0.0186(10) 0.076(4) Uani 1 1 d .
O7 O 1.2104(12) 0.4999(12) 0.1165(10) 0.077(4) Uani 1 1 d .
O13 O 0.603(3) 0.558(2) 0.033(2) 0.200(15) Uani 1 1 d .
N1 N 0.5899(11) 0.3971(10) 0.3345(7) 0.040(3) Uani 1 1 d .
N2 N 1.0418(10) 0.4916(10) 0.6802(7) 0.035(3) Uani 1 1 d .
N3 N 0.7151(13) 0.8111(11) 0.0150(9) 0.050(3) Uani 1 1 d .
C1 C 0.5140(14) 0.4080(14) 0.1831(9) 0.046(4) Uani 1 1 d .
C2 C 0.4887(14) 0.3781(13) 0.2648(9) 0.045(4) Uani 1 1 d .
H2A H 0.4261 0.4203 0.2751 0.054 Uiso 1 1 calc R
H2B H 0.4648 0.3031 0.2607 0.054 Uiso 1 1 calc R
C3 C 0.6349(14) 0.4960(12) 0.3556(9) 0.041(3) Uani 1 1 d .
H3 H 0.6043 0.5524 0.3245 0.050 Uiso 1 1 calc R
C4 C 0.7238(15) 0.5164(12) 0.4208(10) 0.045(4) Uani 1 1 d .
H4 H 0.7531 0.5861 0.4343 0.054 Uiso 1 1 calc R
C5 C 0.7719(11) 0.4318(11) 0.4685(8) 0.031(3) Uani 1 1 d .
C6 C 0.7271(13) 0.3297(11) 0.4426(10) 0.043(4) Uani 1 1 d .
H6 H 0.7603 0.2714 0.4700 0.051 Uiso 1 1 calc R
C7 C 0.6342(14) 0.3125(12) 0.3773(9) 0.043(3) Uani 1 1 d .
H7 H 0.6024 0.2438 0.3628 0.052 Uiso 1 1 calc R
C8 C 0.8651(12) 0.4513(10) 0.5408(8) 0.030(3) Uani 1 1 d .
C9 C 0.9168(13) 0.3681(12) 0.5865(10) 0.043(3) Uani 1 1 d .
H9 H 0.8924 0.2975 0.5705 0.052 Uiso 1 1 calc R
C10 C 1.0041(14) 0.3896(12) 0.6556(10) 0.045(4) Uani 1 1 d .
H10 H 1.0373 0.3331 0.6855 0.053 Uiso 1 1 calc R
C11 C 0.9911(14) 0.5734(13) 0.6396(10) 0.045(4) Uani 1 1 d .
H11 H 1.0146 0.6433 0.6584 0.054 Uiso 1 1 calc R
C12 C 0.9039(13) 0.5557(11) 0.5696(10) 0.041(3) Uani 1 1 d .
H12 H 0.8710 0.6137 0.5416 0.050 Uiso 1 1 calc R
C13 C 1.1309(14) 0.5109(16) 0.7567(11) 0.056(4) Uani 1 1 d .
H13A H 1.1548 0.5860 0.7628 0.067 Uiso 1 1 calc R
H13B H 1.1968 0.4689 0.7534 0.067 Uiso 1 1 calc R
C14 C 1.0893(19) 0.4819(16) 0.8308(10) 0.059(5) Uani 1 1 d .
C15 C 0.9211(14) 0.7938(15) 0.0213(10) 0.047(4) Uani 1 1 d .
C16 C 0.8059(16) 0.7363(15) 0.0197(13) 0.060(5) Uani 1 1 d .
H16A H 0.7868 0.6850 -0.0269 0.072 Uiso 1 1 calc R
H16B H 0.8133 0.6971 0.0686 0.072 Uiso 1 1 calc R
C17 C 0.652(2) 0.833(2) -0.0593(11) 0.078(7) Uani 1 1 d .
H17 H 0.6642 0.7976 -0.1064 0.093 Uiso 1 1 calc R
C18 C 0.5679(18) 0.9113(18) -0.0627(11) 0.068(6) Uani 1 1 d .
H18 H 0.5265 0.9290 -0.1138 0.082 Uiso 1 1 calc R
C19 C 0.5444(12) 0.9610(11) 0.0028(8) 0.034(3) Uani 1 1 d .
C20 C 0.6125(19) 0.9358(19) 0.0795(12) 0.073(6) Uani 1 1 d .
H20 H 0.6028 0.9710 0.1272 0.088 Uiso 1 1 calc R
C21 C 0.6917(19) 0.860(2) 0.0821(12) 0.085(8) Uani 1 1 d .
H21 H 0.7322 0.8403 0.1329 0.102 Uiso 1 1 calc R
Pb1 Pb 0.85041(5) -0.01154(4) 0.36765(3) 0.04082(16) Uani 1 1 d .
Pb2 Pb 1.21156(5) 0.10173(5) 0.34729(4) 0.04363(17) Uani 1 1 d .
Pb3 Pb 0.50348(5) -0.15888(5) 0.40181(4) 0.04223(16) Uani 1 1 d .
K1 K 0.9068(5) 0.1042(4) 0.0708(3) 0.0792(14) Uani 1 1 d .
K2 K 1.1691(4) 0.7138(4) 0.1555(3) 0.0706(12) Uani 1 1 d .
K3 K 1.0000 0.5000 0.0000 0.0656(16) Uani 1 2 d S
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O13 Zn1 O1 105.4(11) . .
O13 Zn1 O4 96.1(12) . 2_766
O1 Zn1 O4 109.6(6) . 2_766
O13 Zn1 I1 117.0(12) . .
O1 Zn1 I1 120.2(5) . .
O4 Zn1 I1 105.8(6) 2_766 .
Zn1 I1 K2 112.49(15) . 2_765
Zn1 I1 K1 107.31(16) . .
K2 I1 K1 74.88(13) 2_765 .
Pb2 I2 K1 103.20(10) . .
Pb2 I3 Pb3 97.55(5) . 1_655
Pb2 I4 Pb3 99.32(4) . 2_756
Pb1 I5 Pb2 91.23(4) . .
Pb1 I5 K2 160.66(9) . 1_545
Pb2 I5 K2 105.45(9) . 1_545
Pb1 I6 Pb2 90.60(4) . .
Pb3 I7 Pb1 93.47(4) . .
Pb1 I8 K1 107.34(10) . .
Pb3 I9 Pb2 90.88(4) 2_656 2_756
Pb3 I9 Pb1 168.40(3) 2_656 .
Pb2 I9 Pb1 100.16(4) 2_756 .
Pb3 I9 Pb3 96.67(4) 2_656 .
Pb2 I9 Pb3 89.50(4) 2_756 .
Pb1 I9 Pb3 87.05(4) . .
Pb3 I10 K2 106.27(10) . 1_445
C1 O1 Zn1 120.4(11) . .
C14 O3 K2 160.7(14) . 2_766
C14 O3 K3 91.6(12) . 1_556
K2 O3 K3 81.8(3) 2_766 1_556
C14 O4 Zn1 132.5(17) . 2_766
C14 O4 K3 95.5(15) . 1_556
Zn1 O4 K3 131.4(7) 2_766 1_556
C15 O5 K2 120.8(11) . .
C15 O5 K3 130.4(12) . .
K2 O5 K3 87.0(4) . .
C15 O5 K1 86.0(10) . 2_765
K2 O5 K1 104.0(5) . 2_765
K3 O5 K1 129.4(5) . 2_765
C15 O6 K1 157.3(13) . 1_565
C15 O6 K1 94.1(11) . 2_765
K1 O6 K1 105.2(5) 1_565 2_765
K2 O7 K3 86.2(4) . .
C3 N1 C7 120.6(13) . .
C3 N1 C2 120.5(13) . .
C7 N1 C2 118.9(13) . .
C11 N2 C10 119.8(13) . .
C11 N2 C13 120.9(13) . .
C10 N2 C13 119.0(13) . .
C21 N3 C17 119.5(17) . .
C21 N3 C16 122.1(16) . .
C17 N3 C16 118.4(16) . .
O2 C1 O1 130.0(15) . .
O2 C1 C2 112.9(14) . .
O1 C1 C2 117.0(14) . .
N1 C2 C1 112.3(13) . .
N1 C2 H2A 109.1 . .
C1 C2 H2A 109.1 . .
N1 C2 H2B 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.9 . .
N1 C3 C4 121.9(13) . .
N1 C3 H3 119.1 . .
C4 C3 H3 119.1 . .
C3 C4 C5 119.9(13) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 116.7(13) . .
C6 C5 C8 121.8(12) . .
C4 C5 C8 121.5(12) . .
C7 C6 C5 121.6(13) . .
C7 C6 H6 119.2 . .
C5 C6 H6 119.2 . .
N1 C7 C6 119.1(14) . .
N1 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C9 C8 C12 116.7(13) . .
C9 C8 C5 122.2(12) . .
C12 C8 C5 121.1(12) . .
C10 C9 C8 120.7(14) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
N2 C10 C9 121.0(14) . .
N2 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
N2 C11 C12 121.2(14) . .
N2 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C11 C12 C8 120.6(13) . .
C11 C12 H12 119.7 . .
C8 C12 H12 119.7 . .
N2 C13 C14 112.3(14) . .
N2 C13 H13A 109.1 . .
C14 C13 H13A 109.1 . .
N2 C13 H13B 109.1 . .
C14 C13 H13B 109.1 . .
H13A C13 H13B 107.9 . .
O3 C14 O4 127(2) . .
O3 C14 C13 121.5(16) . .
O4 C14 C13 111.7(19) . .
O3 C14 K3 67.1(11) . 1_556
O4 C14 K3 62.2(13) . 1_556
C13 C14 K3 162.2(13) . 1_556
O6 C15 O5 127.7(17) . .
O6 C15 C16 118.3(16) . .
O5 C15 C16 113.9(16) . .
O6 C15 K1 62.7(9) . 2_765
O5 C15 K1 70.6(10) . 2_765
C16 C15 K1 150.4(12) . 2_765
O6 C15 K2 109.6(12) . .
O5 C15 K2 41.3(9) . .
C16 C15 K2 119.1(11) . .
K1 C15 K2 84.2(4) 2_765 .
N3 C16 C15 111.6(15) . .
N3 C16 H16A 109.3 . .
C15 C16 H16A 109.3 . .
N3 C16 H16B 109.3 . .
C15 C16 H16B 109.3 . .
H16A C16 H16B 108.0 . .
N3 C17 C18 117.5(17) . .
N3 C17 H17 121.3 . .
C18 C17 H17 121.3 . .
C19 C18 C17 123.8(16) . .
C19 C18 H18 118.1 . .
C17 C18 H18 118.1 . .
C18 C19 C20 116.7(15) . .
C18 C19 C19 122.4(16) . 2_675
C20 C19 C19 120.9(16) . 2_675
C21 C20 C19 118.9(17) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
N3 C21 C20 123.4(18) . .
N3 C21 H21 118.3 . .
C20 C21 H21 118.3 . .
I8 Pb1 I5 91.15(5) . .
I8 Pb1 I6 90.31(4) . .
I5 Pb1 I6 92.34(4) . .
I8 Pb1 I7 102.44(5) . .
I5 Pb1 I7 87.95(4) . .
I6 Pb1 I7 167.24(3) . .
I8 Pb1 I9 97.11(4) . .
I5 Pb1 I9 171.67(4) . .
I6 Pb1 I9 88.77(4) . .
I7 Pb1 I9 89.15(4) . .
I2 Pb2 I3 92.59(5) . .
I2 Pb2 I4 88.40(4) . .
I3 Pb2 I4 91.06(6) . .
I2 Pb2 I6 100.80(4) . .
I3 Pb2 I6 166.46(4) . .
I4 Pb2 I6 87.32(4) . .
I2 Pb2 I5 96.44(5) . .
I3 Pb2 I5 95.76(6) . .
I4 Pb2 I5 171.43(4) . .
I6 Pb2 I5 84.83(4) . .
I2 Pb2 I9 174.32(4) . 2_756
I3 Pb2 I9 85.97(4) . 2_756
I4 Pb2 I9 86.14(4) . 2_756
I6 Pb2 I9 80.51(3) . 2_756
I5 Pb2 I9 89.17(4) . 2_756
I10 Pb3 I4 89.17(4) . 2_756
I10 Pb3 I7 93.71(4) . .
I4 Pb3 I7 94.66(4) 2_756 .
I10 Pb3 I3 102.42(6) . 1_455
I4 Pb3 I3 167.92(5) 2_756 1_455
I7 Pb3 I3 88.05(4) . 1_455
I10 Pb3 I9 93.63(4) . 2_656
I4 Pb3 I9 91.01(4) 2_756 2_656
I7 Pb3 I9 170.79(3) . 2_656
I3 Pb3 I9 84.93(4) 1_455 2_656
I10 Pb3 I9 173.39(4) . .
I4 Pb3 I9 85.03(4) 2_756 .
I7 Pb3 I9 89.92(4) . .
I3 Pb3 I9 83.21(5) 1_455 .
I9 Pb3 I9 83.33(4) 2_656 .
O6 K1 O6 74.8(5) 1_545 2_765
O6 K1 O5 116.0(4) 1_545 2_765
O6 K1 O5 45.5(4) 2_765 2_765
O6 K1 C15 97.5(5) 1_545 2_765
O6 K1 C15 23.2(4) 2_765 2_765
O5 K1 C15 23.4(4) 2_765 2_765
O6 K1 I2 124.0(4) 1_545 .
O6 K1 I2 79.4(3) 2_765 .
O5 K1 I2 72.2(3) 2_765 .
C15 K1 I2 69.5(3) 2_765 .
O6 K1 I8 116.5(4) 1_545 .
O6 K1 I8 160.2(4) 2_765 .
O5 K1 I8 127.4(3) 2_765 .
C15 K1 I8 143.8(4) 2_765 .
I2 K1 I8 80.85(11) . .
O6 K1 I1 122.4(4) 1_545 .
O6 K1 I1 114.5(4) 2_765 .
O5 K1 I1 76.3(3) 2_765 .
C15 K1 I1 98.3(4) 2_765 .
I2 K1 I1 113.42(15) . .
I8 K1 I1 74.41(11) . .
O6 K1 K1 37.8(3) 1_545 2_755
O6 K1 K1 37.0(3) 2_765 2_755
O5 K1 K1 80.1(3) 2_765 2_755
C15 K1 K1 59.9(4) 2_765 2_755
I2 K1 K1 103.37(19) . 2_755
I8 K1 K1 151.2(2) . 2_755
I1 K1 K1 126.7(2) . 2_755
O6 K1 K2 105.5(4) 1_545 2_765
O6 K1 K2 63.6(4) 2_765 2_765
O5 K1 K2 35.7(3) 2_765 2_765
C15 K1 K2 51.1(3) 2_765 2_765
I2 K1 K2 105.89(14) . 2_765
I8 K1 K2 123.43(16) . 2_765
I1 K1 K2 50.95(11) . 2_765
K1 K1 K2 83.34(16) 2_755 2_765
O5 K2 O7 94.2(5) . .
O5 K2 O3 77.2(4) . 2_766
O7 K2 O3 64.7(5) . 2_766
O5 K2 C15 18.0(4) . .
O7 K2 C15 109.7(4) . .
O3 K2 C15 77.0(4) 2_766 .
O5 K2 I10 167.8(4) . 1_665
O7 K2 I10 79.2(3) . 1_665
O3 K2 I10 90.7(3) 2_766 1_665
C15 K2 I10 159.0(3) . 1_665
O5 K2 I1 82.7(3) . 2_765
O7 K2 I1 76.2(4) . 2_765
O3 K2 I1 134.0(3) 2_766 2_765
C15 K2 I1 95.3(3) . 2_765
I10 K2 I1 105.38(14) 1_665 2_765
O5 K2 I5 89.0(3) . 1_565
O7 K2 I5 147.1(4) . 1_565
O3 K2 I5 84.2(3) 2_766 1_565
C15 K2 I5 71.1(3) . 1_565
I10 K2 I5 91.07(12) 1_665 1_565
I1 K2 I5 136.63(16) 2_765 1_565
O5 K2 K3 48.7(3) . .
O7 K2 K3 47.2(3) . .
O3 K2 K3 51.2(3) 2_766 .
C15 K2 K3 62.6(3) . .
I10 K2 K3 121.89(14) 1_665 .
I1 K2 K3 84.70(11) 2_765 .
I5 K2 K3 120.27(13) 1_565 .
O5 K2 K1 40.4(3) . 2_765
O7 K2 K1 109.8(4) . 2_765
O3 K2 K1 117.5(3) 2_766 2_765
C15 K2 K1 44.6(3) . 2_765
I10 K2 K1 151.68(16) 1_665 2_765
I1 K2 K1 54.17(12) 2_765 2_765
I5 K2 K1 93.63(12) 1_565 2_765
K3 K2 K1 79.04(11) . 2_765
O7 K3 O7 180.0(6) . 2_765
O7 K3 O5 90.7(4) . 2_765
O7 K3 O5 89.3(4) 2_765 2_765
O7 K3 O5 89.3(4) . .
O7 K3 O5 90.7(4) 2_765 .
O5 K3 O5 180.0(6) 2_765 .
O7 K3 O4 79.0(5) . 1_554
O7 K3 O4 101.0(5) 2_765 1_554
O5 K3 O4 88.2(5) 2_765 1_554
O5 K3 O4 91.8(5) . 1_554
O7 K3 O4 101.0(5) . 2_766
O7 K3 O4 79.0(5) 2_765 2_766
O5 K3 O4 91.8(5) 2_765 2_766
O5 K3 O4 88.2(5) . 2_766
O4 K3 O4 180.000(1) 1_554 2_766
O7 K3 O3 117.9(4) . 1_554
O7 K3 O3 62.1(4) 2_765 1_554
O5 K3 O3 71.3(4) 2_765 1_554
O5 K3 O3 108.7(4) . 1_554
O4 K3 O3 43.0(4) 1_554 1_554
O4 K3 O3 137.0(4) 2_766 1_554
O7 K3 O3 62.1(4) . 2_766
O7 K3 O3 117.9(4) 2_765 2_766
O5 K3 O3 108.7(4) 2_765 2_766
O5 K3 O3 71.3(4) . 2_766
O4 K3 O3 137.0(4) 1_554 2_766
O4 K3 O3 43.0(4) 2_766 2_766
O3 K3 O3 180.000(1) 1_554 2_766
O7 K3 C14 79.6(5) . 2_766
O7 K3 C14 100.4(5) 2_765 2_766
O5 K3 C14 98.0(4) 2_765 2_766
O5 K3 C14 82.0(4) . 2_766
O4 K3 C14 157.7(5) 1_554 2_766
O4 K3 C14 22.3(5) 2_766 2_766
O3 K3 C14 158.8(4) 1_554 2_766
O3 K3 C14 21.2(4) 2_766 2_766
O7 K3 C14 100.4(5) . 1_554
O7 K3 C14 79.6(5) 2_765 1_554
O5 K3 C14 82.0(4) 2_765 1_554
O5 K3 C14 98.0(4) . 1_554
O4 K3 C14 22.3(5) 1_554 1_554
O4 K3 C14 157.7(5) 2_766 1_554
O3 K3 C14 21.2(4) 1_554 1_554
O3 K3 C14 158.8(4) 2_766 1_554
C14 K3 C14 180.000(1) 2_766 1_554
O7 K3 K2 46.7(3) . .
O7 K3 K2 133.3(3) 2_765 .
O5 K3 K2 135.7(3) 2_765 .
O5 K3 K2 44.3(3) . .
O4 K3 K2 93.2(3) 1_554 .
O4 K3 K2 86.8(3) 2_766 .
O3 K3 K2 133.0(3) 1_554 .
O3 K3 K2 47.0(3) 2_766 .
C14 K3 K2 67.4(4) 2_766 .
C14 K3 K2 112.6(4) 1_554 .
O7 K3 K2 133.3(3) . 2_765
O7 K3 K2 46.7(3) 2_765 2_765
O5 K3 K2 44.3(3) 2_765 2_765
O5 K3 K2 135.7(3) . 2_765
O4 K3 K2 86.8(3) 1_554 2_765
O4 K3 K2 93.2(3) 2_766 2_765
O3 K3 K2 47.0(3) 1_554 2_765
O3 K3 K2 133.0(3) 2_766 2_765
C14 K3 K2 112.6(4) 2_766 2_765
C14 K3 K2 67.4(4) 1_554 2_765
K2 K3 K2 180.0 . 2_765
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O13 1.84(3) .
Zn1 O1 1.974(12) .
Zn1 O4 2.137(19) 2_766
Zn1 I1 2.539(6) .
I1 K2 3.595(6) 2_765
I1 K1 3.754(7) .
I2 Pb2 3.0438(16) .
I2 K1 3.609(6) .
I3 Pb2 3.1216(18) .
I3 Pb3 3.2536(18) 1_655
I4 Pb2 3.1288(17) .
I4 Pb3 3.1704(15) 2_756
I5 Pb1 3.1067(15) .
I5 Pb2 3.3846(18) .
I5 K2 3.687(5) 1_545
I6 Pb1 3.1853(17) .
I6 Pb2 3.3450(15) .
I7 Pb3 3.1988(15) .
I7 Pb1 3.2620(17) .
I8 Pb1 3.0478(17) .
I8 K1 3.734(5) .
I9 Pb3 3.3344(15) 2_656
I9 Pb2 3.3961(16) 2_756
I9 Pb1 3.4077(14) .
I9 Pb3 3.4239(17) .
I10 Pb3 3.0187(17) .
I10 K2 3.504(5) 1_445
O1 C1 1.25(2) .
O2 C1 1.25(2) .
O3 C14 1.19(2) .
O3 K2 2.838(15) 2_766
O3 K3 3.021(13) 1_556
O4 C14 1.25(2) .
O4 Zn1 2.137(19) 2_766
O4 K3 2.91(2) 1_556
O5 C15 1.26(2) .
O5 K2 2.685(14) .
O5 K3 2.891(15) .
O5 K1 2.983(15) 2_765
O6 C15 1.25(2) .
O6 K1 2.757(14) 1_565
O6 K1 2.811(15) 2_765
O7 K2 2.799(15) .
O7 K3 2.822(14) .
N1 C3 1.337(19) .
N1 C7 1.36(2) .
N1 C2 1.489(19) .
N2 C11 1.34(2) .
N2 C10 1.356(19) .
N2 C13 1.48(2) .
N3 C21 1.35(2) .
N3 C17 1.35(2) .
N3 C16 1.44(2) .
C1 C2 1.543(19) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.36(2) .
C3 H3 0.9300 .
C4 C5 1.41(2) .
C4 H4 0.9300 .
C5 C6 1.383(19) .
C5 C8 1.460(19) .
C6 C7 1.38(2) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.40(2) .
C8 C12 1.400(19) .
C9 C10 1.39(2) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.39(2) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.51(3) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 K3 3.28(2) 1_556
C15 C16 1.55(2) .
C15 K1 3.155(17) 2_765
C15 K2 3.498(17) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.42(3) .
C17 H17 0.9300 .
C18 C19 1.33(2) .
C18 H18 0.9300 .
C19 C20 1.42(2) .
C19 C19 1.45(3) 2_675
C20 C21 1.35(3) .
C20 H20 0.9300 .
C21 H21 0.9300 .
Pb2 I9 3.3961(16) 2_756
Pb3 I4 3.1704(15) 2_756
Pb3 I3 3.2536(18) 1_455
Pb3 I9 3.3344(15) 2_656
K1 O6 2.757(14) 1_545
K1 O6 2.811(15) 2_765
K1 O5 2.983(15) 2_765
K1 C15 3.155(17) 2_765
K1 K1 4.424(10) 2_755
K1 K2 4.470(8) 2_765
K2 O3 2.838(15) 2_766
K2 I10 3.504(5) 1_665
K2 I1 3.595(6) 2_765
K2 I5 3.687(5) 1_565
K2 K3 3.840(5) .
K2 K1 4.470(8) 2_765
K3 O7 2.822(14) 2_765
K3 O5 2.891(15) 2_765
K3 O4 2.91(2) 1_554
K3 O4 2.91(2) 2_766
K3 O3 3.021(13) 1_554
K3 O3 3.021(13) 2_766
K3 C14 3.28(2) 2_766
K3 C14 3.28(2) 1_554
K3 K2 3.840(5) 2_765
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
O13 Zn1 I1 K2 69.3(11) . 2_765
O1 Zn1 I1 K2 -160.9(6) . 2_765
O4 Zn1 I1 K2 -36.3(5) 2_766 2_765
O13 Zn1 I1 K1 149.7(11) . .
O1 Zn1 I1 K1 -80.5(6) . .
O4 Zn1 I1 K1 44.1(5) 2_766 .
O13 Zn1 O1 C1 73(2) . .
O4 Zn1 O1 C1 174.9(16) 2_766 .
I1 Zn1 O1 C1 -62.3(18) . .
Zn1 O1 C1 O2 -12(3) . .
Zn1 O1 C1 C2 164.9(12) . .
C3 N1 C2 C1 63(2) . .
C7 N1 C2 C1 -118.7(15) . .
O2 C1 C2 N1 -174.1(15) . .
O1 C1 C2 N1 8(2) . .
C7 N1 C3 C4 -2(2) . .
C2 N1 C3 C4 177.1(15) . .
N1 C3 C4 C5 0(3) . .
C3 C4 C5 C6 3(2) . .
C3 C4 C5 C8 -177.9(14) . .
C4 C5 C6 C7 -5(2) . .
C8 C5 C6 C7 175.9(14) . .
C3 N1 C7 C6 0(2) . .
C2 N1 C7 C6 -179.2(14) . .
C5 C6 C7 N1 4(2) . .
C6 C5 C8 C9 2(2) . .
C4 C5 C8 C9 -177.2(14) . .
C6 C5 C8 C12 -175.3(14) . .
C4 C5 C8 C12 5(2) . .
C12 C8 C9 C10 -2(2) . .
C5 C8 C9 C10 -179.0(14) . .
C11 N2 C10 C9 3(2) . .
C13 N2 C10 C9 176.8(15) . .
C8 C9 C10 N2 0(2) . .
C10 N2 C11 C12 -3(2) . .
C13 N2 C11 C12 -177.2(15) . .
N2 C11 C12 C8 1(2) . .
C9 C8 C12 C11 1(2) . .
C5 C8 C12 C11 178.6(14) . .
C11 N2 C13 C14 108.5(18) . .
C10 N2 C13 C14 -65(2) . .
K2 O3 C14 O4 -51(6) 2_766 .
K3 O3 C14 O4 19(3) 1_556 .
K2 O3 C14 C13 128(3) 2_766 .
K3 O3 C14 C13 -162.4(17) 1_556 .
K2 O3 C14 K3 -70(4) 2_766 1_556
Zn1 O4 C14 O3 168.8(18) 2_766 .
K3 O4 C14 O3 -19(3) 1_556 .
Zn1 O4 C14 C13 -10(3) 2_766 .
K3 O4 C14 C13 161.5(14) 1_556 .
Zn1 O4 C14 K3 -172(2) 2_766 1_556
N2 C13 C14 O3 8(3) . .
N2 C13 C14 O4 -173.4(18) . .
N2 C13 C14 K3 -107(4) . 1_556
K1 O6 C15 O5 -119(3) 1_565 .
K1 O6 C15 O5 29(2) 2_765 .
K1 O6 C15 C16 65(4) 1_565 .
K1 O6 C15 C16 -146.5(14) 2_765 .
K1 O6 C15 K1 -148(4) 1_565 2_765
K1 O6 C15 K2 -76(3) 1_565 .
K1 O6 C15 K2 72.3(8) 2_765 .
K2 O5 C15 O6 76(2) . .
K3 O5 C15 O6 -168.5(14) . .
K1 O5 C15 O6 -27.6(19) 2_765 .
K2 O5 C15 C16 -107.6(15) . .
K3 O5 C15 C16 8(2) . .
K1 O5 C15 C16 148.5(13) 2_765 .
K2 O5 C15 K1 103.9(10) . 2_765
K3 O5 C15 K1 -140.9(12) . 2_765
K3 O5 C15 K2 115.2(17) . .
K1 O5 C15 K2 -103.9(10) 2_765 .
C21 N3 C16 C15 -88(2) . .
C17 N3 C16 C15 92(2) . .
O6 C15 C16 N3 0(2) . .
O5 C15 C16 N3 -176.4(15) . .
K1 C15 C16 N3 -84(3) 2_765 .
K2 C15 C16 N3 137.6(12) . .
C21 N3 C17 C18 3(3) . .
C16 N3 C17 C18 -176(2) . .
N3 C17 C18 C19 -3(4) . .
C17 C18 C19 C20 3(3) . .
C17 C18 C19 C19 -178(2) . 2_675
C18 C19 C20 C21 -4(3) . .
C19 C19 C20 C21 178(2) 2_675 .
C17 N3 C21 C20 -4(4) . .
C16 N3 C21 C20 175(2) . .
C19 C20 C21 N3 5(4) . .
K1 I8 Pb1 I5 3.57(10) . .
K1 I8 Pb1 I6 95.92(10) . .
K1 I8 Pb1 I7 -84.59(10) . .
K1 I8 Pb1 I9 -175.29(9) . .
Pb2 I5 Pb1 I8 82.64(5) . .
K2 I5 Pb1 I8 -127.4(3) 1_545 .
Pb2 I5 Pb1 I6 -7.72(4) . .
K2 I5 Pb1 I6 142.3(3) 1_545 .
Pb2 I5 Pb1 I7 -174.96(3) . .
K2 I5 Pb1 I7 -25.0(3) 1_545 .
Pb2 I5 Pb1 I9 -105.2(2) . .
K2 I5 Pb1 I9 44.8(4) 1_545 .
Pb2 I6 Pb1 I8 -83.35(4) . .
Pb2 I6 Pb1 I5 7.81(4) . .
Pb2 I6 Pb1 I7 98.88(15) . .
Pb2 I6 Pb1 I9 179.55(3) . .
Pb3 I7 Pb1 I8 -92.11(4) . .
Pb3 I7 Pb1 I5 177.17(4) . .
Pb3 I7 Pb1 I6 85.61(16) . .
Pb3 I7 Pb1 I9 4.98(3) . .
Pb3 I9 Pb1 I8 -11.3(2) 2_656 .
Pb2 I9 Pb1 I8 -173.26(4) 2_756 .
Pb3 I9 Pb1 I8 97.78(4) . .
Pb3 I9 Pb1 I5 176.6(2) 2_656 .
Pb2 I9 Pb1 I5 14.7(3) 2_756 .
Pb3 I9 Pb1 I5 -74.3(3) . .
Pb3 I9 Pb1 I6 78.8(2) 2_656 .
Pb2 I9 Pb1 I6 -83.10(4) 2_756 .
Pb3 I9 Pb1 I6 -172.07(3) . .
Pb3 I9 Pb1 I7 -113.76(19) 2_656 .
Pb2 I9 Pb1 I7 84.31(4) 2_756 .
Pb3 I9 Pb1 I7 -4.65(3) . .
K1 I2 Pb2 I3 93.78(10) . .
K1 I2 Pb2 I4 -175.23(9) . .
K1 I2 Pb2 I6 -88.26(9) . .
K1 I2 Pb2 I5 -2.32(9) . .
K1 I2 Pb2 I9 168.9(4) . 2_756
Pb3 I3 Pb2 I2 -179.18(5) 1_655 .
Pb3 I3 Pb2 I4 92.37(6) 1_655 .
Pb3 I3 Pb2 I6 9.4(3) 1_655 .
Pb3 I3 Pb2 I5 -82.44(6) 1_655 .
Pb3 I3 Pb2 I9 6.32(5) 1_655 2_756
Pb3 I4 Pb2 I2 -177.59(4) 2_756 .
Pb3 I4 Pb2 I3 -85.03(4) 2_756 .
Pb3 I4 Pb2 I6 81.52(4) 2_756 .
Pb3 I4 Pb2 I5 57.8(3) 2_756 .
Pb3 I4 Pb2 I9 0.86(3) 2_756 2_756
Pb1 I6 Pb2 I2 88.41(4) . .
Pb1 I6 Pb2 I3 -100.4(2) . .
Pb1 I6 Pb2 I4 176.26(3) . .
Pb1 I6 Pb2 I5 -7.19(3) . .
Pb1 I6 Pb2 I9 -97.21(4) . 2_756
Pb1 I5 Pb2 I2 -92.95(5) . .
K2 I5 Pb2 I2 96.95(9) 1_545 .
Pb1 I5 Pb2 I3 173.78(4) . .
K2 I5 Pb2 I3 3.68(9) 1_545 .
Pb1 I5 Pb2 I4 31.2(3) . .
K2 I5 Pb2 I4 -138.9(2) 1_545 .
Pb1 I5 Pb2 I6 7.37(3) . .
K2 I5 Pb2 I6 -162.73(9) 1_545 .
Pb1 I5 Pb2 I9 87.92(4) . 2_756
K2 I5 Pb2 I9 -82.19(9) 1_545 2_756
K2 I10 Pb3 I4 179.41(9) 1_445 2_756
K2 I10 Pb3 I7 -85.97(10) 1_445 .
K2 I10 Pb3 I3 2.85(10) 1_445 1_455
K2 I10 Pb3 I9 88.45(9) 1_445 2_656
K2 I10 Pb3 I9 150.9(3) 1_445 .
Pb1 I7 Pb3 I10 -179.43(4) . .
Pb1 I7 Pb3 I4 -89.96(4) . 2_756
Pb1 I7 Pb3 I3 78.25(6) . 1_455
Pb1 I7 Pb3 I9 37.8(2) . 2_656
Pb1 I7 Pb3 I9 -4.96(3) . .
Pb3 I9 Pb3 I10 -62.9(3) 2_656 .
Pb2 I9 Pb3 I10 27.9(3) 2_756 .
Pb1 I9 Pb3 I10 128.1(3) . .
Pb3 I9 Pb3 I4 -91.60(4) 2_656 2_756
Pb2 I9 Pb3 I4 -0.78(3) 2_756 2_756
Pb1 I9 Pb3 I4 99.43(4) . 2_756
Pb3 I9 Pb3 I7 173.71(3) 2_656 .
Pb2 I9 Pb3 I7 -95.46(4) 2_756 .
Pb1 I9 Pb3 I7 4.74(3) . .
Pb3 I9 Pb3 I3 85.66(4) 2_656 1_455
Pb2 I9 Pb3 I3 176.49(3) 2_756 1_455
Pb1 I9 Pb3 I3 -83.31(4) . 1_455
Pb3 I9 Pb3 I9 0.0 2_656 2_656
Pb2 I9 Pb3 I9 90.83(4) 2_756 2_656
Pb1 I9 Pb3 I9 -168.97(4) . 2_656
Pb2 I2 K1 O6 -46.1(4) . 1_545
Pb2 I2 K1 O6 -109.4(3) . 2_765
Pb2 I2 K1 O5 -155.9(3) . 2_765
Pb2 I2 K1 C15 -131.3(4) . 2_765
Pb2 I2 K1 I8 69.80(9) . .
Pb2 I2 K1 I1 138.30(12) . .
Pb2 I2 K1 K1 -81.12(18) . 2_755
Pb2 I2 K1 K2 -167.90(10) . 2_765
Pb1 I8 K1 O6 43.5(4) . 1_545
Pb1 I8 K1 O6 -77.9(11) . 2_765
Pb1 I8 K1 O5 -139.3(4) . 2_765
Pb1 I8 K1 C15 -114.9(6) . 2_765
Pb1 I8 K1 I2 -80.10(10) . .
Pb1 I8 K1 I1 162.32(7) . .
Pb1 I8 K1 K1 21.0(5) . 2_755
Pb1 I8 K1 K2 176.83(14) . 2_765
Zn1 I1 K1 O6 166.9(4) . 1_545
K2 I1 K1 O6 -83.8(4) 2_765 1_545
Zn1 I1 K1 O6 -106.1(4) . 2_765
K2 I1 K1 O6 3.2(4) 2_765 2_765
Zn1 I1 K1 O5 -80.8(3) . 2_765
K2 I1 K1 O5 28.5(3) 2_765 2_765
Zn1 I1 K1 C15 -88.6(4) . 2_765
K2 I1 K1 C15 20.7(3) 2_765 2_765
Zn1 I1 K1 I2 -17.4(2) . .
K2 I1 K1 I2 91.88(16) 2_765 .
Zn1 I1 K1 I8 55.05(15) . .
K2 I1 K1 I8 164.37(13) 2_765 .
Zn1 I1 K1 K1 -147.0(2) . 2_755
K2 I1 K1 K1 -37.7(2) 2_765 2_755
Zn1 I1 K1 K2 -109.32(16) . 2_765
C15 O5 K2 O7 150.2(14) . .
K3 O5 K2 O7 13.9(5) . .
K1 O5 K2 O7 -116.0(5) 2_765 .
C15 O5 K2 O3 87.3(14) . 2_766
K3 O5 K2 O3 -49.0(4) . 2_766
K1 O5 K2 O3 -178.9(5) 2_765 2_766
K3 O5 K2 C15 -136.3(15) . .
K1 O5 K2 C15 93.7(14) 2_765 .
C15 O5 K2 I10 94(2) . 1_665
K3 O5 K2 I10 -42.8(18) . 1_665
K1 O5 K2 I10 -172.7(13) 2_765 1_665
C15 O5 K2 I1 -134.3(14) . 2_765
K3 O5 K2 I1 89.4(3) . 2_765
K1 O5 K2 I1 -40.6(3) 2_765 2_765
C15 O5 K2 I5 3.0(13) . 1_565
K3 O5 K2 I5 -133.3(3) . 1_565
K1 O5 K2 I5 96.8(4) 2_765 1_565
C15 O5 K2 K3 136.3(15) . .
K1 O5 K2 K3 -129.9(5) 2_765 .
C15 O5 K2 K1 -93.7(14) . 2_765
K3 O5 K2 K1 129.9(5) . 2_765
K3 O7 K2 O5 -14.3(5) . .
K3 O7 K2 O3 59.4(4) . 2_766
K3 O7 K2 C15 -4.9(5) . .
K3 O7 K2 I10 155.4(4) . 1_665
K3 O7 K2 I1 -95.6(3) . 2_765
K3 O7 K2 I5 80.4(7) . 1_565
K3 O7 K2 K1 -52.5(4) . 2_765
O6 C15 K2 O5 -125(2) . .
C16 C15 K2 O5 93.9(19) . .
K1 C15 K2 O5 -66.9(13) 2_765 .
O6 C15 K2 O7 -157.0(12) . .
O5 C15 K2 O7 -31.7(15) . .
C16 C15 K2 O7 62.2(13) . .
K1 C15 K2 O7 -98.6(5) 2_765 .
O6 C15 K2 O3 146.2(12) . 2_766
O5 C15 K2 O3 -88.5(14) . 2_766
C16 C15 K2 O3 5.4(12) . 2_766
K1 C15 K2 O3 -155.4(5) 2_765 2_766
O6 C15 K2 I10 90.8(14) . 1_665
O5 C15 K2 I10 -144.0(13) . 1_665
C16 C15 K2 I10 -50.1(18) . 1_665
K1 C15 K2 I10 149.1(7) 2_765 1_665
O6 C15 K2 I1 -79.8(12) . 2_765
O5 C15 K2 I1 45.5(14) . 2_765
C16 C15 K2 I1 139.4(12) . 2_765
K1 C15 K2 I1 -21.4(3) 2_765 2_765
O6 C15 K2 I5 58.0(11) . 1_565
O5 C15 K2 I5 -176.8(14) . 1_565
C16 C15 K2 I5 -82.9(12) . 1_565
K1 C15 K2 I5 116.3(4) 2_765 1_565
O6 C15 K2 K3 -161.0(13) . .
O5 C15 K2 K3 -35.8(13) . .
C16 C15 K2 K3 58.1(12) . .
K1 C15 K2 K3 -102.7(4) 2_765 .
O6 C15 K2 K1 -58.3(11) . 2_765
O5 C15 K2 K1 66.9(13) . 2_765
C16 C15 K2 K1 160.8(15) . 2_765
K2 O7 K3 O7 -113(100) . 2_765
K2 O7 K3 O5 -166.8(4) . 2_765
K2 O7 K3 O5 13.2(4) . .
K2 O7 K3 O4 105.1(5) . 1_554
K2 O7 K3 O4 -74.9(5) . 2_766
K2 O7 K3 O3 124.1(4) . 1_554
K2 O7 K3 O3 -55.9(4) . 2_766
K2 O7 K3 C14 -68.8(5) . 2_766
K2 O7 K3 C14 111.2(5) . 1_554
K2 O7 K3 K2 180.000(1) . 2_765
C15 O5 K3 O7 -142.6(15) . .
K2 O5 K3 O7 -13.8(5) . .
K1 O5 K3 O7 91.9(7) 2_765 .
C15 O5 K3 O7 37.4(15) . 2_765
K2 O5 K3 O7 166.2(5) . 2_765
K1 O5 K3 O7 -88.1(7) 2_765 2_765
C15 O5 K3 O5 -23(100) . 2_765
K2 O5 K3 O5 106(100) . 2_765
K1 O5 K3 O5 -149(100) 2_765 2_765
C15 O5 K3 O4 138.4(15) . 1_554
K2 O5 K3 O4 -92.7(4) . 1_554
K1 O5 K3 O4 12.9(7) 2_765 1_554
C15 O5 K3 O4 -41.6(15) . 2_766
K2 O5 K3 O4 87.3(4) . 2_766
K1 O5 K3 O4 -167.1(7) 2_765 2_766
C15 O5 K3 O3 98.0(15) . 1_554
K2 O5 K3 O3 -133.1(4) . 1_554
K1 O5 K3 O3 -27.5(7) 2_765 1_554
C15 O5 K3 O3 -82.0(15) . 2_766
K2 O5 K3 O3 46.9(4) . 2_766
K1 O5 K3 O3 152.5(7) 2_765 2_766
C15 O5 K3 C14 -63.0(15) . 2_766
K2 O5 K3 C14 65.8(5) . 2_766
K1 O5 K3 C14 171.5(7) 2_765 2_766
C15 O5 K3 C14 117.0(15) . 1_554
K2 O5 K3 C14 -114.2(5) . 1_554
K1 O5 K3 C14 -8.5(7) 2_765 1_554
C15 O5 K3 K2 -128.8(16) . .
K1 O5 K3 K2 105.7(7) 2_765 .
C15 O5 K3 K2 51.2(16) . 2_765
K2 O5 K3 K2 180.000(2) . 2_765
K1 O5 K3 K2 -74.3(7) 2_765 2_765
O5 K2 K3 O7 160.9(6) . .
O3 K2 K3 O7 -90.0(6) 2_766 .
C15 K2 K3 O7 174.8(6) . .
I10 K2 K3 O7 -28.8(5) 1_665 .
I1 K2 K3 O7 76.0(5) 2_765 .
I5 K2 K3 O7 -141.7(5) 1_565 .
K1 K2 K3 O7 130.5(5) 2_765 .
O5 K2 K3 O7 -19.1(6) . 2_765
O7 K2 K3 O7 180.0 . 2_765
O3 K2 K3 O7 90.0(6) 2_766 2_765
C15 K2 K3 O7 -5.2(6) . 2_765
I10 K2 K3 O7 151.2(5) 1_665 2_765
I1 K2 K3 O7 -104.0(5) 2_765 2_765
I5 K2 K3 O7 38.3(5) 1_565 2_765
K1 K2 K3 O7 -49.5(5) 2_765 2_765
O5 K2 K3 O5 180.0 . 2_765
O7 K2 K3 O5 19.1(6) . 2_765
O3 K2 K3 O5 -70.9(6) 2_766 2_765
C15 K2 K3 O5 -166.1(5) . 2_765
I10 K2 K3 O5 -9.7(5) 1_665 2_765
I1 K2 K3 O5 95.1(4) 2_765 2_765
I5 K2 K3 O5 -122.6(4) 1_565 2_765
K1 K2 K3 O5 149.6(4) 2_765 2_765
O7 K2 K3 O5 -160.9(6) . .
O3 K2 K3 O5 109.1(6) 2_766 .
C15 K2 K3 O5 13.9(5) . .
I10 K2 K3 O5 170.3(5) 1_665 .
I1 K2 K3 O5 -84.9(4) 2_765 .
I5 K2 K3 O5 57.4(4) 1_565 .
K1 K2 K3 O5 -30.4(4) 2_765 .
O5 K2 K3 O4 89.3(6) . 1_554
O7 K2 K3 O4 -71.6(6) . 1_554
O3 K2 K3 O4 -161.6(6) 2_766 1_554
C15 K2 K3 O4 103.2(5) . 1_554
I10 K2 K3 O4 -100.4(4) 1_665 1_554
I1 K2 K3 O4 4.4(4) 2_765 1_554
I5 K2 K3 O4 146.7(4) 1_565 1_554
K1 K2 K3 O4 58.9(4) 2_765 1_554
O5 K2 K3 O4 -90.7(6) . 2_766
O7 K2 K3 O4 108.4(6) . 2_766
O3 K2 K3 O4 18.4(6) 2_766 2_766
C15 K2 K3 O4 -76.8(5) . 2_766
I10 K2 K3 O4 79.6(4) 1_665 2_766
I1 K2 K3 O4 -175.6(4) 2_765 2_766
I5 K2 K3 O4 -33.3(4) 1_565 2_766
K1 K2 K3 O4 -121.1(4) 2_765 2_766
O5 K2 K3 O3 70.9(6) . 1_554
O7 K2 K3 O3 -90.0(6) . 1_554
O3 K2 K3 O3 180.0 2_766 1_554
C15 K2 K3 O3 84.8(5) . 1_554
I10 K2 K3 O3 -118.8(4) 1_665 1_554
I1 K2 K3 O3 -14.0(4) 2_765 1_554
I5 K2 K3 O3 128.3(4) 1_565 1_554
K1 K2 K3 O3 40.5(4) 2_765 1_554
O5 K2 K3 O3 -109.1(6) . 2_766
O7 K2 K3 O3 90.0(6) . 2_766
C15 K2 K3 O3 -95.2(5) . 2_766
I10 K2 K3 O3 61.2(4) 1_665 2_766
I1 K2 K3 O3 166.0(4) 2_765 2_766
I5 K2 K3 O3 -51.7(4) 1_565 2_766
K1 K2 K3 O3 -139.5(4) 2_765 2_766
O5 K2 K3 C14 -102.1(5) . 2_766
O7 K2 K3 C14 97.0(6) . 2_766
O3 K2 K3 C14 7.1(6) 2_766 2_766
C15 K2 K3 C14 -88.2(5) . 2_766
I10 K2 K3 C14 68.2(4) 1_665 2_766
I1 K2 K3 C14 173.1(4) 2_765 2_766
I5 K2 K3 C14 -44.6(4) 1_565 2_766
K1 K2 K3 C14 -132.4(4) 2_765 2_766
O5 K2 K3 C14 77.9(5) . 1_554
O7 K2 K3 C14 -83.0(6) . 1_554
O3 K2 K3 C14 -172.9(6) 2_766 1_554
C15 K2 K3 C14 91.8(5) . 1_554
I10 K2 K3 C14 -111.8(4) 1_665 1_554
I1 K2 K3 C14 -6.9(4) 2_765 1_554
I5 K2 K3 C14 135.4(4) 1_565 1_554
K1 K2 K3 C14 47.6(4) 2_765 1_554
O5 K2 K3 K2 -75(100) . 2_765
O7 K2 K3 K2 125(100) . 2_765
O3 K2 K3 K2 35(100) 2_766 2_765
C15 K2 K3 K2 -61(100) . 2_765
I10 K2 K3 K2 96(100) 1_665 2_765
I1 K2 K3 K2 -159(100) 2_765 2_765
I5 K2 K3 K2 -17(100) 1_565 2_765
K1 K2 K3 K2 -105(100) 2_765 2_765
