#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:16:32 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179529 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/26/4342671.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_4342671
loop_
_publ_author_name
'Zitz, Rainer'
'Arp, Henning'
'Hlina, Johann'
'Walewska, Małgorzata'
'Marschner, Christoph'
'Szilvási, Tibor'
'Blom, Burgert'
'Baumgartner, Judith'
_publ_section_title
;
 Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and
 Silylene Ligands: Synthesis, Structure, and Bonding Analysis.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3306
_journal_page_last               3315
_journal_paper_doi               10.1021/ic502991p
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C90 H154 Ce2 K2 O14 Si8'
_chemical_formula_weight         2043.29
_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                95.37(3)
_cell_angle_beta                 113.07(3)
_cell_angle_gamma                108.67(3)
_cell_formula_units_Z            1
_cell_length_a                   13.057(3)
_cell_length_b                   14.966(3)
_cell_length_c                   15.668(3)
_cell_measurement_reflns_used    7327
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      52.500
_cell_measurement_theta_min      4.648
_cell_volume                     2583.0(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20738
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.098
_exptl_absorpt_correction_T_max  0.7942
_exptl_absorpt_correction_T_min  0.6867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_platon_squeeze_details
;
;
_refine_diff_density_max         1.173
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     531
_refine_ls_number_reflns         10389
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0394
_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)+(0.0415P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                8841
_reflns_number_total             10389
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502991p_si_001.cif
_cod_data_source_block           3_860j
_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 3105 2015-03-04 15:46:00Z robertas 

 Adding full bibliography for 4342667--4342674.cif.
;
_cod_original_cell_volume        2583.0(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4342671
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
Ce1 Ce 0.272690(15) 0.375129(13) 0.620486(13) 0.01745(6) Uani 1 1 d .
K1 K 0.66517(6) 0.27074(5) 0.79903(5) 0.02221(15) Uani 1 1 d .
O1 O 0.7330(2) 0.24523(16) 0.65443(16) 0.0260(5) Uani 1 1 d .
O2 O 0.81712(19) 0.43331(16) 0.77092(16) 0.0257(5) Uani 1 1 d .
O3 O 0.8139(2) 0.44159(17) 0.95094(17) 0.0308(6) Uani 1 1 d .
O4 O 0.6426(2) 0.28578(18) 0.97143(16) 0.0328(6) Uani 1 1 d .
O5 O 0.5661(2) 0.09810(18) 0.85519(19) 0.0357(6) Uani 1 1 d .
O6 O 0.5651(2) 0.08125(17) 0.67153(18) 0.0336(6) Uani 1 1 d .
O7 O 0.8721(3) 0.2332(4) 0.8887(3) 0.0962(15) Uani 1 1 d .
Si1 Si 0.09281(8) 0.19241(6) 0.43629(6) 0.01835(18) Uani 1 1 d .
Si2 Si 0.02965(8) 0.02437(6) 0.44031(7) 0.02093(19) Uani 1 1 d .
Si3 Si 0.17412(8) 0.18486(7) 0.32522(7) 0.0234(2) Uani 1 1 d .
Si4 Si -0.09074(8) 0.20265(6) 0.33575(7) 0.0224(2) Uani 1 1 d .
C1 C 0.2296(3) 0.4193(2) 0.7788(2) 0.0283(8) Uani 1 1 d .
H1 H 0.3011 0.4540 0.8367 0.034 Uiso 1 1 calc R
C2 C 0.1693(3) 0.3180(2) 0.7466(2) 0.0281(8) Uani 1 1 d .
H2 H 0.1920 0.2720 0.7794 0.034 Uiso 1 1 calc R
C3 C 0.0696(3) 0.2960(3) 0.6575(3) 0.0285(8) Uani 1 1 d .
H3 H 0.0131 0.2327 0.6190 0.034 Uiso 1 1 calc R
C4 C 0.0684(3) 0.3848(3) 0.6356(3) 0.0281(8) Uani 1 1 d .
H4 H 0.0109 0.3919 0.5793 0.034 Uiso 1 1 calc R
C5 C 0.1663(3) 0.4611(2) 0.7109(3) 0.0297(8) Uani 1 1 d .
H5 H 0.1863 0.5287 0.7153 0.036 Uiso 1 1 calc R
C6 C 0.4887(3) 0.3494(3) 0.6468(3) 0.0308(8) Uani 1 1 d .
H6 H 0.5178 0.3685 0.6017 0.037 Uiso 1 1 calc R
C7 C 0.4100(3) 0.2571(3) 0.6379(3) 0.0313(8) Uani 1 1 d .
H7 H 0.3755 0.2020 0.5855 0.038 Uiso 1 1 calc R
C8 C 0.3903(3) 0.2594(3) 0.7202(3) 0.0309(8) Uani 1 1 d .
H8 H 0.3403 0.2063 0.7333 0.037 Uiso 1 1 calc R
C9 C 0.4575(3) 0.3537(3) 0.7787(3) 0.0326(8) Uani 1 1 d .
H9 H 0.4616 0.3762 0.8391 0.039 Uiso 1 1 calc R
C10 C 0.5177(3) 0.4094(3) 0.7338(3) 0.0330(8) Uani 1 1 d .
H10 H 0.5695 0.4765 0.7579 0.040 Uiso 1 1 calc R
C11 C 0.2311(3) 0.4576(2) 0.4626(2) 0.0264(7) Uani 1 1 d .
H11 H 0.1695 0.4135 0.4035 0.032 Uiso 1 1 calc R
C12 C 0.3548(3) 0.4751(2) 0.5017(2) 0.0270(8) Uani 1 1 d .
H12 H 0.3914 0.4443 0.4735 0.032 Uiso 1 1 calc R
C13 C 0.4147(3) 0.5450(2) 0.5887(3) 0.0302(8) Uani 1 1 d .
H13 H 0.4991 0.5708 0.6298 0.036 Uiso 1 1 calc R
C14 C 0.3280(3) 0.5706(2) 0.6050(3) 0.0331(8) Uani 1 1 d .
H14 H 0.3432 0.6161 0.6595 0.040 Uiso 1 1 calc R
C15 C 0.2156(3) 0.5173(2) 0.5269(3) 0.0278(8) Uani 1 1 d .
H15 H 0.1411 0.5209 0.5188 0.033 Uiso 1 1 calc R
C16 C 0.1620(3) -0.0106(2) 0.4564(3) 0.0304(8) Uani 1 1 d .
H16A H 0.1382 -0.0805 0.4523 0.046 Uiso 1 1 calc R
H16B H 0.2299 0.0261 0.5193 0.046 Uiso 1 1 calc R
H16C H 0.1864 0.0046 0.4060 0.046 Uiso 1 1 calc R
C17 C -0.1026(3) -0.0593(2) 0.3249(2) 0.0305(8) Uani 1 1 d .
H17A H -0.0823 -0.0505 0.2714 0.046 Uiso 1 1 calc R
H17B H -0.1733 -0.0436 0.3141 0.046 Uiso 1 1 calc R
H17C H -0.1208 -0.1270 0.3291 0.046 Uiso 1 1 calc R
C18 C 0.0978(3) 0.0696(3) 0.2255(3) 0.0350(9) Uani 1 1 d .
H18A H 0.1385 0.0763 0.1841 0.052 Uiso 1 1 calc R
H18B H 0.0128 0.0588 0.1875 0.052 Uiso 1 1 calc R
H18C H 0.1025 0.0141 0.2531 0.052 Uiso 1 1 calc R
C19 C 0.3380(3) 0.2003(3) 0.3851(2) 0.0290(8) Uani 1 1 d .
H19A H 0.3454 0.1494 0.4194 0.044 Uiso 1 1 calc R
H19B H 0.3868 0.2645 0.4306 0.044 Uiso 1 1 calc R
H19C H 0.3666 0.1950 0.3364 0.044 Uiso 1 1 calc R
C20 C 0.1739(3) 0.2832(3) 0.2577(3) 0.0329(8) Uani 1 1 d .
H20A H 0.2086 0.2755 0.2135 0.049 Uiso 1 1 calc R
H20B H 0.2223 0.3474 0.3032 0.049 Uiso 1 1 calc R
H20C H 0.0907 0.2778 0.2212 0.049 Uiso 1 1 calc R
C21 C -0.1777(3) 0.1220(3) 0.2090(2) 0.0325(8) Uani 1 1 d .
H21A H -0.1935 0.0538 0.2111 0.049 Uiso 1 1 calc R
H21B H -0.1299 0.1410 0.1738 0.049 Uiso 1 1 calc R
H21C H -0.2546 0.1295 0.1767 0.049 Uiso 1 1 calc R
C22 C -0.2002(3) 0.1771(3) 0.3892(3) 0.0318(8) Uani 1 1 d .
H22A H -0.1591 0.2158 0.4558 0.048 Uiso 1 1 calc R
H22B H -0.2307 0.1077 0.3875 0.048 Uiso 1 1 calc R
H22C H -0.2680 0.1946 0.3522 0.048 Uiso 1 1 calc R
C23 C -0.0776(3) 0.3269(2) 0.3144(3) 0.0339(9) Uani 1 1 d .
H23A H -0.1581 0.3249 0.2740 0.051 Uiso 1 1 calc R
H23B H -0.0261 0.3459 0.2822 0.051 Uiso 1 1 calc R
H23C H -0.0419 0.3745 0.3759 0.051 Uiso 1 1 calc R
C24 C 0.7673(3) 0.3311(2) 0.6234(2) 0.0268(7) Uani 1 1 d .
H24A H 0.6970 0.3491 0.5932 0.032 Uiso 1 1 calc R
H24B H 0.7966 0.3201 0.5754 0.032 Uiso 1 1 calc R
C25 C 0.8649(3) 0.4106(2) 0.7081(2) 0.0267(7) Uani 1 1 d .
H25A H 0.9316 0.3898 0.7419 0.032 Uiso 1 1 calc R
H25B H 0.8975 0.4691 0.6871 0.032 Uiso 1 1 calc R
C26 C 0.9072(3) 0.5059(2) 0.8551(2) 0.0297(8) Uani 1 1 d .
H26A H 0.9431 0.5662 0.8380 0.036 Uiso 1 1 calc R
H26B H 0.9723 0.4835 0.8892 0.036 Uiso 1 1 calc R
C27 C 0.8529(3) 0.5263(2) 0.9188(3) 0.0302(8) Uani 1 1 d .
H27A H 0.9135 0.5819 0.9744 0.036 Uiso 1 1 calc R
H27B H 0.7834 0.5435 0.8832 0.036 Uiso 1 1 calc R
C28 C 0.7615(3) 0.4549(3) 1.0123(3) 0.0365(9) Uani 1 1 d .
H28A H 0.6870 0.4659 0.9768 0.044 Uiso 1 1 calc R
H28B H 0.8186 0.5127 1.0666 0.044 Uiso 1 1 calc R
C29 C 0.7322(3) 0.3660(3) 1.0491(2) 0.0373(9) Uani 1 1 d .
H29A H 0.8059 0.3526 1.0810 0.045 Uiso 1 1 calc R
H29B H 0.7024 0.3768 1.0967 0.045 Uiso 1 1 calc R
C30 C 0.6085(3) 0.1996(3) 1.0011(3) 0.0401(10) Uani 1 1 d .
H30A H 0.5762 0.2090 1.0474 0.048 Uiso 1 1 calc R
H30B H 0.6797 0.1833 1.0332 0.048 Uiso 1 1 calc R
C31 C 0.5136(3) 0.1181(3) 0.9153(3) 0.0371(9) Uani 1 1 d .
H31A H 0.4819 0.0591 0.9360 0.045 Uiso 1 1 calc R
H31B H 0.4456 0.1368 0.8796 0.045 Uiso 1 1 calc R
C32 C 0.4834(4) 0.0184(3) 0.7746(3) 0.0415(10) Uani 1 1 d .
H32A H 0.4121 0.0323 0.7360 0.050 Uiso 1 1 calc R
H32B H 0.4553 -0.0410 0.7959 0.050 Uiso 1 1 calc R
C33 C 0.5453(4) 0.0027(3) 0.7152(3) 0.0398(9) Uani 1 1 d .
H33A H 0.6234 -0.0006 0.7562 0.048 Uiso 1 1 calc R
H33B H 0.4944 -0.0596 0.6654 0.048 Uiso 1 1 calc R
C34 C 0.6323(3) 0.0750(3) 0.6201(3) 0.0326(8) Uani 1 1 d .
H34A H 0.5870 0.0143 0.5682 0.039 Uiso 1 1 calc R
H34B H 0.7106 0.0738 0.6637 0.039 Uiso 1 1 calc R
C35 C 0.6533(3) 0.1609(2) 0.5788(2) 0.0310(8) Uani 1 1 d .
H35A H 0.6887 0.1526 0.5347 0.037 Uiso 1 1 calc R
H35B H 0.5757 0.1672 0.5421 0.037 Uiso 1 1 calc R
C36 C 0.8871(4) 0.1952(4) 0.9695(3) 0.0641(14) Uani 1 1 d .
H36A H 0.8080 0.1510 0.9628 0.077 Uiso 1 1 calc R
H36B H 0.9254 0.2485 1.0282 0.077 Uiso 1 1 calc R
C37 C 0.9650(6) 0.1417(4) 0.9745(4) 0.0762(17) Uani 1 1 d .
H37A H 0.9167 0.0722 0.9398 0.091 Uiso 1 1 calc R
H37B H 1.0180 0.1461 1.0418 0.091 Uiso 1 1 calc R
C38 C 1.0370(4) 0.1932(4) 0.9266(4) 0.0648(15) Uani 1 1 d .
H38A H 1.1110 0.2490 0.9733 0.078 Uiso 1 1 calc R
H38B H 1.0602 0.1483 0.8946 0.078 Uiso 1 1 calc R
C39 C 0.9539(4) 0.2267(3) 0.8561(3) 0.0497(11) Uani 1 1 d .
H39A H 0.9989 0.2911 0.8502 0.060 Uiso 1 1 calc R
H39B H 0.9115 0.1798 0.7925 0.060 Uiso 1 1 calc R
C40 C 0.4370(6) 0.3255(5) 0.1194(6) 0.107(2) Uani 1 1 d .
H40 H 0.4753 0.3895 0.1600 0.128 Uiso 1 1 calc R
C41 C 0.4217(6) 0.2465(7) 0.1562(5) 0.117(3) Uani 1 1 d .
H41 H 0.4598 0.2559 0.2238 0.141 Uiso 1 1 calc R
C42 C 0.3560(7) 0.1575(7) 0.1017(6) 0.117(3) Uani 1 1 d .
H42 H 0.3432 0.1043 0.1302 0.140 Uiso 1 1 calc R
C43 C 0.3107(6) 0.1424(6) 0.0137(7) 0.105(2) Uani 1 1 d .
H43 H 0.2595 0.0780 -0.0247 0.126 Uiso 1 1 calc R
C44 C 0.3324(7) 0.2150(8) -0.0286(5) 0.108(3) Uani 1 1 d .
H44 H 0.3031 0.2005 -0.0962 0.129 Uiso 1 1 calc R
C45 C 0.3973(7) 0.3114(7) 0.0248(6) 0.106(2) Uani 1 1 d .
H45 H 0.4122 0.3639 -0.0044 0.127 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'
Ce Ce -0.2486 2.6331 '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'
Si Si 0.0817 0.0704 '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
C11 Ce1 C12 28.97(9) . .
C11 Ce1 C4 92.97(10) . .
C12 Ce1 C4 119.59(10) . .
C11 Ce1 C1 127.62(10) . .
C12 Ce1 C1 137.85(10) . .
C4 Ce1 C1 47.35(11) . .
C11 Ce1 C5 99.48(10) . .
C12 Ce1 C5 116.73(10) . .
C4 Ce1 C5 28.78(10) . .
C1 Ce1 C5 28.84(10) . .
C11 Ce1 C15 28.81(10) . .
C12 Ce1 C15 47.31(10) . .
C4 Ce1 C15 73.10(10) . .
C1 Ce1 C15 99.18(10) . .
C5 Ce1 C15 72.00(10) . .
C11 Ce1 C10 114.41(11) . .
C12 Ce1 C10 85.56(11) . .
C4 Ce1 C10 141.51(11) . .
C1 Ce1 C10 94.25(11) . .
C5 Ce1 C10 115.68(11) . .
C15 Ce1 C10 119.10(11) . .
C11 Ce1 C9 142.84(10) . .
C12 Ce1 C9 113.95(11) . .
C4 Ce1 C9 119.60(10) . .
C1 Ce1 C9 74.51(10) . .
C5 Ce1 C9 101.81(11) . .
C15 Ce1 C9 141.51(11) . .
C10 Ce1 C9 28.44(10) . .
C11 Ce1 C14 47.40(11) . .
C12 Ce1 C14 47.21(10) . .
C4 Ce1 C14 86.23(11) . .
C1 Ce1 C14 90.83(11) . .
C5 Ce1 C14 71.56(10) . .
C15 Ce1 C14 28.54(10) . .
C10 Ce1 C14 92.91(11) . .
C9 Ce1 C14 112.99(12) . .
C11 Ce1 C6 100.99(10) . .
C12 Ce1 C6 73.87(10) . .
C4 Ce1 C6 165.98(10) . .
C1 Ce1 C6 120.57(11) . .
C5 Ce1 C6 144.24(11) . .
C15 Ce1 C6 119.33(10) . .
C10 Ce1 C6 28.58(10) . .
C9 Ce1 C6 46.84(10) . .
C14 Ce1 C6 102.26(11) . .
C11 Ce1 C13 47.37(11) . .
C12 Ce1 C13 28.49(10) . .
C4 Ce1 C13 114.75(10) . .
C1 Ce1 C13 112.01(11) . .
C5 Ce1 C13 98.78(10) . .
C15 Ce1 C13 47.11(10) . .
C10 Ce1 C13 72.76(11) . .
C9 Ce1 C13 99.16(12) . .
C14 Ce1 C13 28.68(10) . .
C6 Ce1 C13 74.85(11) . .
C11 Ce1 C3 115.21(10) . .
C12 Ce1 C3 144.12(10) . .
C4 Ce1 C3 28.77(9) . .
C1 Ce1 C3 47.24(11) . .
C5 Ce1 C3 47.42(10) . .
C15 Ce1 C3 100.76(10) . .
C10 Ce1 C3 129.64(11) . .
C9 Ce1 C3 101.60(11) . .
C14 Ce1 C3 114.61(10) . .
C6 Ce1 C3 139.89(10) . .
C13 Ce1 C3 143.28(10) . .
O1 K1 O7 76.83(9) . .
O1 K1 O2 60.76(7) . .
O7 K1 O2 85.15(11) . .
O1 K1 O4 166.53(7) . .
O7 K1 O4 89.72(9) . .
O2 K1 O4 119.49(8) . .
O1 K1 O3 117.34(7) . .
O7 K1 O3 79.10(12) . .
O2 K1 O3 60.26(7) . .
O4 K1 O3 59.58(7) . .
O1 K1 O6 60.23(7) . .
O7 K1 O6 85.84(12) . .
O2 K1 O6 120.84(7) . .
O4 K1 O6 118.79(8) . .
O3 K1 O6 164.80(7) . .
O1 K1 O5 116.36(8) . .
O7 K1 O5 80.21(11) . .
O2 K1 O5 165.31(7) . .
O4 K1 O5 59.51(8) . .
O3 K1 O5 115.05(8) . .
O6 K1 O5 59.59(7) . .
O1 K1 C6 81.97(8) . .
O7 K1 C6 155.79(10) . .
O2 K1 C6 74.29(9) . .
O4 K1 C6 111.35(8) . .
O3 K1 C6 100.85(9) . .
O6 K1 C6 93.73(9) . .
O5 K1 C6 120.25(9) . .
O1 K1 C7 88.19(8) . .
O7 K1 C7 160.57(11) . .
O2 K1 C7 98.39(9) . .
O4 K1 C7 104.78(9) . .
O3 K1 C7 119.29(9) . .
O6 K1 C7 75.91(9) . .
O5 K1 C7 95.87(9) . .
C6 K1 C7 24.90(9) . .
O1 K1 C10 102.59(9) . .
O7 K1 C10 154.61(12) . .
O2 K1 C10 73.05(8) . .
O4 K1 C10 89.85(9) . .
O3 K1 C10 78.84(9) . .
O6 K1 C10 116.31(9) . .
O5 K1 C10 120.82(9) . .
C6 K1 C10 25.05(9) . .
C7 K1 C10 40.85(9) . .
O1 K1 C8 113.19(9) . .
O7 K1 C8 162.22(10) . .
O2 K1 C8 112.46(8) . .
O4 K1 C8 79.63(9) . .
O3 K1 C8 106.95(9) . .
O6 K1 C8 86.89(9) . .
O5 K1 C8 82.11(9) . .
C6 K1 C8 41.05(9) . .
C7 K1 C8 25.18(9) . .
C10 K1 C8 40.77(9) . .
O1 K1 C9 122.82(8) . .
O7 K1 C9 158.16(11) . .
O2 K1 C9 96.25(9) . .
O4 K1 C9 70.56(8) . .
O3 K1 C9 82.71(9) . .
O6 K1 C9 111.52(9) . .
O5 K1 C9 96.86(9) . .
C6 K1 C9 40.87(9) . .
C7 K1 C9 40.84(9) . .
C10 K1 C9 24.75(9) . .
C8 K1 C9 24.76(9) . .
C35 O1 C24 113.8(3) . .
C35 O1 K1 114.94(19) . .
C24 O1 K1 112.77(18) . .
C26 O2 C25 111.8(2) . .
C26 O2 K1 115.59(19) . .
C25 O2 K1 114.59(18) . .
C28 O3 C27 112.4(3) . .
C28 O3 K1 112.6(2) . .
C27 O3 K1 112.95(19) . .
C30 O4 C29 112.3(3) . .
C30 O4 K1 117.7(2) . .
C29 O4 K1 117.0(2) . .
C32 O5 C31 112.2(3) . .
C32 O5 K1 111.6(2) . .
C31 O5 K1 110.2(2) . .
C33 O6 C34 111.7(3) . .
C33 O6 K1 114.5(2) . .
C34 O6 K1 111.98(19) . .
C39 O7 C36 110.8(3) . .
C39 O7 K1 129.6(3) . .
C36 O7 K1 118.2(3) . .
Si4 Si1 Si3 99.54(5) . .
Si4 Si1 Si2 102.43(6) . .
Si3 Si1 Si2 98.81(5) . .
Si4 Si1 Ce1 115.26(5) . .
Si3 Si1 Ce1 111.43(4) . .
Si2 Si1 Ce1 125.37(5) . .
C17 Si2 C16 107.02(16) . .
C17 Si2 Si2 103.31(12) . 2_556
C16 Si2 Si2 106.66(12) . 2_556
C17 Si2 Si1 113.11(12) . .
C16 Si2 Si1 106.12(11) . .
Si2 Si2 Si1 119.89(6) 2_556 .
C20 Si3 C19 104.30(16) . .
C20 Si3 C18 102.66(16) . .
C19 Si3 C18 104.22(16) . .
C20 Si3 Si1 114.12(12) . .
C19 Si3 Si1 112.59(11) . .
C18 Si3 Si1 117.51(12) . .
C22 Si4 C23 102.44(17) . .
C22 Si4 C21 106.06(17) . .
C23 Si4 C21 101.95(16) . .
C22 Si4 Si1 111.97(12) . .
C23 Si4 Si1 115.13(12) . .
C21 Si4 Si1 117.66(12) . .
C2 C1 C5 108.3(3) . .
C2 C1 Ce1 77.08(19) . .
C5 C1 Ce1 75.59(18) . .
C1 C2 C3 108.1(3) . .
C1 C2 Ce1 74.35(18) . .
C3 C2 Ce1 75.53(18) . .
C2 C3 C4 107.5(3) . .
C2 C3 Ce1 75.96(18) . .
C4 C3 Ce1 74.44(18) . .
C5 C4 C3 108.4(3) . .
C5 C4 Ce1 75.65(18) . .
C3 C4 Ce1 76.79(18) . .
C4 C5 C1 107.6(3) . .
C4 C5 Ce1 75.57(18) . .
C1 C5 Ce1 75.57(18) . .
C7 C6 C10 108.0(3) . .
C7 C6 Ce1 76.31(18) . .
C10 C6 Ce1 74.92(19) . .
C7 C6 K1 77.86(19) . .
C10 C6 K1 78.3(2) . .
Ce1 C6 K1 134.46(12) . .
C6 C7 C8 108.1(3) . .
C6 C7 Ce1 75.50(18) . .
C8 C7 Ce1 75.57(18) . .
C6 C7 K1 77.24(19) . .
C8 C7 K1 78.30(19) . .
Ce1 C7 K1 133.66(13) . .
C9 C8 C7 107.4(3) . .
C9 C8 Ce1 75.11(19) . .
C7 C8 Ce1 75.81(18) . .
C9 C8 K1 77.70(19) . .
C7 C8 K1 76.52(19) . .
Ce1 C8 K1 132.80(12) . .
C10 C9 C8 108.5(3) . .
C10 C9 Ce1 75.4(2) . .
C8 C9 Ce1 76.54(19) . .
C10 C9 K1 77.18(19) . .
C8 C9 K1 77.54(19) . .
Ce1 C9 K1 133.48(13) . .
C9 C10 C6 108.0(3) . .
C9 C10 Ce1 76.14(19) . .
C6 C10 Ce1 76.50(19) . .
C9 C10 K1 78.1(2) . .
C6 C10 K1 76.63(19) . .
Ce1 C10 K1 134.38(13) . .
C15 C11 C12 107.3(3) . .
C15 C11 Ce1 76.22(19) . .
C12 C11 Ce1 75.68(18) . .
C13 C12 C11 108.5(3) . .
C13 C12 Ce1 77.02(19) . .
C11 C12 Ce1 75.35(18) . .
C12 C13 C14 107.9(3) . .
C12 C13 Ce1 74.49(19) . .
C14 C13 Ce1 75.44(19) . .
C15 C14 C13 107.8(3) . .
C15 C14 Ce1 75.15(19) . .
C13 C14 Ce1 75.87(19) . .
C14 C15 C11 108.5(3) . .
C14 C15 Ce1 76.32(19) . .
C11 C15 Ce1 74.97(18) . .
O1 C24 C25 108.4(3) . .
O2 C25 C24 109.2(3) . .
O2 C26 C27 109.7(3) . .
O3 C27 C26 108.7(3) . .
O3 C28 C29 109.1(3) . .
O4 C29 C28 109.1(3) . .
O4 C30 C31 109.2(3) . .
O5 C31 C30 108.8(3) . .
O5 C32 C33 108.8(3) . .
O6 C33 C32 108.7(3) . .
O6 C34 C35 109.1(3) . .
O1 C35 C34 108.7(3) . .
O7 C36 C37 106.3(4) . .
C36 C37 C38 102.6(4) . .
C39 C38 C37 103.5(4) . .
O7 C39 C38 107.0(4) . .
C45 C40 C41 118.5(7) . .
C42 C41 C40 122.2(7) . .
C43 C42 C41 120.6(8) . .
C42 C43 C44 121.1(9) . .
C43 C44 C45 121.1(8) . .
C40 C45 C44 115.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 C11 2.808(3) .
Ce1 C12 2.812(3) .
Ce1 C4 2.816(3) .
Ce1 C1 2.817(3) .
Ce1 C5 2.817(3) .
Ce1 C15 2.824(3) .
Ce1 C10 2.824(3) .
Ce1 C9 2.833(3) .
Ce1 C14 2.839(3) .
Ce1 C6 2.844(3) .
Ce1 C13 2.844(3) .
Ce1 C3 2.846(3) .
K1 O1 2.773(2) .
K1 O7 2.781(3) .
K1 O2 2.801(2) .
K1 O4 2.826(2) .
K1 O3 2.834(3) .
K1 O6 2.874(3) .
K1 O5 2.881(3) .
K1 C6 3.215(4) .
K1 C7 3.223(4) .
K1 C10 3.236(3) .
K1 C8 3.245(3) .
K1 C9 3.248(3) .
O1 C35 1.411(4) .
O1 C24 1.417(4) .
O2 C26 1.414(4) .
O2 C25 1.424(4) .
O3 C28 1.414(4) .
O3 C27 1.424(4) .
O4 C30 1.409(4) .
O4 C29 1.416(4) .
O5 C32 1.417(5) .
O5 C31 1.425(4) .
O6 C33 1.419(4) .
O6 C34 1.420(4) .
O7 C39 1.376(5) .
O7 C36 1.406(5) .
Si1 Si4 2.3601(15) .
Si1 Si3 2.3784(13) .
Si1 Si2 2.3981(13) .
Si2 C17 1.888(4) .
Si2 C16 1.893(3) .
Si2 Si2 2.3790(18) 2_556
Si3 C20 1.892(3) .
Si3 C19 1.893(3) .
Si3 C18 1.893(4) .
Si4 C22 1.882(3) .
Si4 C23 1.886(3) .
Si4 C21 1.896(4) .
C1 C2 1.399(5) .
C1 C5 1.403(5) .
C2 C3 1.403(5) .
C3 C4 1.407(5) .
C4 C5 1.400(5) .
C6 C7 1.388(5) .
C6 C10 1.399(5) .
C7 C8 1.410(5) .
C8 C9 1.392(5) .
C9 C10 1.390(5) .
C11 C15 1.401(5) .
C11 C12 1.406(5) .
C12 C13 1.392(5) .
C13 C14 1.408(5) .
C14 C15 1.396(5) .
C24 C25 1.486(5) .
C26 C27 1.493(5) .
C28 C29 1.497(5) .
C30 C31 1.500(5) .
C32 C33 1.499(5) .
C34 C35 1.488(5) .
C36 C37 1.468(6) .
C37 C38 1.497(7) .
C38 C39 1.470(6) .
C40 C45 1.334(9) .
C40 C41 1.356(10) .
C41 C42 1.312(10) .
C42 C43 1.232(9) .
C43 C44 1.335(10) .
C44 C45 1.391(10) .
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_4
O7 K1 O1 C35 112.2(2) .
O2 K1 O1 C35 -156.0(2) .
O4 K1 O1 C35 109.1(3) .
O3 K1 O1 C35 -177.7(2) .
O6 K1 O1 C35 19.4(2) .
O5 K1 O1 C35 40.3(2) .
C6 K1 O1 C35 -79.6(2) .
C7 K1 O1 C35 -55.4(2) .
C10 K1 O1 C35 -93.9(2) .
C8 K1 O1 C35 -52.3(2) .
C9 K1 O1 C35 -78.3(2) .
O7 K1 O1 C24 -115.1(2) .
O2 K1 O1 C24 -23.26(18) .
O4 K1 O1 C24 -118.2(3) .
O3 K1 O1 C24 -44.9(2) .
O6 K1 O1 C24 152.2(2) .
O5 K1 O1 C24 173.04(18) .
C6 K1 O1 C24 53.2(2) .
C7 K1 O1 C24 77.4(2) .
C10 K1 O1 C24 38.9(2) .
C8 K1 O1 C24 80.4(2) .
C9 K1 O1 C24 54.5(2) .
O1 K1 O2 C26 -143.7(2) .
O7 K1 O2 C26 -66.1(2) .
O4 K1 O2 C26 20.8(2) .
O3 K1 O2 C26 14.08(19) .
O6 K1 O2 C26 -148.3(2) .
O5 K1 O2 C26 -61.1(4) .
C6 K1 O2 C26 126.8(2) .
C7 K1 O2 C26 133.1(2) .
C10 K1 O2 C26 100.7(2) .
C8 K1 O2 C26 111.4(2) .
C9 K1 O2 C26 92.0(2) .
O1 K1 O2 C25 -11.46(19) .
O7 K1 O2 C25 66.1(2) .
O4 K1 O2 C25 153.07(19) .
O3 K1 O2 C25 146.4(2) .
O6 K1 O2 C25 -16.1(2) .
O5 K1 O2 C25 71.2(4) .
C6 K1 O2 C25 -100.9(2) .
C7 K1 O2 C25 -94.6(2) .
C10 K1 O2 C25 -127.0(2) .
C8 K1 O2 C25 -116.3(2) .
C9 K1 O2 C25 -135.8(2) .
O1 K1 O3 C28 170.7(2) .
O7 K1 O3 C28 -120.5(2) .
O2 K1 O3 C28 148.9(2) .
O4 K1 O3 C28 -24.3(2) .
O6 K1 O3 C28 -112.6(3) .
O5 K1 O3 C28 -46.8(2) .
C6 K1 O3 C28 84.2(2) .
C7 K1 O3 C28 66.2(2) .
C10 K1 O3 C28 72.2(2) .
C8 K1 O3 C28 42.3(2) .
C9 K1 O3 C28 47.4(2) .
O1 K1 O3 C27 42.1(2) .
O7 K1 O3 C27 111.0(2) .
O2 K1 O3 C27 20.34(18) .
O4 K1 O3 C27 -152.9(2) .
O6 K1 O3 C27 118.9(3) .
O5 K1 O3 C27 -175.36(19) .
C6 K1 O3 C27 -44.4(2) .
C7 K1 O3 C27 -62.3(2) .
C10 K1 O3 C27 -56.4(2) .
C8 K1 O3 C27 -86.3(2) .
C9 K1 O3 C27 -81.2(2) .
O1 K1 O4 C30 -67.7(4) .
O7 K1 O4 C30 -70.7(2) .
O2 K1 O4 C30 -155.0(2) .
O3 K1 O4 C30 -148.2(2) .
O6 K1 O4 C30 14.4(2) .
O5 K1 O4 C30 8.1(2) .
C6 K1 O4 C30 121.5(2) .
C7 K1 O4 C30 96.2(2) .
C10 K1 O4 C30 134.7(2) .
C8 K1 O4 C30 95.0(2) .
C9 K1 O4 C30 118.9(2) .
O1 K1 O4 C29 70.7(4) .
O7 K1 O4 C29 67.7(3) .
O2 K1 O4 C29 -16.6(3) .
O3 K1 O4 C29 -9.8(2) .
O6 K1 O4 C29 152.8(2) .
O5 K1 O4 C29 146.5(2) .
C6 K1 O4 C29 -100.1(2) .
C7 K1 O4 C29 -125.4(2) .
C10 K1 O4 C29 -86.9(2) .
C8 K1 O4 C29 -126.6(2) .
C9 K1 O4 C29 -102.7(2) .
O1 K1 O5 C32 -43.1(2) .
O7 K1 O5 C32 -113.0(2) .
O2 K1 O5 C32 -118.1(3) .
O4 K1 O5 C32 151.5(2) .
O3 K1 O5 C32 174.0(2) .
O6 K1 O5 C32 -22.1(2) .
C6 K1 O5 C32 53.1(2) .
C7 K1 O5 C32 47.8(2) .
C10 K1 O5 C32 82.3(2) .
C8 K1 O5 C32 68.9(2) .
C9 K1 O5 C32 88.9(2) .
O1 K1 O5 C31 -168.5(2) .
O7 K1 O5 C31 121.6(2) .
O2 K1 O5 C31 116.5(3) .
O4 K1 O5 C31 26.1(2) .
O3 K1 O5 C31 48.6(2) .
O6 K1 O5 C31 -147.5(2) .
C6 K1 O5 C31 -72.2(2) .
C7 K1 O5 C31 -77.6(2) .
C10 K1 O5 C31 -43.1(2) .
C8 K1 O5 C31 -56.4(2) .
C9 K1 O5 C31 -36.5(2) .
O1 K1 O6 C33 144.5(2) .
O7 K1 O6 C33 67.3(2) .
O2 K1 O6 C33 149.1(2) .
O4 K1 O6 C33 -20.1(2) .
O3 K1 O6 C33 59.5(4) .
O5 K1 O6 C33 -13.8(2) .
C6 K1 O6 C33 -137.0(2) .
C7 K1 O6 C33 -119.4(2) .
C10 K1 O6 C33 -125.7(2) .
C8 K1 O6 C33 -96.5(2) .
C9 K1 O6 C33 -99.1(2) .
O1 K1 O6 C34 16.0(2) .
O7 K1 O6 C34 -61.2(2) .
O2 K1 O6 C34 20.6(2) .
O4 K1 O6 C34 -148.6(2) .
O3 K1 O6 C34 -69.0(4) .
O5 K1 O6 C34 -142.3(2) .
C6 K1 O6 C34 94.5(2) .
C7 K1 O6 C34 112.1(2) .
C10 K1 O6 C34 105.9(2) .
C8 K1 O6 C34 135.0(2) .
C9 K1 O6 C34 132.5(2) .
O1 K1 O7 C39 9.1(4) .
O2 K1 O7 C39 -52.0(4) .
O4 K1 O7 C39 -171.6(4) .
O3 K1 O7 C39 -112.6(5) .
O6 K1 O7 C39 69.5(4) .
O5 K1 O7 C39 129.3(5) .
C6 K1 O7 C39 -20.4(7) .
C7 K1 O7 C39 49.5(7) .
C10 K1 O7 C39 -82.6(5) .
C8 K1 O7 C39 135.6(4) .
C9 K1 O7 C39 -146.7(4) .
O1 K1 O7 C36 -155.9(4) .
O2 K1 O7 C36 143.0(4) .
O4 K1 O7 C36 23.4(4) .
O3 K1 O7 C36 82.4(4) .
O6 K1 O7 C36 -95.5(4) .
O5 K1 O7 C36 -35.7(4) .
C6 K1 O7 C36 174.7(3) .
C7 K1 O7 C36 -115.5(4) .
C10 K1 O7 C36 112.4(4) .
C8 K1 O7 C36 -29.4(7) .
C9 K1 O7 C36 48.3(6) .
C11 Ce1 Si1 Si4 -56.48(8) .
C12 Ce1 Si1 Si4 -82.65(8) .
C4 Ce1 Si1 Si4 37.02(8) .
C1 Ce1 Si1 Si4 69.39(10) .
C5 Ce1 Si1 Si4 36.78(9) .
C15 Ce1 Si1 Si4 -35.83(8) .
C10 Ce1 Si1 Si4 -166.28(10) .
C9 Ce1 Si1 Si4 160.54(9) .
C14 Ce1 Si1 Si4 -47.52(10) .
C6 Ce1 Si1 Si4 -156.22(8) .
C13 Ce1 Si1 Si4 -80.03(9) .
C3 Ce1 Si1 Si4 64.01(8) .
C11 Ce1 Si1 Si3 55.98(8) .
C12 Ce1 Si1 Si3 29.81(8) .
C4 Ce1 Si1 Si3 149.48(8) .
C1 Ce1 Si1 Si3 -178.15(9) .
C5 Ce1 Si1 Si3 149.24(9) .
C15 Ce1 Si1 Si3 76.64(8) .
C10 Ce1 Si1 Si3 -53.81(10) .
C9 Ce1 Si1 Si3 -87.00(10) .
C14 Ce1 Si1 Si3 64.94(10) .
C6 Ce1 Si1 Si3 -43.76(8) .
C13 Ce1 Si1 Si3 32.44(9) .
C3 Ce1 Si1 Si3 176.48(8) .
C11 Ce1 Si1 Si2 174.70(8) .
C12 Ce1 Si1 Si2 148.53(8) .
C4 Ce1 Si1 Si2 -91.80(8) .
C1 Ce1 Si1 Si2 -59.43(10) .
C5 Ce1 Si1 Si2 -92.05(9) .
C15 Ce1 Si1 Si2 -164.65(8) .
C10 Ce1 Si1 Si2 64.90(11) .
C9 Ce1 Si1 Si2 31.71(10) .
C14 Ce1 Si1 Si2 -176.35(9) .
C6 Ce1 Si1 Si2 74.95(9) .
C13 Ce1 Si1 Si2 151.15(9) .
C3 Ce1 Si1 Si2 -64.81(8) .
Si4 Si1 Si2 C17 32.55(13) .
Si3 Si1 Si2 C17 -69.33(13) .
Ce1 Si1 Si2 C17 166.38(12) .
Si4 Si1 Si2 C16 149.59(13) .
Si3 Si1 Si2 C16 47.70(13) .
Ce1 Si1 Si2 C16 -76.59(13) .
Si4 Si1 Si2 Si2 -89.73(8) 2_556
Si3 Si1 Si2 Si2 168.39(6) 2_556
Ce1 Si1 Si2 Si2 44.09(8) 2_556
Si4 Si1 Si3 C20 50.29(14) .
Si2 Si1 Si3 C20 154.58(14) .
Ce1 Si1 Si3 C20 -71.78(14) .
Si4 Si1 Si3 C19 168.93(12) .
Si2 Si1 Si3 C19 -86.77(13) .
Ce1 Si1 Si3 C19 46.87(13) .
Si4 Si1 Si3 C18 -69.97(14) .
Si2 Si1 Si3 C18 34.33(14) .
Ce1 Si1 Si3 C18 167.97(13) .
Si3 Si1 Si4 C22 165.03(13) .
Si2 Si1 Si4 C22 63.72(14) .
Ce1 Si1 Si4 C22 -75.70(13) .
Si3 Si1 Si4 C23 -78.50(14) .
Si2 Si1 Si4 C23 -179.81(14) .
Ce1 Si1 Si4 C23 40.77(14) .
Si3 Si1 Si4 C21 41.78(14) .
Si2 Si1 Si4 C21 -59.53(14) .
Ce1 Si1 Si4 C21 161.05(13) .
C11 Ce1 C1 C2 127.6(2) .
C12 Ce1 C1 C2 165.00(19) .
C4 Ce1 C1 C2 76.0(2) .
C5 Ce1 C1 C2 113.1(3) .
C15 Ce1 C1 C2 132.7(2) .
C10 Ce1 C1 C2 -106.9(2) .
C9 Ce1 C1 C2 -86.2(2) .
C14 Ce1 C1 C2 160.1(2) .
C6 Ce1 C1 C2 -95.1(2) .
C13 Ce1 C1 C2 180.0(2) .
C3 Ce1 C1 C2 36.47(19) .
C11 Ce1 C1 C5 14.5(3) .
C12 Ce1 C1 C5 51.9(3) .
C4 Ce1 C1 C5 -37.1(2) .
C15 Ce1 C1 C5 19.6(2) .
C10 Ce1 C1 C5 140.0(2) .
C9 Ce1 C1 C5 160.7(2) .
C14 Ce1 C1 C5 47.0(2) .
C6 Ce1 C1 C5 151.8(2) .
C13 Ce1 C1 C5 66.9(2) .
C3 Ce1 C1 C5 -76.6(2) .
C5 C1 C2 C3 1.2(4) .
Ce1 C1 C2 C3 -68.6(2) .
C5 C1 C2 Ce1 69.8(2) .
C11 Ce1 C2 C1 -78.1(3) .
C12 Ce1 C2 C1 -39.0(5) .
C4 Ce1 C2 C1 -76.8(2) .
C5 Ce1 C2 C1 -37.2(2) .
C15 Ce1 C2 C1 -54.8(2) .
C10 Ce1 C2 C1 77.0(2) .
C9 Ce1 C2 C1 85.7(2) .
C14 Ce1 C2 C1 -22.6(2) .
C6 Ce1 C2 C1 101.6(2) .
C13 Ce1 C2 C1 -0.1(3) .
C3 Ce1 C2 C1 -113.9(3) .
C11 Ce1 C2 C3 35.9(3) .
C12 Ce1 C2 C3 75.0(4) .
C4 Ce1 C2 C3 37.17(19) .
C1 Ce1 C2 C3 113.9(3) .
C5 Ce1 C2 C3 76.8(2) .
C15 Ce1 C2 C3 59.1(2) .
C10 Ce1 C2 C3 -169.0(2) .
C9 Ce1 C2 C3 -160.4(2) .
C14 Ce1 C2 C3 91.4(2) .
C6 Ce1 C2 C3 -144.5(2) .
C13 Ce1 C2 C3 113.9(2) .
C1 C2 C3 C4 -0.5(4) .
Ce1 C2 C3 C4 -68.4(2) .
C1 C2 C3 Ce1 67.8(2) .
C11 Ce1 C3 C2 -155.46(19) .
C12 Ce1 C3 C2 -152.93(19) .
C4 Ce1 C3 C2 -113.1(3) .
C1 Ce1 C3 C2 -36.54(19) .
C5 Ce1 C3 C2 -76.1(2) .
C15 Ce1 C3 C2 -129.1(2) .
C10 Ce1 C3 C2 14.0(3) .
C9 Ce1 C3 C2 19.3(2) .
C14 Ce1 C3 C2 -102.8(2) .
C6 Ce1 C3 C2 52.2(3) .
C13 Ce1 C3 C2 -103.8(2) .
C11 Ce1 C3 C4 -42.4(2) .
C12 Ce1 C3 C4 -39.9(3) .
C1 Ce1 C3 C4 76.5(2) .
C5 Ce1 C3 C4 36.9(2) .
C15 Ce1 C3 C4 -16.1(2) .
C10 Ce1 C3 C4 127.1(2) .
C9 Ce1 C3 C4 132.4(2) .
C14 Ce1 C3 C4 10.2(2) .
C6 Ce1 C3 C4 165.2(2) .
C13 Ce1 C3 C4 9.2(3) .
C2 C3 C4 C5 -0.3(4) .
Ce1 C3 C4 C5 -69.7(2) .
C2 C3 C4 Ce1 69.4(2) .
C11 Ce1 C4 C5 -104.4(2) .
C12 Ce1 C4 C5 -92.3(2) .
C1 Ce1 C4 C5 37.2(2) .
C15 Ce1 C4 C5 -83.2(2) .
C10 Ce1 C4 C5 32.5(3) .
C9 Ce1 C4 C5 57.0(2) .
C14 Ce1 C4 C5 -57.4(2) .
C6 Ce1 C4 C5 70.5(5) .
C13 Ce1 C4 C5 -60.7(2) .
C3 Ce1 C4 C5 113.3(3) .
C11 Ce1 C4 C3 142.3(2) .
C12 Ce1 C4 C3 154.4(2) .
C1 Ce1 C4 C3 -76.1(2) .
C5 Ce1 C4 C3 -113.3(3) .
C15 Ce1 C4 C3 163.5(2) .
C10 Ce1 C4 C3 -80.8(3) .
C9 Ce1 C4 C3 -56.3(2) .
C14 Ce1 C4 C3 -170.7(2) .
C6 Ce1 C4 C3 -42.8(5) .
C13 Ce1 C4 C3 -173.9(2) .
C3 C4 C5 C1 1.1(4) .
Ce1 C4 C5 C1 -69.4(2) .
C3 C4 C5 Ce1 70.5(2) .
C2 C1 C5 C4 -1.4(4) .
Ce1 C1 C5 C4 69.4(2) .
C2 C1 C5 Ce1 -70.8(2) .
C11 Ce1 C5 C4 78.8(2) .
C12 Ce1 C5 C4 103.4(2) .
C1 Ce1 C5 C4 -112.8(3) .
C15 Ce1 C5 C4 87.5(2) .
C10 Ce1 C5 C4 -158.2(2) .
C9 Ce1 C5 C4 -131.9(2) .
C14 Ce1 C5 C4 117.6(2) .
C6 Ce1 C5 C4 -157.0(2) .
C13 Ce1 C5 C4 126.8(2) .
C3 Ce1 C5 C4 -36.90(19) .
C11 Ce1 C5 C1 -168.4(2) .
C12 Ce1 C5 C1 -143.8(2) .
C4 Ce1 C5 C1 112.8(3) .
C15 Ce1 C5 C1 -159.6(2) .
C10 Ce1 C5 C1 -45.4(2) .
C9 Ce1 C5 C1 -19.0(2) .
C14 Ce1 C5 C1 -129.6(2) .
C6 Ce1 C5 C1 -44.2(3) .
C13 Ce1 C5 C1 -120.4(2) .
C3 Ce1 C5 C1 75.9(2) .
C11 Ce1 C6 C7 -125.2(2) .
C12 Ce1 C6 C7 -135.5(2) .
C4 Ce1 C6 C7 60.0(5) .
C1 Ce1 C6 C7 88.0(2) .
C5 Ce1 C6 C7 111.0(2) .
C15 Ce1 C6 C7 -149.0(2) .
C10 Ce1 C6 C7 113.2(3) .
C9 Ce1 C6 C7 76.2(2) .
C14 Ce1 C6 C7 -173.6(2) .
C13 Ce1 C6 C7 -165.1(2) .
C3 Ce1 C6 C7 29.5(3) .
C11 Ce1 C6 C10 121.6(2) .
C12 Ce1 C6 C10 111.3(2) .
C4 Ce1 C6 C10 -53.2(5) .
C1 Ce1 C6 C10 -25.2(3) .
C5 Ce1 C6 C10 -2.3(3) .
C15 Ce1 C6 C10 97.7(2) .
C9 Ce1 C6 C10 -37.0(2) .
C14 Ce1 C6 C10 73.1(2) .
C13 Ce1 C6 C10 81.7(2) .
C3 Ce1 C6 C10 -83.7(3) .
C11 Ce1 C6 K1 177.64(17) .
C12 Ce1 C6 K1 167.3(2) .
C4 Ce1 C6 K1 2.8(6) .
C1 Ce1 C6 K1 30.8(2) .
C5 Ce1 C6 K1 53.8(3) .
C15 Ce1 C6 K1 153.82(16) .
C10 Ce1 C6 K1 56.1(2) .
C9 Ce1 C6 K1 19.08(15) .
C14 Ce1 C6 K1 129.20(18) .
C13 Ce1 C6 K1 137.8(2) .
C3 Ce1 C6 K1 -27.6(3) .
O1 K1 C6 C7 103.2(2) .
O7 K1 C6 C7 132.1(3) .
O2 K1 C6 C7 165.0(2) .
O4 K1 C6 C7 -79.0(2) .
O3 K1 C6 C7 -140.4(2) .
O6 K1 C6 C7 44.0(2) .
O5 K1 C6 C7 -12.7(2) .
C10 K1 C6 C7 -111.5(3) .
C8 K1 C6 C7 -36.97(19) .
C9 K1 C6 C7 -75.1(2) .
O1 K1 C6 C10 -145.3(2) .
O7 K1 C6 C10 -116.4(3) .
O2 K1 C6 C10 -83.5(2) .
O4 K1 C6 C10 32.5(2) .
O3 K1 C6 C10 -28.9(2) .
O6 K1 C6 C10 155.5(2) .
O5 K1 C6 C10 98.8(2) .
C7 K1 C6 C10 111.5(3) .
C8 K1 C6 C10 74.6(2) .
C9 K1 C6 C10 36.4(2) .
O1 K1 C6 Ce1 159.80(19) .
O7 K1 C6 Ce1 -171.3(3) .
O2 K1 C6 Ce1 -138.41(19) .
O4 K1 C6 Ce1 -22.4(2) .
O3 K1 C6 Ce1 -83.76(18) .
O6 K1 C6 Ce1 100.58(18) .
O5 K1 C6 Ce1 43.9(2) .
C7 K1 C6 Ce1 56.6(2) .
C10 K1 C6 Ce1 -54.9(2) .
C8 K1 C6 Ce1 19.65(15) .
C9 K1 C6 Ce1 -18.53(14) .
C10 C6 C7 C8 -0.3(4) .
Ce1 C6 C7 C8 -69.2(2) .
K1 C6 C7 C8 73.0(2) .
C10 C6 C7 Ce1 68.9(2) .
K1 C6 C7 Ce1 142.16(10) .
C10 C6 C7 K1 -73.3(2) .
Ce1 C6 C7 K1 -142.16(10) .
C11 Ce1 C7 C6 63.0(2) .
C12 Ce1 C7 C6 42.5(2) .
C4 Ce1 C7 C6 -159.6(2) .
C1 Ce1 C7 C6 -107.2(2) .
C5 Ce1 C7 C6 -110.0(2) .
C15 Ce1 C7 C6 46.4(3) .
C10 Ce1 C7 C6 -37.1(2) .
C9 Ce1 C7 C6 -76.5(2) .
C14 Ce1 C7 C6 8.2(3) .
C13 Ce1 C7 C6 14.7(2) .
C3 Ce1 C7 C6 -159.6(2) .
C11 Ce1 C7 C8 176.5(2) .
C12 Ce1 C7 C8 155.9(2) .
C4 Ce1 C7 C8 -46.2(3) .
C1 Ce1 C7 C8 6.2(2) .
C5 Ce1 C7 C8 3.4(3) .
C15 Ce1 C7 C8 159.8(2) .
C10 Ce1 C7 C8 76.4(2) .
C9 Ce1 C7 C8 37.0(2) .
C14 Ce1 C7 C8 121.6(2) .
C6 Ce1 C7 C8 113.4(3) .
C13 Ce1 C7 C8 128.2(2) .
C3 Ce1 C7 C8 -46.2(2) .
C11 Ce1 C7 K1 118.79(17) .
C12 Ce1 C7 K1 98.28(18) .
C4 Ce1 C7 K1 -103.9(2) .
C1 Ce1 C7 K1 -51.4(2) .
C5 Ce1 C7 K1 -54.3(3) .
C15 Ce1 C7 K1 102.2(2) .
C10 Ce1 C7 K1 18.69(15) .
C9 Ce1 C7 K1 -20.70(15) .
C14 Ce1 C7 K1 63.9(2) .
C6 Ce1 C7 K1 55.8(2) .
C13 Ce1 C7 K1 70.51(19) .
C3 Ce1 C7 K1 -103.86(18) .
O1 K1 C7 C6 -74.7(2) .
O7 K1 C7 C6 -113.9(3) .
O2 K1 C7 C6 -14.6(2) .
O4 K1 C7 C6 109.0(2) .
O3 K1 C7 C6 45.9(2) .
O6 K1 C7 C6 -134.4(2) .
O5 K1 C7 C6 169.0(2) .
C10 K1 C7 C6 37.0(2) .
C8 K1 C7 C6 111.9(3) .
C9 K1 C7 C6 75.3(2) .
O1 K1 C7 C8 173.4(2) .
O7 K1 C7 C8 134.3(3) .
O2 K1 C7 C8 -126.5(2) .
O4 K1 C7 C8 -2.8(2) .
O3 K1 C7 C8 -65.9(2) .
O6 K1 C7 C8 113.7(2) .
O5 K1 C7 C8 57.1(2) .
C6 K1 C7 C8 -111.9(3) .
C10 K1 C7 C8 -74.8(2) .
C9 K1 C7 C8 -36.58(19) .
O1 K1 C7 Ce1 -129.87(18) .
O7 K1 C7 Ce1 -169.1(3) .
O2 K1 C7 Ce1 -69.78(18) .
O4 K1 C7 Ce1 53.83(19) .
O3 K1 C7 Ce1 -9.3(2) .
O6 K1 C7 Ce1 170.41(19) .
O5 K1 C7 Ce1 113.81(18) .
C6 K1 C7 Ce1 -55.2(2) .
C10 K1 C7 Ce1 -18.15(15) .
C8 K1 C7 Ce1 56.7(2) .
C9 K1 C7 Ce1 20.10(15) .
C6 C7 C8 C9 0.0(4) .
Ce1 C7 C8 C9 -69.1(2) .
K1 C7 C8 C9 72.3(2) .
C6 C7 C8 Ce1 69.1(2) .
K1 C7 C8 Ce1 141.38(10) .
C6 C7 C8 K1 -72.2(2) .
Ce1 C7 C8 K1 -141.38(10) .
C11 Ce1 C8 C9 107.2(3) .
C12 Ce1 C8 C9 84.6(2) .
C4 Ce1 C8 C9 -97.5(2) .
C1 Ce1 C8 C9 -61.7(2) .
C5 Ce1 C8 C9 -65.1(2) .
C15 Ce1 C8 C9 54.9(5) .
C10 Ce1 C8 C9 36.7(2) .
C14 Ce1 C8 C9 26.4(3) .
C6 Ce1 C8 C9 76.2(2) .
C13 Ce1 C8 C9 51.9(2) .
C3 Ce1 C8 C9 -108.6(2) .
C11 Ce1 C8 C7 -5.5(3) .
C12 Ce1 C8 C7 -28.1(2) .
C4 Ce1 C8 C7 149.8(2) .
C1 Ce1 C8 C7 -174.4(2) .
C5 Ce1 C8 C7 -177.8(2) .
C15 Ce1 C8 C7 -57.8(5) .
C10 Ce1 C8 C7 -76.0(2) .
C9 Ce1 C8 C7 -112.7(3) .
C14 Ce1 C8 C7 -86.3(3) .
C6 Ce1 C8 C7 -36.4(2) .
C13 Ce1 C8 C7 -60.8(2) .
C3 Ce1 C8 C7 138.7(2) .
C11 Ce1 C8 K1 50.3(3) .
C12 Ce1 C8 K1 27.7(2) .
C4 Ce1 C8 K1 -154.35(15) .
C1 Ce1 C8 K1 -118.58(18) .
C5 Ce1 C8 K1 -121.99(17) .
C15 Ce1 C8 K1 -1.9(5) .
C10 Ce1 C8 K1 -20.14(15) .
C9 Ce1 C8 K1 -56.9(2) .
C14 Ce1 C8 K1 -30.5(3) .
C6 Ce1 C8 K1 19.38(14) .
C13 Ce1 C8 K1 -5.0(2) .
C3 Ce1 C8 K1 -165.45(18) .
O1 K1 C8 C9 -118.6(2) .
O7 K1 C8 C9 119.8(4) .
O2 K1 C8 C9 -52.1(2) .
O4 K1 C8 C9 65.7(2) .
O3 K1 C8 C9 12.2(2) .
O6 K1 C8 C9 -174.3(2) .
O5 K1 C8 C9 126.0(2) .
C6 K1 C8 C9 -75.0(2) .
C7 K1 C8 C9 -111.5(3) .
C10 K1 C8 C9 -36.3(2) .
O1 K1 C8 C7 -7.1(2) .
O7 K1 C8 C7 -128.7(4) .
O2 K1 C8 C7 59.4(2) .
O4 K1 C8 C7 177.2(2) .
O3 K1 C8 C7 123.6(2) .
O6 K1 C8 C7 -62.8(2) .
O5 K1 C8 C7 -122.5(2) .
C6 K1 C8 C7 36.52(19) .
C10 K1 C8 C7 75.2(2) .
C9 K1 C8 C7 111.5(3) .
O1 K1 C8 Ce1 -62.69(19) .
O7 K1 C8 Ce1 175.7(3) .
O2 K1 C8 Ce1 3.9(2) .
O4 K1 C8 Ce1 121.64(18) .
O3 K1 C8 Ce1 68.07(19) .
O6 K1 C8 Ce1 -118.34(18) .
O5 K1 C8 Ce1 -178.05(19) .
C6 K1 C8 Ce1 -19.04(14) .
C7 K1 C8 Ce1 -55.6(2) .
C10 K1 C8 Ce1 19.63(14) .
C9 K1 C8 Ce1 55.9(2) .
C7 C8 C9 C10 0.3(4) .
Ce1 C8 C9 C10 -69.3(2) .
K1 C8 C9 C10 71.7(2) .
C7 C8 C9 Ce1 69.6(2) .
K1 C8 C9 Ce1 141.03(9) .
C7 C8 C9 K1 -71.4(2) .
Ce1 C8 C9 K1 -141.03(9) .
C11 Ce1 C9 C10 0.8(3) .
C12 Ce1 C9 C10 3.6(2) .
C4 Ce1 C9 C10 -147.3(2) .
C1 Ce1 C9 C10 -132.3(2) .
C5 Ce1 C9 C10 -122.9(2) .
C15 Ce1 C9 C10 -47.1(3) .
C14 Ce1 C9 C10 -48.1(2) .
C6 Ce1 C9 C10 37.2(2) .
C13 Ce1 C9 C10 -21.9(2) .
C3 Ce1 C9 C10 -171.4(2) .
C11 Ce1 C9 C8 -112.8(2) .
C12 Ce1 C9 C8 -109.9(2) .
C4 Ce1 C9 C8 99.2(2) .
C1 Ce1 C9 C8 114.1(2) .
C5 Ce1 C9 C8 123.5(2) .
C15 Ce1 C9 C8 -160.62(19) .
C10 Ce1 C9 C8 -113.6(3) .
C14 Ce1 C9 C8 -161.7(2) .
C6 Ce1 C9 C8 -76.4(2) .
C13 Ce1 C9 C8 -135.4(2) .
C3 Ce1 C9 C8 75.0(2) .
C11 Ce1 C9 K1 -55.0(3) .
C12 Ce1 C9 K1 -52.1(2) .
C4 Ce1 C9 K1 156.97(15) .
C1 Ce1 C9 K1 171.9(2) .
C5 Ce1 C9 K1 -178.68(17) .
C15 Ce1 C9 K1 -102.8(2) .
C10 Ce1 C9 K1 -55.8(2) .
C14 Ce1 C9 K1 -103.88(18) .
C6 Ce1 C9 K1 -18.56(15) .
C13 Ce1 C9 K1 -77.63(19) .
C3 Ce1 C9 K1 132.83(18) .
O1 K1 C9 C10 -38.8(2) .
O7 K1 C9 C10 112.8(3) .
O2 K1 C9 C10 20.3(2) .
O4 K1 C9 C10 139.4(2) .
O3 K1 C9 C10 79.1(2) .
O6 K1 C9 C10 -106.4(2) .
O5 K1 C9 C10 -166.4(2) .
C6 K1 C9 C10 -36.8(2) .
C7 K1 C9 C10 -75.3(2) .
C8 K1 C9 C10 -112.6(3) .
O1 K1 C9 C8 73.8(2) .
O7 K1 C9 C8 -134.6(3) .
O2 K1 C9 C8 132.9(2) .
O4 K1 C9 C8 -108.0(2) .
O3 K1 C9 C8 -168.3(2) .
O6 K1 C9 C8 6.2(2) .
O5 K1 C9 C8 -53.8(2) .
C6 K1 C9 C8 75.7(2) .
C7 K1 C9 C8 37.3(2) .
C10 K1 C9 C8 112.6(3) .
O1 K1 C9 Ce1 16.3(2) .
O7 K1 C9 Ce1 168.0(2) .
O2 K1 C9 Ce1 75.40(19) .
O4 K1 C9 Ce1 -165.5(2) .
O3 K1 C9 Ce1 134.27(19) .
O6 K1 C9 Ce1 -51.3(2) .
O5 K1 C9 Ce1 -111.24(18) .
C6 K1 C9 Ce1 18.29(14) .
C7 K1 C9 Ce1 -20.19(15) .
C10 K1 C9 Ce1 55.1(2) .
C8 K1 C9 Ce1 -57.4(2) .
C8 C9 C10 C6 -0.5(4) .
Ce1 C9 C10 C6 -70.5(2) .
K1 C9 C10 C6 71.5(2) .
C8 C9 C10 Ce1 70.1(2) .
K1 C9 C10 Ce1 142.04(10) .
C8 C9 C10 K1 -72.0(2) .
Ce1 C9 C10 K1 -142.04(10) .
C7 C6 C10 C9 0.5(4) .
Ce1 C6 C10 C9 70.3(2) .
K1 C6 C10 C9 -72.5(2) .
C7 C6 C10 Ce1 -69.8(2) .
K1 C6 C10 Ce1 -142.78(10) .
C7 C6 C10 K1 73.0(2) .
Ce1 C6 C10 K1 142.78(10) .
C11 Ce1 C10 C9 -179.5(2) .
C12 Ce1 C10 C9 -176.7(2) .
C4 Ce1 C10 C9 49.1(3) .
C1 Ce1 C10 C9 45.6(2) .
C5 Ce1 C10 C9 65.7(2) .
C15 Ce1 C10 C9 148.6(2) .
C14 Ce1 C10 C9 136.7(2) .
C6 Ce1 C10 C9 -112.8(3) .
C13 Ce1 C10 C9 157.4(2) .
C3 Ce1 C10 C9 11.0(3) .
C11 Ce1 C10 C6 -66.7(2) .
C12 Ce1 C10 C6 -63.9(2) .
C4 Ce1 C10 C6 161.8(2) .
C1 Ce1 C10 C6 158.4(2) .
C5 Ce1 C10 C6 178.5(2) .
C15 Ce1 C10 C6 -98.6(2) .
C9 Ce1 C10 C6 112.8(3) .
C14 Ce1 C10 C6 -110.6(2) .
C13 Ce1 C10 C6 -89.9(2) .
C3 Ce1 C10 C6 123.7(2) .
C11 Ce1 C10 K1 -122.13(18) .
C12 Ce1 C10 K1 -119.30(19) .
C4 Ce1 C10 K1 106.4(2) .
C1 Ce1 C10 K1 102.97(19) .
C5 Ce1 C10 K1 123.11(18) .
C15 Ce1 C10 K1 -154.06(16) .
C9 Ce1 C10 K1 57.4(2) .
C14 Ce1 C10 K1 -165.98(19) .
C6 Ce1 C10 K1 -55.4(2) .
C13 Ce1 C10 K1 -145.3(2) .
C3 Ce1 C10 K1 68.3(2) .
O1 K1 C10 C9 147.3(2) .
O7 K1 C10 C9 -126.9(3) .
O2 K1 C10 C9 -158.9(2) .
O4 K1 C10 C9 -37.9(2) .
O3 K1 C10 C9 -96.8(2) .
O6 K1 C10 C9 84.5(2) .
O5 K1 C10 C9 15.8(2) .
C6 K1 C10 C9 112.1(3) .
C7 K1 C10 C9 75.3(2) .
C8 K1 C10 C9 36.3(2) .
O1 K1 C10 C6 35.3(2) .
O7 K1 C10 C6 121.0(3) .
O2 K1 C10 C6 89.0(2) .
O4 K1 C10 C6 -149.9(2) .
O3 K1 C10 C6 151.1(2) .
O6 K1 C10 C6 -27.5(2) .
O5 K1 C10 C6 -96.3(2) .
C7 K1 C10 C6 -36.8(2) .
C8 K1 C10 C6 -75.7(2) .
C9 K1 C10 C6 -112.1(3) .
O1 K1 C10 Ce1 90.66(19) .
O7 K1 C10 Ce1 176.42(17) .
O2 K1 C10 Ce1 144.4(2) .
O4 K1 C10 Ce1 -94.56(19) .
O3 K1 C10 Ce1 -153.5(2) .
O6 K1 C10 Ce1 27.9(2) .
O5 K1 C10 Ce1 -40.9(2) .
C6 K1 C10 Ce1 55.4(2) .
C7 K1 C10 Ce1 18.59(15) .
C8 K1 C10 Ce1 -20.37(15) .
C9 K1 C10 Ce1 -56.7(2) .
C12 Ce1 C11 C15 -112.3(3) .
C4 Ce1 C11 C15 45.7(2) .
C1 Ce1 C11 C15 10.4(2) .
C5 Ce1 C11 C15 17.5(2) .
C10 Ce1 C11 C15 -106.5(2) .
C9 Ce1 C11 C15 -106.9(2) .
C14 Ce1 C11 C15 -36.4(2) .
C6 Ce1 C11 C15 -133.0(2) .
C13 Ce1 C11 C15 -75.8(2) .
C3 Ce1 C11 C15 64.7(2) .
C4 Ce1 C11 C12 158.0(2) .
C1 Ce1 C11 C12 122.7(2) .
C5 Ce1 C11 C12 129.8(2) .
C15 Ce1 C11 C12 112.3(3) .
C10 Ce1 C11 C12 5.8(2) .
C9 Ce1 C11 C12 5.4(3) .
C14 Ce1 C11 C12 75.9(2) .
C6 Ce1 C11 C12 -20.8(2) .
C13 Ce1 C11 C12 36.52(19) .
C3 Ce1 C11 C12 176.95(19) .
C15 C11 C12 C13 -0.3(4) .
Ce1 C11 C12 C13 -70.6(2) .
C15 C11 C12 Ce1 70.3(2) .
C11 Ce1 C12 C13 113.4(3) .
C4 Ce1 C12 C13 87.9(2) .
C1 Ce1 C12 C13 30.1(3) .
C5 Ce1 C12 C13 55.3(2) .
C15 Ce1 C12 C13 76.0(2) .
C10 Ce1 C12 C13 -61.3(2) .
C9 Ce1 C12 C13 -63.0(2) .
C14 Ce1 C12 C13 36.8(2) .
C6 Ce1 C12 C13 -87.9(2) .
C3 Ce1 C12 C13 108.7(2) .
C4 Ce1 C12 C11 -25.5(2) .
C1 Ce1 C12 C11 -83.2(2) .
C5 Ce1 C12 C11 -58.1(2) .
C15 Ce1 C12 C11 -37.34(19) .
C10 Ce1 C12 C11 -174.7(2) .
C9 Ce1 C12 C11 -176.41(19) .
C14 Ce1 C12 C11 -76.6(2) .
C6 Ce1 C12 C11 158.8(2) .
C13 Ce1 C12 C11 -113.4(3) .
C3 Ce1 C12 C11 -4.7(3) .
C11 C12 C13 C14 0.8(4) .
Ce1 C12 C13 C14 -68.7(2) .
C11 C12 C13 Ce1 69.5(2) .
C11 Ce1 C13 C12 -37.18(19) .
C4 Ce1 C13 C12 -106.9(2) .
C1 Ce1 C13 C12 -158.7(2) .
C5 Ce1 C13 C12 -132.0(2) .
C15 Ce1 C13 C12 -76.8(2) .
C10 Ce1 C13 C12 113.7(2) .
C9 Ce1 C13 C12 124.4(2) .
C14 Ce1 C13 C12 -113.6(3) .
C6 Ce1 C13 C12 84.0(2) .
C3 Ce1 C13 C12 -111.8(2) .
C11 Ce1 C13 C14 76.4(2) .
C12 Ce1 C13 C14 113.6(3) .
C4 Ce1 C13 C14 6.7(3) .
C1 Ce1 C13 C14 -45.1(2) .
C5 Ce1 C13 C14 -18.4(2) .
C15 Ce1 C13 C14 36.8(2) .
C10 Ce1 C13 C14 -132.7(2) .
C9 Ce1 C13 C14 -122.0(2) .
C6 Ce1 C13 C14 -162.4(2) .
C3 Ce1 C13 C14 1.9(3) .
C12 C13 C14 C15 -1.0(4) .
Ce1 C13 C14 C15 -69.0(2) .
C12 C13 C14 Ce1 68.0(2) .
C11 Ce1 C14 C15 36.79(19) .
C12 Ce1 C14 C15 76.6(2) .
C4 Ce1 C14 C15 -60.7(2) .
C1 Ce1 C14 C15 -107.9(2) .
C5 Ce1 C14 C15 -86.1(2) .
C10 Ce1 C14 C15 157.8(2) .
C9 Ce1 C14 C15 178.6(2) .
C6 Ce1 C14 C15 130.5(2) .
C13 Ce1 C14 C15 113.1(3) .
C3 Ce1 C14 C15 -65.6(2) .
C11 Ce1 C14 C13 -76.3(2) .
C12 Ce1 C14 C13 -36.5(2) .
C4 Ce1 C14 C13 -173.9(2) .
C1 Ce1 C14 C13 139.0(2) .
C5 Ce1 C14 C13 160.8(2) .
C15 Ce1 C14 C13 -113.1(3) .
C10 Ce1 C14 C13 44.7(2) .
C9 Ce1 C14 C13 65.5(2) .
C6 Ce1 C14 C13 17.4(2) .
C3 Ce1 C14 C13 -178.8(2) .
C13 C14 C15 C11 0.8(4) .
Ce1 C14 C15 C11 -68.7(2) .
C13 C14 C15 Ce1 69.5(2) .
C12 C11 C15 C14 -0.3(4) .
Ce1 C11 C15 C14 69.6(2) .
C12 C11 C15 Ce1 -69.9(2) .
C11 Ce1 C15 C14 -113.8(3) .
C12 Ce1 C15 C14 -76.2(2) .
C4 Ce1 C15 C14 114.5(2) .
C1 Ce1 C15 C14 74.5(2) .
C5 Ce1 C15 C14 84.3(2) .
C10 Ce1 C15 C14 -25.6(2) .
C9 Ce1 C15 C14 -2.1(3) .
C6 Ce1 C15 C14 -58.4(2) .
C13 Ce1 C15 C14 -37.0(2) .
C3 Ce1 C15 C14 122.5(2) .
C12 Ce1 C15 C11 37.58(19) .
C4 Ce1 C15 C11 -131.7(2) .
C1 Ce1 C15 C11 -171.6(2) .
C5 Ce1 C15 C11 -161.9(2) .
C10 Ce1 C15 C11 88.2(2) .
C9 Ce1 C15 C11 111.7(2) .
C14 Ce1 C15 C11 113.8(3) .
C6 Ce1 C15 C11 55.4(2) .
C13 Ce1 C15 C11 76.8(2) .
C3 Ce1 C15 C11 -123.7(2) .
C35 O1 C24 C25 -171.3(3) .
K1 O1 C24 C25 55.4(3) .
C26 O2 C25 C24 177.5(3) .
K1 O2 C25 C24 43.4(3) .
O1 C24 C25 O2 -66.6(3) .
C25 O2 C26 C27 -179.5(3) .
K1 O2 C26 C27 -46.0(3) .
C28 O3 C27 C26 179.8(3) .
K1 O3 C27 C26 -51.6(3) .
O2 C26 C27 O3 65.7(4) .
C27 O3 C28 C29 -175.4(3) .
K1 O3 C28 C29 55.7(3) .
C30 O4 C29 C28 -178.7(3) .
K1 O4 C29 C28 40.8(3) .
O3 C28 C29 O4 -64.6(4) .
C29 O4 C30 C31 180.0(3) .
K1 O4 C30 C31 -39.8(3) .
C32 O5 C31 C30 177.1(3) .
K1 O5 C31 C30 -57.9(3) .
O4 C30 C31 O5 66.3(4) .
C31 O5 C32 C33 179.8(3) .
K1 O5 C32 C33 55.5(3) .
C34 O6 C33 C32 175.3(3) .
K1 O6 C33 C32 46.7(4) .
O5 C32 C33 O6 -69.9(4) .
C33 O6 C34 C35 -178.2(3) .
K1 O6 C34 C35 -48.3(3) .
C24 O1 C35 C34 175.4(3) .
K1 O1 C35 C34 -52.4(3) .
O6 C34 C35 O1 68.3(4) .
C39 O7 C36 C37 -13.3(6) .
K1 O7 C36 C37 154.3(4) .
O7 C36 C37 C38 27.4(6) .
C36 C37 C38 C39 -30.9(5) .
C36 O7 C39 C38 -7.1(6) .
K1 O7 C39 C38 -172.9(3) .
C37 C38 C39 O7 23.9(5) .
C45 C40 C41 C42 -8.9(12) .
C40 C41 C42 C43 3.9(13) .
C41 C42 C43 C44 3.7(12) .
C42 C43 C44 C45 -6.3(11) .
C41 C40 C45 C44 6.0(10) .
C43 C44 C45 C40 1.1(10) .
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 0.366 0.799 0.802 10 0 ' '
2 0.425 0.787 0.622 11 0 ' '
3 0.574 0.213 0.377 11 0 ' '
4 0.634 0.201 0.198 10 0 ' '
