#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/61/4086122.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_4086122
loop_
_publ_author_name
'Aghazadeh Meshgi, Mohammad'
'Baumgartner, Judith'
'Marschner, Christoph'
_publ_section_title
;
 Oligosilanylsilatranes.
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3721
_journal_page_last               3731
_journal_paper_doi               10.1021/acs.organomet.5b00404
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C30 H53 K N O9 Si3'
_chemical_formula_weight         695.10
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.348(3)
_cell_angle_beta                 105.422(3)
_cell_angle_gamma                99.085(3)
_cell_formula_units_Z            2
_cell_length_a                   10.790(2)
_cell_length_b                   10.863(2)
_cell_length_c                   16.420(3)
_cell_measurement_reflns_used    9003
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.536
_cell_measurement_theta_min      4.980
_cell_volume                     1821.8(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_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  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14615
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.293
_exptl_absorpt_correction_T_max  0.9713
_exptl_absorpt_correction_T_min  0.9383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         7314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0439P)²+1.0346P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                6640
_reflns_number_total             7314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5b00404_si_002.cif
_cod_data_source_block           14_1133j
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4086115--4086125.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4086122
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
Si1 Si 0.64291(4) 0.65275(4) 0.25389(3) 0.01679(10) Uani 1 1 d .
Si3 Si 0.86396(4) 0.67961(4) 0.26629(3) 0.01628(10) Uani 1 1 d .
Si4 Si 0.66494(4) 0.68565(4) 0.39974(3) 0.01894(11) Uani 1 1 d .
K1 K 0.67265(3) 0.33143(3) 0.22436(2) 0.01971(9) Uani 1 1 d .
N1 N 1.15474(14) 0.67100(13) 0.27970(9) 0.0212(3) Uani 1 1 d .
O1 O 0.71543(12) 0.18284(12) 0.36569(7) 0.0256(3) Uani 1 1 d .
O2 O 0.90454(12) 0.21950(11) 0.27712(7) 0.0229(3) Uani 1 1 d .
O3 O 0.79995(11) 0.24711(11) 0.10491(7) 0.0205(2) Uani 1 1 d .
O4 O 0.56990(11) 0.34249(11) 0.04539(7) 0.0226(3) Uani 1 1 d .
O5 O 0.38889(11) 0.31067(11) 0.14367(8) 0.0232(3) Uani 1 1 d .
O6 O 0.48081(12) 0.27497(12) 0.31701(8) 0.0259(3) Uani 1 1 d .
O7 O 0.90224(11) 0.54064(10) 0.29106(7) 0.0190(2) Uani 1 1 d .
O8 O 0.90085(11) 0.70729(11) 0.17561(7) 0.0202(2) Uani 1 1 d .
O9 O 0.96378(11) 0.78971(11) 0.33941(7) 0.0202(2) Uani 1 1 d .
C1 C 0.64044(18) 0.20116(18) 0.42315(11) 0.0263(4) Uani 1 1 d .
H1A H 0.6685 0.2872 0.4527 0.032 Uiso 1 1 calc R
H1B H 0.6537 0.1411 0.4664 0.032 Uiso 1 1 calc R
C2 C 0.49949(18) 0.18143(18) 0.37414(11) 0.0275(4) Uani 1 1 d .
H2A H 0.4729 0.0971 0.3420 0.033 Uiso 1 1 calc R
H2B H 0.4449 0.1869 0.4136 0.033 Uiso 1 1 calc R
C3 C 0.34660(17) 0.26880(18) 0.27454(12) 0.0277(4) Uani 1 1 d .
H3A H 0.2998 0.2927 0.3156 0.033 Uiso 1 1 calc R
H3B H 0.3069 0.1821 0.2488 0.033 Uiso 1 1 calc R
C4 C 0.33437(17) 0.35640(17) 0.20665(12) 0.0263(4) Uani 1 1 d .
H4A H 0.2412 0.3605 0.1811 0.032 Uiso 1 1 calc R
H4B H 0.3815 0.4417 0.2313 0.032 Uiso 1 1 calc R
C5 C 0.37538(17) 0.38576(17) 0.07443(11) 0.0256(4) Uani 1 1 d .
H5A H 0.4222 0.4726 0.0949 0.031 Uiso 1 1 calc R
H5B H 0.2819 0.3882 0.0486 0.031 Uiso 1 1 calc R
C6 C 0.43150(17) 0.32977(17) 0.01006(11) 0.0254(4) Uani 1 1 d .
H6A H 0.3916 0.2400 -0.0054 0.031 Uiso 1 1 calc R
H6B H 0.4124 0.3733 -0.0420 0.031 Uiso 1 1 calc R
C7 C 0.62591(17) 0.27943(17) -0.01052(11) 0.0231(4) Uani 1 1 d .
H7A H 0.6040 0.3117 -0.0668 0.028 Uiso 1 1 calc R
H7B H 0.5901 0.1885 -0.0182 0.028 Uiso 1 1 calc R
C8 C 0.77146(17) 0.30105(16) 0.02657(11) 0.0225(4) Uani 1 1 d .
H8A H 0.8122 0.2619 -0.0132 0.027 Uiso 1 1 calc R
H8B H 0.8071 0.3921 0.0363 0.027 Uiso 1 1 calc R
C9 C 0.93557(16) 0.24915(17) 0.14037(11) 0.0230(4) Uani 1 1 d .
H9A H 0.9812 0.3363 0.1611 0.028 Uiso 1 1 calc R
H9B H 0.9733 0.2166 0.0965 0.028 Uiso 1 1 calc R
C10 C 0.95355(16) 0.16920(16) 0.21274(11) 0.0231(4) Uani 1 1 d .
H10A H 0.9064 0.0825 0.1921 0.028 Uiso 1 1 calc R
H10B H 1.0475 0.1665 0.2363 0.028 Uiso 1 1 calc R
C11 C 0.91532(18) 0.14302(18) 0.34563(11) 0.0270(4) Uani 1 1 d .
H11A H 1.0086 0.1437 0.3743 0.032 Uiso 1 1 calc R
H11B H 0.8728 0.0555 0.3236 0.032 Uiso 1 1 calc R
C12 C 0.85070(18) 0.19278(18) 0.40763(11) 0.0265(4) Uani 1 1 d .
H12A H 0.8622 0.1438 0.4572 0.032 Uiso 1 1 calc R
H12B H 0.8905 0.2815 0.4280 0.032 Uiso 1 1 calc R
C13 C 1.13706(16) 0.55035(16) 0.31178(11) 0.0210(3) Uani 1 1 d .
H13A H 1.2179 0.5438 0.3559 0.025 Uiso 1 1 calc R
H13B H 1.1242 0.4840 0.2648 0.025 Uiso 1 1 calc R
C14 C 1.02212(16) 0.52633(16) 0.34965(11) 0.0211(3) Uani 1 1 d .
H14A H 1.0134 0.4402 0.3668 0.025 Uiso 1 1 calc R
H14B H 1.0397 0.5855 0.4013 0.025 Uiso 1 1 calc R
C15 C 0.98132(17) 0.63923(16) 0.14187(11) 0.0222(4) Uani 1 1 d .
H15A H 0.9687 0.6527 0.0813 0.027 Uiso 1 1 calc R
H15B H 0.9539 0.5486 0.1448 0.027 Uiso 1 1 calc R
C16 C 1.12608(16) 0.67829(17) 0.18946(11) 0.0225(4) Uani 1 1 d .
H16A H 1.1763 0.6239 0.1658 0.027 Uiso 1 1 calc R
H16B H 1.1562 0.7655 0.1794 0.027 Uiso 1 1 calc R
C17 C 1.08113(16) 0.86072(16) 0.33032(11) 0.0223(4) Uani 1 1 d .
H17A H 1.1117 0.9332 0.3746 0.027 Uiso 1 1 calc R
H17B H 1.0626 0.8937 0.2742 0.027 Uiso 1 1 calc R
C18 C 1.18913(16) 0.78372(16) 0.33777(11) 0.0219(3) Uani 1 1 d .
H18A H 1.2662 0.8369 0.3281 0.026 Uiso 1 1 calc R
H18B H 1.2151 0.7605 0.3965 0.026 Uiso 1 1 calc R
C19 C 0.78134(19) 0.5927(2) 0.46472(12) 0.0348(5) Uani 1 1 d .
H19A H 0.7716 0.5938 0.5224 0.052 Uiso 1 1 calc R
H19B H 0.8713 0.6299 0.4671 0.052 Uiso 1 1 calc R
H19C H 0.7617 0.5059 0.4384 0.052 Uiso 1 1 calc R
C20 C 0.7236(2) 0.85390(18) 0.44754(13) 0.0347(5) Uani 1 1 d .
H20A H 0.7276 0.8596 0.5080 0.052 Uiso 1 1 calc R
H20B H 0.6629 0.9059 0.4182 0.052 Uiso 1 1 calc R
H20C H 0.8108 0.8835 0.4412 0.052 Uiso 1 1 calc R
C21 C 0.50295(17) 0.63022(18) 0.42133(12) 0.0274(4) Uani 1 1 d .
H21A H 0.4697 0.5428 0.3972 0.041 Uiso 1 1 calc R
H21B H 0.4403 0.6826 0.3952 0.041 Uiso 1 1 calc R
H21C H 0.5147 0.6365 0.4828 0.041 Uiso 1 1 calc R
C22 C 0.59252(15) 0.80667(15) 0.21839(10) 0.0168(3) Uani 1 1 d .
C23 C 0.47314(16) 0.83503(16) 0.22610(10) 0.0202(3) Uani 1 1 d .
H23 H 0.4233 0.7808 0.2537 0.024 Uiso 1 1 calc R
C24 C 0.66035(16) 0.89083(15) 0.17660(10) 0.0198(3) Uani 1 1 d .
H24 H 0.7419 0.8762 0.1701 0.024 Uiso 1 1 calc R
C25 C 0.49465(17) 1.01993(16) 0.15338(12) 0.0255(4) Uani 1 1 d .
H25 H 0.4619 1.0911 0.1316 0.031 Uiso 1 1 calc R
C26 C 0.61239(17) 0.99490(16) 0.14432(11) 0.0245(4) Uani 1 1 d .
H26 H 0.6608 1.0491 0.1159 0.029 Uiso 1 1 calc R
C27 C 0.42548(17) 0.93948(16) 0.19474(11) 0.0234(4) Uani 1 1 d .
H27 H 0.3448 0.9558 0.2017 0.028 Uiso 1 1 calc R
C28 C 0.86928(19) 0.94984(18) -0.03725(13) 0.0303(4) Uani 1 1 d .
H28 H 0.7796 0.9160 -0.0630 0.036 Uiso 1 1 calc R
C29 C 1.06150(19) 0.97134(18) 0.07930(12) 0.0301(4) Uani 1 1 d .
H29 H 1.1039 0.9518 0.1343 0.036 Uiso 1 1 calc R
C30 C 0.93111(19) 0.92051(17) 0.04225(12) 0.0286(4) Uani 1 1 d .
H30 H 0.8845 0.8658 0.0714 0.034 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
C22 Si1 Si3 104.99(5) . .
C22 Si1 Si4 100.25(5) . .
Si3 Si1 Si4 95.98(2) . .
C22 Si1 K1 155.15(5) . .
Si3 Si1 K1 81.018(18) . .
Si4 Si1 K1 103.086(19) . .
O9 Si3 O7 108.11(6) . .
O9 Si3 O8 105.49(6) . .
O7 Si3 O8 107.44(6) . .
O9 Si3 Si1 118.06(5) . .
O7 Si3 Si1 103.60(4) . .
O8 Si3 Si1 113.62(5) . .
O9 Si3 K1 145.02(5) . .
O7 Si3 K1 44.95(4) . .
O8 Si3 K1 104.59(4) . .
Si1 Si3 K1 63.607(17) . .
C19 Si4 C20 106.08(10) . .
C19 Si4 C21 105.19(9) . .
C20 Si4 C21 107.47(9) . .
C19 Si4 Si1 112.81(7) . .
C20 Si4 Si1 114.80(7) . .
C21 Si4 Si1 109.91(6) . .
O3 K1 O4 58.45(3) . .
O3 K1 O1 109.03(4) . .
O4 K1 O1 148.70(4) . .
O3 K1 O6 148.50(4) . .
O4 K1 O6 115.74(4) . .
O1 K1 O6 58.13(4) . .
O3 K1 O2 58.24(3) . .
O4 K1 O2 116.62(3) . .
O1 K1 O2 57.85(3) . .
O6 K1 O2 115.92(4) . .
O3 K1 O5 110.75(4) . .
O4 K1 O5 58.28(3) . .
O1 K1 O5 110.08(4) . .
O6 K1 O5 57.72(4) . .
O2 K1 O5 151.18(4) . .
O3 K1 O7 88.34(4) . .
O4 K1 O7 108.29(3) . .
O1 K1 O7 99.23(4) . .
O6 K1 O7 120.77(4) . .
O2 K1 O7 72.44(4) . .
O5 K1 O7 136.18(3) . .
O3 K1 Si1 121.29(3) . .
O4 K1 Si1 87.45(3) . .
O1 K1 Si1 120.87(3) . .
O6 K1 Si1 87.37(3) . .
O2 K1 Si1 128.54(3) . .
O5 K1 Si1 80.27(3) . .
O7 K1 Si1 56.54(2) . .
O3 K1 Si3 96.14(3) . .
O4 K1 Si3 93.93(3) . .
O1 K1 Si3 116.75(3) . .
O6 K1 Si3 115.36(3) . .
O2 K1 Si3 95.08(3) . .
O5 K1 Si3 113.19(3) . .
O7 K1 Si3 23.20(2) . .
Si1 K1 Si3 35.375(13) . .
C16 N1 C18 120.35(14) . .
C16 N1 C13 119.81(14) . .
C18 N1 C13 119.59(14) . .
C1 O1 C12 112.51(13) . .
C1 O1 K1 114.82(10) . .
C12 O1 K1 111.86(10) . .
C10 O2 C11 111.26(13) . .
C10 O2 K1 117.82(9) . .
C11 O2 K1 118.43(10) . .
C9 O3 C8 113.02(12) . .
C9 O3 K1 113.78(9) . .
C8 O3 K1 114.66(9) . .
C7 O4 C6 110.83(13) . .
C7 O4 K1 117.78(9) . .
C6 O4 K1 118.99(10) . .
C4 O5 C5 111.76(13) . .
C4 O5 K1 106.93(10) . .
C5 O5 K1 106.91(9) . .
C3 O6 C2 111.70(13) . .
C3 O6 K1 119.14(10) . .
C2 O6 K1 117.15(10) . .
C14 O7 Si3 123.59(10) . .
C14 O7 K1 123.63(9) . .
Si3 O7 K1 111.86(5) . .
C15 O8 Si3 123.21(10) . .
C17 O9 Si3 124.20(10) . .
O1 C1 C2 108.63(14) . .
O6 C2 C1 109.04(14) . .
O6 C3 C4 109.24(14) . .
O5 C4 C3 108.24(14) . .
O5 C5 C6 108.51(14) . .
O4 C6 C5 108.87(14) . .
O4 C7 C8 109.09(13) . .
O3 C8 C7 108.53(13) . .
O3 C9 C10 108.94(13) . .
O2 C10 C9 109.67(14) . .
O2 C11 C12 109.21(14) . .
O1 C12 C11 108.22(14) . .
N1 C13 C14 114.22(14) . .
O7 C14 C13 112.10(13) . .
O8 C15 C16 112.51(14) . .
N1 C16 C15 113.95(14) . .
O9 C17 C18 112.52(14) . .
N1 C18 C17 114.83(14) . .
C24 C22 C23 115.55(15) . .
C24 C22 Si1 124.67(12) . .
C23 C22 Si1 119.49(12) . .
C27 C23 C22 122.33(16) . .
C26 C24 C22 122.34(16) . .
C26 C25 C27 118.85(16) . .
C25 C26 C24 120.43(16) . .
C25 C27 C23 120.50(16) . .
C30 C28 C29 119.67(18) . 2_775
C28 C29 C30 120.75(17) 2_775 .
C28 C30 C29 119.58(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C22 1.9141(17) .
Si1 Si3 2.3087(7) .
Si1 Si4 2.3431(8) .
Si1 K1 3.5722(9) .
Si3 O9 1.6642(12) .
Si3 O7 1.6716(12) .
Si3 O8 1.6721(12) .
Si3 K1 3.9390(9) .
Si4 C19 1.8841(19) .
Si4 C20 1.887(2) .
Si4 C21 1.8882(18) .
K1 O3 2.8623(12) .
K1 O4 2.8687(13) .
K1 O1 2.8821(13) .
K1 O6 2.8910(13) .
K1 O2 2.9018(13) .
K1 O5 2.9614(13) .
K1 O7 2.9983(12) .
N1 C16 1.441(2) .
N1 C18 1.442(2) .
N1 C13 1.445(2) .
O1 C1 1.421(2) .
O1 C12 1.422(2) .
O2 C10 1.420(2) .
O2 C11 1.428(2) .
O3 C9 1.420(2) .
O3 C8 1.424(2) .
O4 C7 1.425(2) .
O4 C6 1.432(2) .
O5 C4 1.421(2) .
O5 C5 1.427(2) .
O6 C3 1.419(2) .
O6 C2 1.424(2) .
O7 C14 1.4289(19) .
O8 C15 1.421(2) .
O9 C17 1.423(2) .
C1 C2 1.494(3) .
C3 C4 1.500(3) .
C5 C6 1.495(3) .
C7 C8 1.500(2) .
C9 C10 1.502(2) .
C11 C12 1.499(3) .
C13 C14 1.523(2) .
C15 C16 1.527(2) .
C17 C18 1.522(2) .
C22 C24 1.404(2) .
C22 C23 1.406(2) .
C23 C27 1.389(2) .
C24 C26 1.391(2) .
C25 C26 1.384(3) .
C25 C27 1.384(3) .
C28 C30 1.379(3) .
C28 C29 1.382(3) 2_775
C29 C28 1.382(3) 2_775
C29 C30 1.384(3) .
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
C22 Si1 Si3 O9 64.13(7) .
Si4 Si1 Si3 O9 -38.18(6) .
K1 Si1 Si3 O9 -140.53(5) .
C22 Si1 Si3 O7 -176.43(6) .
Si4 Si1 Si3 O7 81.26(5) .
K1 Si1 Si3 O7 -21.10(4) .
C22 Si1 Si3 O8 -60.17(7) .
Si4 Si1 Si3 O8 -162.48(5) .
K1 Si1 Si3 O8 95.16(5) .
C22 Si1 Si3 K1 -155.33(5) .
Si4 Si1 Si3 K1 102.353(19) .
C22 Si1 Si4 C19 -154.52(9) .
Si3 Si1 Si4 C19 -48.07(8) .
K1 Si1 Si4 C19 34.07(8) .
C22 Si1 Si4 C20 -32.83(9) .
Si3 Si1 Si4 C20 73.63(8) .
K1 Si1 Si4 C20 155.76(8) .
C22 Si1 Si4 C21 88.44(8) .
Si3 Si1 Si4 C21 -165.11(7) .
K1 Si1 Si4 C21 -82.97(7) .
C22 Si1 K1 O3 56.15(13) .
Si3 Si1 K1 O3 -50.22(3) .
Si4 Si1 K1 O3 -144.32(3) .
C22 Si1 K1 O4 5.93(12) .
Si3 Si1 K1 O4 -100.43(3) .
Si4 Si1 K1 O4 165.47(3) .
C22 Si1 K1 O1 -159.96(12) .
Si3 Si1 K1 O1 93.67(3) .
Si4 Si1 K1 O1 -0.43(4) .
C22 Si1 K1 O6 -110.00(12) .
Si3 Si1 K1 O6 143.64(3) .
Si4 Si1 K1 O6 49.53(3) .
C22 Si1 K1 O2 128.48(12) .
Si3 Si1 K1 O2 22.12(4) .
Si4 Si1 K1 O2 -71.99(4) .
C22 Si1 K1 O5 -52.30(12) .
Si3 Si1 K1 O5 -158.67(3) .
Si4 Si1 K1 O5 107.23(3) .
C22 Si1 K1 O7 119.89(12) .
Si3 Si1 K1 O7 13.52(3) .
Si4 Si1 K1 O7 -80.58(3) .
C22 Si1 K1 Si3 106.37(12) .
Si4 Si1 K1 Si3 -94.10(2) .
O9 Si3 K1 O3 -119.40(8) .
O7 Si3 K1 O3 -71.02(6) .
O8 Si3 K1 O3 29.21(5) .
Si1 Si3 K1 O3 138.66(3) .
O9 Si3 K1 O4 -178.06(8) .
O7 Si3 K1 O4 -129.68(6) .
O8 Si3 K1 O4 -29.45(5) .
Si1 Si3 K1 O4 80.00(3) .
O9 Si3 K1 O1 -4.47(8) .
O7 Si3 K1 O1 43.91(6) .
O8 Si3 K1 O1 144.14(5) .
Si1 Si3 K1 O1 -106.41(3) .
O9 Si3 K1 O6 60.99(8) .
O7 Si3 K1 O6 109.36(7) .
O8 Si3 K1 O6 -150.41(5) .
Si1 Si3 K1 O6 -40.95(3) .
O9 Si3 K1 O2 -60.87(8) .
O7 Si3 K1 O2 -12.49(6) .
O8 Si3 K1 O2 87.74(5) .
Si1 Si3 K1 O2 -162.80(3) .
O9 Si3 K1 O5 124.89(8) .
O7 Si3 K1 O5 173.27(6) .
O8 Si3 K1 O5 -86.50(5) .
Si1 Si3 K1 O5 22.95(3) .
O9 Si3 K1 O7 -48.38(9) .
O8 Si3 K1 O7 100.23(7) .
Si1 Si3 K1 O7 -150.32(6) .
O9 Si3 K1 Si1 101.94(8) .
O7 Si3 K1 Si1 150.32(6) .
O8 Si3 K1 Si1 -109.45(5) .
O3 K1 O1 C1 -170.39(10) .
O4 K1 O1 C1 -110.26(12) .
O6 K1 O1 C1 -22.44(10) .
O2 K1 O1 C1 160.59(12) .
O5 K1 O1 C1 -48.71(11) .
O7 K1 O1 C1 98.18(11) .
Si1 K1 O1 C1 41.80(11) .
Si3 K1 O1 C1 82.11(11) .
O3 K1 O1 C12 59.81(11) .
O4 K1 O1 C12 119.94(11) .
O6 K1 O1 C12 -152.23(12) .
O2 K1 O1 C12 30.80(10) .
O5 K1 O1 C12 -178.51(10) .
O7 K1 O1 C12 -31.62(11) .
Si1 K1 O1 C12 -88.00(10) .
Si3 K1 O1 C12 -47.68(11) .
O3 K1 O2 C10 -6.09(10) .
O4 K1 O2 C10 -3.20(12) .
O1 K1 O2 C10 141.27(12) .
O6 K1 O2 C10 138.41(11) .
O5 K1 O2 C10 68.79(14) .
O7 K1 O2 C10 -105.30(11) .
Si1 K1 O2 C10 -112.82(10) .
Si3 K1 O2 C10 -100.18(11) .
O3 K1 O2 C11 -144.84(12) .
O4 K1 O2 C11 -141.95(11) .
O1 K1 O2 C11 2.53(11) .
O6 K1 O2 C11 -0.34(12) .
O5 K1 O2 C11 -69.95(14) .
O7 K1 O2 C11 115.95(11) .
Si1 K1 O2 C11 108.44(11) .
Si3 K1 O2 C11 121.08(11) .
O4 K1 O3 C9 155.88(11) .
O1 K1 O3 C9 -56.04(11) .
O6 K1 O3 C9 -115.64(11) .
O2 K1 O3 C9 -27.16(10) .
O5 K1 O3 C9 -177.31(10) .
O7 K1 O3 C9 43.15(10) .
Si1 K1 O3 C9 91.61(10) .
Si3 K1 O3 C9 65.03(10) .
O4 K1 O3 C8 23.63(10) .
O1 K1 O3 C8 171.71(10) .
O6 K1 O3 C8 112.11(11) .
O2 K1 O3 C8 -159.41(11) .
O5 K1 O3 C8 50.44(11) .
O7 K1 O3 C8 -89.10(10) .
Si1 K1 O3 C8 -40.64(11) .
Si3 K1 O3 C8 -67.22(10) .
O3 K1 O4 C7 10.54(10) .
O1 K1 O4 C7 -63.60(13) .
O6 K1 O4 C7 -134.02(11) .
O2 K1 O4 C7 7.66(12) .
O5 K1 O4 C7 -139.73(12) .
O7 K1 O4 C7 86.72(11) .
Si1 K1 O4 C7 140.14(11) .
Si3 K1 O4 C7 105.34(11) .
O3 K1 O4 C6 149.24(12) .
O1 K1 O4 C6 75.10(13) .
O6 K1 O4 C6 4.68(12) .
O2 K1 O4 C6 146.35(11) .
O5 K1 O4 C6 -1.03(10) .
O7 K1 O4 C6 -134.58(11) .
Si1 K1 O4 C6 -81.16(11) .
Si3 K1 O4 C6 -115.96(11) .
O3 K1 O5 C4 -178.93(10) .
O4 K1 O5 C4 -152.06(11) .
O1 K1 O5 C4 60.42(11) .
O6 K1 O5 C4 34.02(10) .
O2 K1 O5 C4 119.70(11) .
O7 K1 O5 C4 -68.44(11) .
Si1 K1 O5 C4 -59.02(10) .
Si3 K1 O5 C4 -72.26(10) .
O3 K1 O5 C5 -59.09(10) .
O4 K1 O5 C5 -32.22(9) .
O1 K1 O5 C5 -179.74(9) .
O6 K1 O5 C5 153.86(11) .
O2 K1 O5 C5 -120.46(11) .
O7 K1 O5 C5 51.39(11) .
Si1 K1 O5 C5 60.81(10) .
Si3 K1 O5 C5 47.57(10) .
O3 K1 O6 C3 -77.96(13) .
O4 K1 O6 C3 -6.91(13) .
O1 K1 O6 C3 -151.71(13) .
O2 K1 O6 C3 -148.86(11) .
O5 K1 O6 C3 -1.17(11) .
O7 K1 O6 C3 126.93(11) .
Si1 K1 O6 C3 78.99(11) .
Si3 K1 O6 C3 101.31(11) .
O3 K1 O6 C2 61.65(13) .
O4 K1 O6 C2 132.70(11) .
O1 K1 O6 C2 -12.11(10) .
O2 K1 O6 C2 -9.25(12) .
O5 K1 O6 C2 138.44(12) .
O7 K1 O6 C2 -93.46(11) .
Si1 K1 O6 C2 -141.41(11) .
Si3 K1 O6 C2 -119.08(11) .
O9 Si3 O7 C14 -16.15(13) .
O8 Si3 O7 C14 97.26(12) .
Si1 Si3 O7 C14 -142.20(11) .
K1 Si3 O7 C14 -169.35(15) .
O9 Si3 O7 K1 153.20(5) .
O8 Si3 O7 K1 -93.39(6) .
Si1 Si3 O7 K1 27.15(5) .
O3 K1 O7 C14 -80.81(11) .
O4 K1 O7 C14 -136.69(11) .
O1 K1 O7 C14 28.21(11) .
O6 K1 O7 C14 86.49(11) .
O2 K1 O7 C14 -23.71(11) .
O5 K1 O7 C14 160.40(10) .
Si1 K1 O7 C14 149.25(12) .
Si3 K1 O7 C14 169.35(15) .
O3 K1 O7 Si3 109.85(6) .
O4 K1 O7 Si3 53.96(6) .
O1 K1 O7 Si3 -141.14(6) .
O6 K1 O7 Si3 -82.86(6) .
O2 K1 O7 Si3 166.94(6) .
O5 K1 O7 Si3 -8.95(8) .
Si1 K1 O7 Si3 -20.10(4) .
O9 Si3 O8 C15 100.12(13) .
O7 Si3 O8 C15 -15.05(14) .
Si1 Si3 O8 C15 -129.03(11) .
K1 Si3 O8 C15 -61.83(12) .
O7 Si3 O9 C17 95.73(13) .
O8 Si3 O9 C17 -18.97(14) .
Si1 Si3 O9 C17 -147.22(11) .
K1 Si3 O9 C17 129.49(11) .
C12 O1 C1 C2 -176.63(14) .
K1 O1 C1 C2 53.89(16) .
C3 O6 C2 C1 -174.21(14) .
K1 O6 C2 C1 43.32(16) .
O1 C1 C2 O6 -64.14(18) .
C2 O6 C3 C4 -171.93(14) .
K1 O6 C3 C4 -30.28(17) .
C5 O5 C4 C3 177.17(14) .
K1 O5 C4 C3 -66.16(14) .
O6 C3 C4 O5 66.33(18) .
C4 O5 C5 C6 -178.44(14) .
K1 O5 C5 C6 64.88(14) .
C7 O4 C6 C5 174.24(14) .
K1 O4 C6 C5 32.91(17) .
O5 C5 C6 O4 -67.29(18) .
C6 O4 C7 C8 176.88(14) .
K1 O4 C7 C8 -41.27(16) .
C9 O3 C8 C7 172.90(14) .
K1 O3 C8 C7 -54.50(15) .
O4 C7 C8 O3 62.94(17) .
C8 O3 C9 C10 -169.18(14) .
K1 O3 C9 C10 57.78(15) .
C11 O2 C10 C9 177.71(14) .
K1 O2 C10 C9 36.19(16) .
O3 C9 C10 O2 -62.10(17) .
C10 O2 C11 C12 -174.51(14) .
K1 O2 C11 C12 -33.25(17) .
C1 O1 C12 C11 166.90(14) .
K1 O1 C12 C11 -62.11(15) .
O2 C11 C12 O1 63.20(18) .
C16 N1 C13 C14 -109.21(17) .
C18 N1 C13 C14 65.00(19) .
Si3 O7 C14 C13 -74.87(16) .
K1 O7 C14 C13 117.01(12) .
N1 C13 C14 O7 55.37(19) .
Si3 O8 C15 C16 -75.57(17) .
C18 N1 C16 C15 -107.19(17) .
C13 N1 C16 C15 66.98(19) .
O8 C15 C16 N1 54.63(19) .
Si3 O9 C17 C18 -72.59(17) .
C16 N1 C18 C17 64.8(2) .
C13 N1 C18 C17 -109.41(17) .
O9 C17 C18 N1 55.5(2) .
Si3 Si1 C22 C24 23.17(14) .
Si4 Si1 C22 C24 122.26(13) .
K1 Si1 C22 C24 -77.99(19) .
Si3 Si1 C22 C23 -163.40(11) .
Si4 Si1 C22 C23 -64.31(13) .
K1 Si1 C22 C23 95.44(16) .
C24 C22 C23 C27 -0.2(2) .
Si1 C22 C23 C27 -174.20(13) .
C23 C22 C24 C26 -0.5(2) .
Si1 C22 C24 C26 173.18(13) .
C27 C25 C26 C24 -0.2(3) .
C22 C24 C26 C25 0.7(3) .
C26 C25 C27 C23 -0.4(3) .
C22 C23 C27 C25 0.6(3) .
C29 C28 C30 C29 0.6(3) 2_775
C28 C29 C30 C28 -0.6(3) 2_775
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.083 0.450 0.059 7 0 ' '
2 0.917 0.550 0.940 7 0 ' '
