#------------------------------------------------------------------------------
#$Date: 2022-06-28 00:53:14 +0300 (Tue, 28 Jun 2022) $
#$Revision: 276294 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/02/7130290.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_7130290
loop_
_publ_author_name
'Sun, Xiaofei'
'Münzfeld, Luca'
'Jin, Da'
'Hauser, Adrian'
'Roesky, Peter W.'
_publ_section_title
;
 Silole and germole complexes of lanthanum and cerium
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC02810G
_journal_year                    2022
_chemical_formula_moiety         'C40 H56 Ce2 Ge K2 O Si2, 0.75(C4 H8 O)'
_chemical_formula_sum            'C44 H64 Ce2 Ge K2 O2 Si2'
_chemical_formula_weight         1112.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-10-01
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6405)
;
_audit_update_record
;
2022-05-17 deposited with the CCDC.	2022-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.258(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.9801(7)
_cell_length_b                   23.8817(16)
_cell_length_c                   31.570(3)
_cell_measurement_reflns_used    24575
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.31
_cell_volume                     9728.0(13)
_computing_cell_refinement
;
X-Area Recipe 1.34.0.0 (STOE, 2019)
;
_computing_data_collection
;
X-Area Pilatus3_SV 1.31.154.0 (STOE, 2019)
;
_computing_data_reduction
;
X-Area Integrate 1.77.0.0 (STOE, 2019)
X-Area LANA 1.77.1.0 (STOE, 2019)
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material
;
STOE & Cie GmbH, X-Area, software package for collecting single-crystal or
multi-domain crystal data on STOE area-detector diffractometers, for image 
processing, for the correction and scaling of reflection intensities and 
for outlier rejection, version 1.88, Darmstadt 2019
;
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 Pilatus200K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            'DECTRIS PILATUS 200K'
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.802
_diffrn_measurement_details
;
 1014 frames, detector distance = 140 mm
;
_diffrn_measurement_device       'Eulerian 4-circle diffractometer'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.802
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            25797
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.802
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.419
_diffrn_reflns_theta_min         2.313
_diffrn_source                   'Mo Genix 3D HF'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    2.707
_exptl_absorpt_correction_T_max  0.8022
_exptl_absorpt_correction_T_min  0.4924
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270. Afterwards scaling of
reflection intensities was performed within STOE LANA. J. Koziskova, F. Hahn,
J. Richter, J. Kozisek, Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136-140.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4464
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.271
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         9825
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0458P)²+1.2612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8048
_reflns_number_total             9825
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc02810g2.cif
_cod_data_source_block           lmmxf248
_cod_original_cell_volume        9727.9(12)
_cod_database_code               7130290
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.877
_shelx_estimated_absorpt_t_min   0.614
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C45B-C46B \\sim C46B-C47B \\sim C47B-C48B
 with sigma of 0.02
 O2-C44 \\sim O2-C41
 with sigma of 0.02
 C46B-C48B \\sim C45B-C47B
 with sigma of 0.04
 O3B-C45B \\sim O3B-C48B
 with sigma of 0.02
 O3A-C45A \\sim O3A-C48A
 with sigma of 0.01
 C47A-C48A \\sim C45A-C46A
 with sigma of 0.01
 O3B-C46B \\sim O3B-C47B
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
O2 \\sim C44 \\sim C42 \\sim C41: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
O3B \\sim C45B \\sim C46B \\sim C47B \\sim C48B: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
O3A \\sim C48A \\sim C47A \\sim C46A \\sim C45A: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
4. Rigid body (RIGU) restrains
 O2, C44, C42, C41
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O3B, C45B, C46B, C47B, C48B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: O2(0.5) C44(0.5) H44A(0.5) H44B(0.5) C42(0.5) H42A(0.5) H42B(0.5)
 C41(0.5) H41A(0.5) H41B(0.5) C43(0.5) H43A(0.5) H43B(0.5) C48A(0.3) H48A(0.3)
 H48B(0.3) C46A(0.3) H46A(0.3) H46B(0.3) O3A(0.3) C45A(0.3) H45A(0.3) H45B(0.3)
 C47A(0.3) H47A(0.3) H47B(0.3) O3B(0.2) C45B(0.2) H45C(0.2) H45D(0.2) C46B(0.2)
 H46C(0.2) H46D(0.2) C47B(0.2) H47C(0.2) H47D(0.2) C48B(0.2) H48C(0.2) H48D(0.2)
6.a Free rotating group:
 O2(C44,C42,C41), O3B(C45B,C46B,C47B,C48B)
6.b Secondary CH2 refined with riding coordinates:
 C37(H37A,H37B), C40(H40A,H40B), C39(H39A,H39B), C38(H38A,H38B), C44(H44A,
 H44B), C42(H42A,H42B), C41(H41A,H41B), C43(H43A,H43B), C48A(H48A,H48B),
 C46A(H46A,H46B), C45A(H45A,H45B), C47A(H47A,H47B), C45B(H45C,H45D), C46B(H46C,
 H46D), C47B(H47C,H47D), C48B(H48C,H48D)
6.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C4(H4), C32(H32), C3(H3), C1(H1), C2(H2), C8(H8), C33(H33), C34(H34),
 C31(H31), C35(H35), C28(H28), C29(H29), C36(H36), C7(H7), C6(H6), C25(H25),
 C21(H21), C24(H24), C27(H27), C26(H26), C23(H23), C30(H30), C22(H22)
6.d Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C19(H19A,H19B,H19C), C15(H15A,H15B,H15C), C13(H13A,H13B,
 H13C), C16(H16A,H16B,H16C), C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C18(H18A,
 H18B,H18C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 0.62144(2) 0.82765(2) 0.51789(2) 0.02395(6) Uani 1 1 d . . . . .
Ce2 Ce 0.26338(2) 0.56788(2) 0.67371(2) 0.03373(7) Uani 1 1 d . . . . .
Ge1 Ge 0.68805(3) 0.70390(2) 0.53476(2) 0.02661(9) Uani 1 1 d . . . . .
K2 K 0.51688(6) 0.63407(3) 0.59337(2) 0.03762(18) Uani 1 1 d . . . . .
K3 K 0.000000 0.51121(5) 0.750000 0.0422(3) Uani 1 2 d S T P . .
K1 K 0.500000 1.000000 0.500000 0.0449(3) Uani 1 2 d S . P . .
Si07 Si 0.75154(7) 0.75329(4) 0.63442(3) 0.0329(2) Uani 1 1 d . . . . .
Si08 Si 0.47279(8) 0.68292(4) 0.46705(3) 0.0346(2) Uani 1 1 d . . . . .
O1 O 0.6501(2) 0.54927(11) 0.59114(8) 0.0426(6) Uani 1 1 d . . . . .
C12 C 0.5428(2) 0.71697(14) 0.51411(10) 0.0272(7) Uani 1 1 d . . . . .
C5 C 0.4351(3) 0.87886(15) 0.49557(11) 0.0315(7) Uani 1 1 d . . . . .
H5 H 0.367952 0.863346 0.488751 0.038 Uiso 1 1 calc R U . . .
C4 C 0.4571(3) 0.89108(14) 0.53944(11) 0.0314(7) Uani 1 1 d . . . . .
H4 H 0.398880 0.885111 0.554696 0.038 Uiso 1 1 calc R U . . .
C32 C 0.0500(3) 0.57212(16) 0.66633(11) 0.0368(8) Uani 1 1 d . . . . .
H32 H 0.000651 0.587317 0.644989 0.044 Uiso 1 1 calc R U . . .
C10 C 0.5538(2) 0.76170(14) 0.58320(10) 0.0279(7) Uani 1 1 d . . . . .
C3 C 0.5445(3) 0.90998(15) 0.56606(11) 0.0335(8) Uani 1 1 d . . . . .
H3 H 0.532987 0.910418 0.595263 0.040 Uiso 1 1 calc R U . . .
C11 C 0.4911(2) 0.74579(14) 0.54560(10) 0.0284(7) Uani 1 1 d . . . . .
C1 C 0.6972(3) 0.93614(14) 0.52322(11) 0.0306(7) Uani 1 1 d . . . . .
H1 H 0.764487 0.951498 0.529898 0.037 Uiso 1 1 calc R U . . .
C2 C 0.6448(3) 0.92838(14) 0.55966(11) 0.0323(8) Uani 1 1 d . . . . .
H2 H 0.686017 0.937531 0.585457 0.039 Uiso 1 1 calc R U . . .
C9 C 0.6614(2) 0.74672(14) 0.58525(10) 0.0280(7) Uani 1 1 d . . . . .
C8 C 0.6730(3) 0.92646(14) 0.47930(10) 0.0305(7) Uani 1 1 d . . . . .
H8 H 0.727697 0.937499 0.463429 0.037 Uiso 1 1 calc R U . . .
C20 C 0.3747(2) 0.75379(15) 0.54141(11) 0.0330(8) Uani 1 1 d . . . . .
H20A H 0.347735 0.754339 0.511175 0.049 Uiso 1 1 calc R U . . .
H20B H 0.358224 0.789319 0.554669 0.049 Uiso 1 1 calc R U . . .
H20C H 0.342673 0.722875 0.555657 0.049 Uiso 1 1 calc R U . . .
C33 C 0.0746(3) 0.51600(16) 0.65810(10) 0.0337(8) Uani 1 1 d . . . . .
H33 H 0.037695 0.502350 0.632533 0.040 Uiso 1 1 calc R U . . .
C34 C 0.1406(3) 0.47533(16) 0.67866(11) 0.0364(8) Uani 1 1 d . . . . .
H34 H 0.137602 0.440690 0.663792 0.044 Uiso 1 1 calc R U . . .
C19 C 0.5065(3) 0.78790(15) 0.62041(10) 0.0335(8) Uani 1 1 d . . . . .
H19A H 0.447893 0.811655 0.609610 0.050 Uiso 1 1 calc R U . . .
H19B H 0.558828 0.810656 0.637240 0.050 Uiso 1 1 calc R U . . .
H19C H 0.482268 0.758285 0.638396 0.050 Uiso 1 1 calc R U . . .
C31 C 0.0811(3) 0.61080(17) 0.69849(12) 0.0411(9) Uani 1 1 d . . . . .
H31 H 0.046738 0.645810 0.694331 0.049 Uiso 1 1 calc R U . . .
C35 C 0.2105(3) 0.47396(16) 0.71633(11) 0.0363(8) Uani 1 1 d . . . . .
H35 H 0.243005 0.438535 0.721056 0.044 Uiso 1 1 calc R U . . .
C28 C 0.4760(3) 0.5596(3) 0.67675(15) 0.0621(15) Uani 1 1 d . . . . .
H28 H 0.525409 0.541406 0.696538 0.075 Uiso 1 1 calc R U . . .
C15 C 0.7729(3) 0.82701(17) 0.65450(13) 0.0438(9) Uani 1 1 d . . . . .
H15A H 0.791222 0.850987 0.631263 0.066 Uiso 1 1 calc R U . . .
H15B H 0.829335 0.827441 0.677801 0.066 Uiso 1 1 calc R U . . .
H15C H 0.709281 0.841010 0.664888 0.066 Uiso 1 1 calc R U . . .
C29 C 0.2179(3) 0.56950(18) 0.75589(11) 0.0432(10) Uani 1 1 d . . . . .
H29 H 0.255424 0.583896 0.781056 0.052 Uiso 1 1 calc R U . . .
C36 C 0.2430(3) 0.51342(18) 0.74866(11) 0.0410(9) Uani 1 1 d . . . . .
H36 H 0.292688 0.498642 0.770078 0.049 Uiso 1 1 calc R U . . .
C7 C 0.5886(3) 0.90466(14) 0.45317(10) 0.0304(7) Uani 1 1 d . . . . .
H7 H 0.600998 0.903201 0.424081 0.036 Uiso 1 1 calc R U . . .
C6 C 0.4900(3) 0.88442(15) 0.45954(11) 0.0347(8) Uani 1 1 d . . . . .
H6 H 0.451740 0.871635 0.434011 0.042 Uiso 1 1 calc R U . . .
C25 C 0.3017(3) 0.57365(18) 0.58985(11) 0.0418(9) Uani 1 1 d . . . . .
H25 H 0.261880 0.562987 0.564071 0.050 Uiso 1 1 calc R U . . .
C13 C 0.8805(3) 0.72242(18) 0.62614(14) 0.0473(10) Uani 1 1 d . . . . .
H13A H 0.875881 0.681475 0.626656 0.071 Uiso 1 1 calc R U . . .
H13B H 0.932677 0.735052 0.648905 0.071 Uiso 1 1 calc R U . . .
H13C H 0.900362 0.734597 0.598517 0.071 Uiso 1 1 calc R U . . .
C21 C 0.4584(3) 0.6157(3) 0.68803(12) 0.0596(14) Uani 1 1 d . . . . .
H21 H 0.500492 0.627020 0.713073 0.072 Uiso 1 1 calc R U . . .
C16 C 0.5672(3) 0.64535(18) 0.43618(12) 0.0472(10) Uani 1 1 d . . . . .
H16A H 0.621364 0.671457 0.429427 0.071 Uiso 1 1 calc R U . . .
H16B H 0.530813 0.630624 0.409687 0.071 Uiso 1 1 calc R U . . .
H16C H 0.598867 0.614343 0.453288 0.071 Uiso 1 1 calc R U . . .
C14 C 0.7027(3) 0.71215(18) 0.67915(12) 0.0482(10) Uani 1 1 d . . . . .
H14A H 0.632721 0.724749 0.683338 0.072 Uiso 1 1 calc R U . . .
H14B H 0.749034 0.718095 0.705419 0.072 Uiso 1 1 calc R U . . .
H14C H 0.701122 0.672226 0.671931 0.072 Uiso 1 1 calc R U . . .
C24 C 0.2823(3) 0.62862(18) 0.60120(12) 0.0407(9) Uani 1 1 d . . . . .
H24 H 0.232179 0.646344 0.581448 0.049 Uiso 1 1 calc R U . . .
C27 C 0.4374(3) 0.5244(2) 0.64313(15) 0.0533(11) Uani 1 1 d . . . . .
H27 H 0.467341 0.488078 0.645431 0.064 Uiso 1 1 calc R U . . .
C26 C 0.3658(3) 0.52993(18) 0.60715(13) 0.0458(10) Uani 1 1 d . . . . .
H26 H 0.358600 0.496699 0.590547 0.055 Uiso 1 1 calc R U . . .
C23 C 0.3191(3) 0.66405(17) 0.63488(13) 0.0456(10) Uani 1 1 d . . . . .
H23 H 0.286889 0.699813 0.633077 0.055 Uiso 1 1 calc R U . . .
C37 C 0.6398(3) 0.49139(17) 0.57950(12) 0.0448(9) Uani 1 1 d . . . . .
H37A H 0.668109 0.484566 0.552077 0.054 Uiso 1 1 calc R U . . .
H37B H 0.566071 0.480015 0.576581 0.054 Uiso 1 1 calc R U . . .
C17 C 0.3935(3) 0.73045(19) 0.42870(12) 0.0449(9) Uani 1 1 d . . . . .
H17A H 0.331696 0.742773 0.441350 0.067 Uiso 1 1 calc R U . . .
H17B H 0.372574 0.710178 0.402163 0.067 Uiso 1 1 calc R U . . .
H17C H 0.435066 0.763160 0.422597 0.067 Uiso 1 1 calc R U . . .
C40 C 0.7267(3) 0.5544(2) 0.62773(13) 0.0538(11) Uani 1 1 d . . . . .
H40A H 0.692758 0.561108 0.653867 0.065 Uiso 1 1 calc R U . . .
H40B H 0.774307 0.585902 0.623854 0.065 Uiso 1 1 calc R U . . .
C30 C 0.1514(3) 0.60957(18) 0.73538(12) 0.0452(9) Uani 1 1 d . . . . .
H30 H 0.154748 0.644363 0.750059 0.054 Uiso 1 1 calc R U . . .
C22 C 0.3928(4) 0.6587(2) 0.67066(13) 0.0533(12) Uani 1 1 d . . . . .
H22 H 0.400027 0.692152 0.687050 0.064 Uiso 1 1 calc R U . . .
C18 C 0.3808(3) 0.62892(19) 0.48523(14) 0.0550(11) Uani 1 1 d . . . . .
H18A H 0.420536 0.598353 0.499842 0.083 Uiso 1 1 calc R U . . .
H18B H 0.337302 0.614025 0.460448 0.083 Uiso 1 1 calc R U . . .
H18C H 0.336690 0.646364 0.504818 0.083 Uiso 1 1 calc R U . . .
C39 C 0.7847(3) 0.5002(2) 0.63099(15) 0.0604(12) Uani 1 1 d . . . . .
H39A H 0.812710 0.492075 0.660780 0.072 Uiso 1 1 calc R U . . .
H39B H 0.842140 0.500233 0.612763 0.072 Uiso 1 1 calc R U . . .
C38 C 0.7006(4) 0.4590(2) 0.61493(15) 0.0643(13) Uani 1 1 d . . . . .
H38A H 0.730470 0.424380 0.604042 0.077 Uiso 1 1 calc R U . . .
H38B H 0.656785 0.449050 0.637593 0.077 Uiso 1 1 calc R U . . .
O2 O -0.0392(5) 0.4016(3) 0.7288(2) 0.079(2) Uani 0.5 1 d DG U P A -1
C44 C 0.0010(8) 0.3661(4) 0.7634(3) 0.116(5) Uani 0.5 1 d DG U P A -1
H44A H -0.033980 0.372938 0.789287 0.139 Uiso 0.5 1 calc R U P A -1
H44B H 0.076760 0.370887 0.770342 0.139 Uiso 0.5 1 calc R U P A -1
C42 C -0.1354(8) 0.3168(3) 0.7229(3) 0.085(3) Uani 0.5 1 d G U P A -1
H42A H -0.186476 0.313159 0.743874 0.102 Uiso 0.5 1 calc R U P A -1
H42B H -0.153835 0.290381 0.699136 0.102 Uiso 0.5 1 calc R U P A -1
C41 C -0.1308(5) 0.3771(3) 0.7067(2) 0.073(3) Uani 0.5 1 d DG U P A -1
H41A H -0.126910 0.377465 0.675526 0.088 Uiso 0.5 1 calc R U P A -1
H41B H -0.193166 0.398145 0.712781 0.088 Uiso 0.5 1 calc R U P A -1
C43 C -0.0269(11) 0.3065(5) 0.7435(6) 0.078(5) Uani 0.5 1 d . . P A -1
H43A H 0.020296 0.295890 0.722228 0.093 Uiso 0.5 1 calc R U P A -1
H43B H -0.025259 0.277180 0.765718 0.093 Uiso 0.5 1 calc R U P A -1
C48A C -0.486(2) 0.4178(8) 0.7419(8) 0.088(4) Uani 0.3 1 d D U P B -2
H48A H -0.544561 0.438140 0.726366 0.105 Uiso 0.3 1 calc R U P B -2
H48B H -0.455528 0.441824 0.765631 0.105 Uiso 0.3 1 calc R U P B -2
C46A C -0.4616(15) 0.3223(10) 0.7333(6) 0.084(4) Uani 0.3 1 d D U P B -2
H46A H -0.401084 0.307577 0.751729 0.100 Uiso 0.3 1 calc R U P B -2
H46B H -0.507132 0.290466 0.723733 0.100 Uiso 0.3 1 calc R U P B -2
O3A O -0.4080(10) 0.4070(6) 0.7133(4) 0.089(3) Uani 0.3 1 d D U P B -2
C45A C -0.4270(15) 0.3513(8) 0.6962(6) 0.079(4) Uani 0.3 1 d D U P B -2
H45A H -0.363047 0.334268 0.687464 0.095 Uiso 0.3 1 calc R U P B -2
H45B H -0.481487 0.351367 0.671729 0.095 Uiso 0.3 1 calc R U P B -2
C47A C -0.5227(16) 0.3654(9) 0.7590(7) 0.084(4) Uani 0.3 1 d D U P B -2
H47A H -0.598683 0.361076 0.752577 0.101 Uiso 0.3 1 calc R U P B -2
H47B H -0.503322 0.362192 0.790118 0.101 Uiso 0.3 1 calc R U P B -2
O3B O -0.3589(19) 0.2735(8) 0.7040(9) 0.140(9) Uani 0.2 1 d DG U P C -3
C45B C -0.4398(16) 0.3141(12) 0.7060(13) 0.166(12) Uani 0.2 1 d DG U P C -3
H45C H -0.484696 0.303730 0.728128 0.199 Uiso 0.2 1 calc R U P C -3
H45D H -0.483142 0.316667 0.678198 0.199 Uiso 0.2 1 calc R U P C -3
C46B C -0.386(3) 0.3701(10) 0.7169(15) 0.151(12) Uani 0.2 1 d DG U P C -3
H46C H -0.371869 0.375392 0.748156 0.181 Uiso 0.2 1 calc R U P C -3
H46D H -0.427096 0.402031 0.704446 0.181 Uiso 0.2 1 calc R U P C -3
C47B C -0.285(2) 0.3633(9) 0.6963(13) 0.155(12) Uani 0.2 1 d DG U P C -3
H47C H -0.294707 0.372132 0.665532 0.186 Uiso 0.2 1 calc R U P C -3
H47D H -0.228787 0.387316 0.710417 0.186 Uiso 0.2 1 calc R U P C -3
C48B C -0.2606(16) 0.3011(10) 0.7040(11) 0.133(10) Uani 0.2 1 d DG U P C -3
H48C H -0.222135 0.285896 0.681173 0.159 Uiso 0.2 1 calc R U P C -3
H48D H -0.218190 0.295691 0.731734 0.159 Uiso 0.2 1 calc R U P C -3
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'
Ge Ge 0.1547 1.8001 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 -2 0.0320
-1 0 2 0.0250
1 -6 1 0.0940
-1 8 -2 0.1190
0 -4 -1 0.0830
1 11 3 0.0810
2 1 6 0.1100
-1 -1 -3 0.1220
3 2 -7 0.0320
2 -3 6 0.1150
-2 3 -5 0.1250
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
_geom_angle_publ_flag
Ge1 Ce1 Ge1 69.549(10) . 7_666 ?
C12 Ce1 Ge1 93.07(6) . 7_666 ?
C12 Ce1 Ge1 38.01(6) . . ?
C12 Ce1 C9 55.90(9) . . ?
C5 Ce1 Ge1 132.88(7) . 7_666 ?
C5 Ce1 Ge1 133.73(8) . . ?
C5 Ce1 C12 95.85(10) . . ?
C5 Ce1 C4 29.81(10) . . ?
C5 Ce1 C10 95.82(10) . . ?
C5 Ce1 C3 57.04(11) . . ?
C5 Ce1 C11 81.05(10) . . ?
C5 Ce1 C1 83.99(10) . . ?
C5 Ce1 C2 77.28(11) . . ?
C5 Ce1 C9 125.02(9) . . ?
C5 Ce1 C8 75.81(10) . . ?
C5 Ce1 C7 56.47(10) . . ?
C4 Ce1 Ge1 133.41(7) . . ?
C4 Ce1 Ge1 156.09(7) . 7_666 ?
C4 Ce1 C12 103.75(10) . . ?
C4 Ce1 C10 79.34(9) . . ?
C4 Ce1 C11 78.22(10) . . ?
C4 Ce1 C1 75.54(10) . . ?
C4 Ce1 C9 105.55(9) . . ?
C4 Ce1 C8 82.60(10) . . ?
C10 Ce1 Ge1 56.28(6) . . ?
C10 Ce1 Ge1 124.56(6) . 7_666 ?
C10 Ce1 C12 50.77(9) . . ?
C10 Ce1 C9 29.22(9) . . ?
C3 Ce1 Ge1 143.36(8) . 7_666 ?
C3 Ce1 Ge1 134.31(7) . . ?
C3 Ce1 C12 122.79(10) . . ?
C3 Ce1 C4 29.70(10) . . ?
C3 Ce1 C10 80.39(10) . . ?
C3 Ce1 C11 93.36(10) . . ?
C3 Ce1 C1 56.18(10) . . ?
C3 Ce1 C2 29.78(10) . . ?
C3 Ce1 C9 96.84(10) . . ?
C3 Ce1 C8 75.70(10) . . ?
C3 Ce1 C7 84.03(10) . . ?
C11 Ce1 Ge1 56.39(7) . . ?
C11 Ce1 Ge1 121.67(7) . 7_666 ?
C11 Ce1 C12 29.56(9) . . ?
C11 Ce1 C10 29.29(10) . . ?
C11 Ce1 C9 50.50(9) . . ?
C1 Ce1 Ge1 87.87(7) . 7_666 ?
C1 Ce1 Ge1 142.06(7) . . ?
C1 Ce1 C12 178.84(9) . . ?
C1 Ce1 C10 128.09(10) . . ?
C1 Ce1 C11 149.36(9) . . ?
C1 Ce1 C9 123.30(10) . . ?
C1 Ce1 C8 29.42(10) . . ?
C2 Ce1 Ge1 113.77(7) . 7_666 ?
C2 Ce1 Ge1 137.47(7) . . ?
C2 Ce1 C12 149.20(10) . . ?
C2 Ce1 C4 56.52(10) . . ?
C2 Ce1 C10 99.54(10) . . ?
C2 Ce1 C11 120.19(10) . . ?
C2 Ce1 C1 29.65(10) . . ?
C2 Ce1 C9 103.41(10) . . ?
C2 Ce1 C8 56.32(10) . . ?
C2 Ce1 C7 76.74(10) . . ?
C9 Ce1 Ge1 97.92(6) . 7_666 ?
C9 Ce1 Ge1 37.89(7) . . ?
C8 Ce1 Ge1 74.71(6) . 7_666 ?
C8 Ce1 Ge1 143.99(7) . . ?
C8 Ce1 C12 151.61(10) . . ?
C8 Ce1 C10 155.45(9) . . ?
C8 Ce1 C11 156.79(10) . . ?
C8 Ce1 C9 149.76(10) . . ?
C7 Ce1 Ge1 141.39(7) . . ?
C7 Ce1 Ge1 80.69(7) . 7_666 ?
C7 Ce1 C12 124.58(10) . . ?
C7 Ce1 C4 75.80(10) . . ?
C7 Ce1 C10 152.27(9) . . ?
C7 Ce1 C11 130.73(10) . . ?
C7 Ce1 C1 56.24(10) . . ?
C7 Ce1 C9 178.51(9) . . ?
C7 Ce1 C8 29.35(10) . . ?
C6 Ce1 Ge1 136.82(8) . . ?
C6 Ce1 Ge1 103.11(7) . 7_666 ?
C6 Ce1 C12 103.84(10) . . ?
C6 Ce1 C5 29.97(10) . . ?
C6 Ce1 C4 56.72(10) . . ?
C6 Ce1 C10 123.43(10) . . ?
C6 Ce1 C3 77.25(11) . . ?
C6 Ce1 C11 101.77(10) . . ?
C6 Ce1 C1 76.58(11) . . ?
C6 Ce1 C2 85.24(11) . . ?
C6 Ce1 C9 151.73(10) . . ?
C6 Ce1 C8 56.19(11) . . ?
C6 Ce1 C7 29.67(10) . . ?
C32 Ce2 C31 29.34(11) . . ?
C32 Ce2 C28 176.52(15) . . ?
C32 Ce2 C21 153.01(16) . . ?
C32 Ce2 C26 120.72(11) . . ?
C33 Ce2 C32 29.68(11) . . ?
C33 Ce2 C31 56.18(11) . . ?
C33 Ce2 C28 147.66(16) . . ?
C33 Ce2 C25 95.82(10) . . ?
C33 Ce2 C21 177.25(15) . . ?
C33 Ce2 C24 104.38(11) . . ?
C33 Ce2 C27 121.17(13) . . ?
C33 Ce2 C26 102.12(11) . . ?
C33 Ce2 C22 152.46(14) . . ?
C34 Ce2 C32 56.55(11) . . ?
C34 Ce2 C33 29.74(11) . . ?
C34 Ce2 C31 76.24(11) . . ?
C34 Ce2 C35 29.92(11) . . ?
C34 Ce2 C28 121.74(15) . . ?
C34 Ce2 C25 105.23(11) . . ?
C34 Ce2 C21 148.29(15) . . ?
C34 Ce2 C24 125.43(11) . . ?
C34 Ce2 C27 102.73(12) . . ?
C34 Ce2 C26 96.32(11) . . ?
C34 Ce2 C30 84.01(11) . . ?
C34 Ce2 C22 177.78(14) . . ?
C31 Ce2 C21 126.54(15) . . ?
C35 Ce2 C32 76.60(11) . . ?
C35 Ce2 C33 56.75(11) . . ?
C35 Ce2 C31 84.07(11) . . ?
C35 Ce2 C28 103.14(13) . . ?
C35 Ce2 C25 126.49(12) . . ?
C35 Ce2 C21 122.07(13) . . ?
C35 Ce2 C24 153.14(12) . . ?
C35 Ce2 C27 97.04(12) . . ?
C35 Ce2 C26 105.80(11) . . ?
C35 Ce2 C22 148.09(13) . . ?
C28 Ce2 C31 154.10(16) . . ?
C28 Ce2 C21 29.61(16) . . ?
C28 Ce2 C26 55.92(15) . . ?
C29 Ce2 C32 76.09(11) . . ?
C29 Ce2 C33 83.98(10) . . ?
C29 Ce2 C34 76.65(11) . . ?
C29 Ce2 C31 56.27(12) . . ?
C29 Ce2 C35 56.77(12) . . ?
C29 Ce2 C28 106.74(13) . . ?
C29 Ce2 C36 29.77(12) . . ?
C29 Ce2 C25 175.76(13) . . ?
C29 Ce2 C21 97.36(12) . . ?
C29 Ce2 C24 146.70(13) . . ?
C29 Ce2 C27 127.64(13) . . ?
C29 Ce2 C26 154.53(13) . . ?
C29 Ce2 C23 120.67(13) . . ?
C29 Ce2 C30 29.67(12) . . ?
C29 Ce2 C22 102.64(12) . . ?
C36 Ce2 C32 84.24(11) . . ?
C36 Ce2 C33 76.83(11) . . ?
C36 Ce2 C34 57.03(11) . . ?
C36 Ce2 C31 76.45(11) . . ?
C36 Ce2 C35 30.03(12) . . ?
C36 Ce2 C28 97.25(12) . . ?
C36 Ce2 C25 154.21(13) . . ?
C36 Ce2 C21 103.15(11) . . ?
C36 Ce2 C24 176.43(13) . . ?
C36 Ce2 C27 106.50(12) . . ?
C36 Ce2 C26 127.02(13) . . ?
C36 Ce2 C23 147.21(13) . . ?
C36 Ce2 C30 56.64(13) . . ?
C36 Ce2 C22 121.44(12) . . ?
C25 Ce2 C32 101.67(11) . . ?
C25 Ce2 C31 120.22(12) . . ?
C25 Ce2 C28 75.63(13) . . ?
C25 Ce2 C21 83.02(11) . . ?
C25 Ce2 C27 55.96(13) . . ?
C25 Ce2 C26 29.61(12) . . ?
C25 Ce2 C22 75.63(12) . . ?
C24 Ce2 C32 95.19(11) . . ?
C24 Ce2 C31 101.35(11) . . ?
C24 Ce2 C28 83.51(11) . . ?
C24 Ce2 C25 29.34(12) . . ?
C24 Ce2 C21 75.81(12) . . ?
C24 Ce2 C27 75.85(12) . . ?
C24 Ce2 C26 56.21(12) . . ?
C24 Ce2 C22 56.19(12) . . ?
C27 Ce2 C32 147.05(13) . . ?
C27 Ce2 C31 175.81(13) . . ?
C27 Ce2 C28 29.48(16) . . ?
C27 Ce2 C21 56.13(16) . . ?
C27 Ce2 C26 29.28(13) . . ?
C26 Ce2 C31 146.55(12) . . ?
C26 Ce2 C21 75.65(13) . . ?
C23 Ce2 C32 104.09(12) . . ?
C23 Ce2 C33 124.96(12) . . ?
C23 Ce2 C34 152.40(12) . . ?
C23 Ce2 C31 95.26(12) . . ?
C23 Ce2 C35 177.24(12) . . ?
C23 Ce2 C28 76.34(14) . . ?
C23 Ce2 C25 56.12(13) . . ?
C23 Ce2 C21 56.33(14) . . ?
C23 Ce2 C24 29.63(12) . . ?
C23 Ce2 C27 83.82(13) . . ?
C23 Ce2 C26 76.22(12) . . ?
C23 Ce2 C30 101.53(13) . . ?
C23 Ce2 C22 29.63(13) . . ?
C30 Ce2 C32 55.99(11) . . ?
C30 Ce2 C33 76.05(11) . . ?
C30 Ce2 C31 29.42(12) . . ?
C30 Ce2 C35 76.58(12) . . ?
C30 Ce2 C28 127.42(15) . . ?
C30 Ce2 C25 146.22(13) . . ?
C30 Ce2 C21 106.29(14) . . ?
C30 Ce2 C24 120.21(13) . . ?
C30 Ce2 C27 154.77(14) . . ?
C30 Ce2 C26 175.69(13) . . ?
C30 Ce2 C22 96.40(13) . . ?
C22 Ce2 C32 125.42(14) . . ?
C22 Ce2 C31 105.16(13) . . ?
C22 Ce2 C28 56.35(17) . . ?
C22 Ce2 C21 29.54(15) . . ?
C22 Ce2 C27 76.00(14) . . ?
C22 Ce2 C26 83.45(12) . . ?
Ce1 Ge1 Ce1 110.450(11) . 7_666 ?
Ce1 Ge1 K2 137.407(18) 7_666 . ?
Ce1 Ge1 K2 111.472(17) . . ?
C12 Ge1 Ce1 129.36(9) . 7_666 ?
C12 Ge1 Ce1 63.28(10) . . ?
C12 Ge1 K2 66.64(9) . . ?
C12 Ge1 C9 86.46(13) . . ?
C9 Ge1 Ce1 139.28(10) . 7_666 ?
C9 Ge1 Ce1 64.66(9) . . ?
C9 Ge1 K2 68.67(10) . . ?
O1 K2 Ge1 84.05(6) . . ?
O1 K2 C12 108.76(8) . . ?
O1 K2 C10 129.35(8) . . ?
O1 K2 C11 133.15(8) . . ?
O1 K2 C9 103.94(8) . . ?
O1 K2 C28 76.74(11) . . ?
O1 K2 C25 103.12(10) . . ?
O1 K2 C21 98.13(13) . . ?
O1 K2 C24 128.18(10) . . ?
O1 K2 C27 69.20(9) . . ?
O1 K2 C26 79.84(10) . . ?
O1 K2 C23 139.23(10) . . ?
O1 K2 C22 123.69(11) . . ?
C12 K2 Ge1 33.61(6) . . ?
C12 K2 C9 48.28(8) . . ?
C12 K2 C28 174.43(12) . . ?
C12 K2 C27 157.49(11) . . ?
C10 K2 Ge1 50.10(6) . . ?
C10 K2 C12 44.76(8) . . ?
C10 K2 C9 25.64(8) . . ?
C10 K2 C28 131.12(14) . . ?
C10 K2 C25 126.48(10) . . ?
C10 K2 C21 106.65(12) . . ?
C10 K2 C27 153.30(11) . . ?
C10 K2 C26 150.80(10) . . ?
C10 K2 C22 89.66(10) . . ?
C11 K2 Ge1 50.29(6) . . ?
C11 K2 C12 26.13(8) . . ?
C11 K2 C10 26.51(9) . . ?
C11 K2 C9 44.42(8) . . ?
C11 K2 C28 148.38(13) . . ?
C11 K2 C25 109.52(10) . . ?
C11 K2 C21 123.76(13) . . ?
C11 K2 C24 91.17(10) . . ?
C11 K2 C27 155.25(10) . . ?
C11 K2 C26 134.59(10) . . ?
C11 K2 C23 87.46(10) . . ?
C11 K2 C22 100.50(11) . . ?
C9 K2 Ge1 33.45(6) . . ?
C28 K2 Ge1 149.42(8) . . ?
C28 K2 C9 130.46(12) . . ?
C28 K2 C27 24.74(13) . . ?
C25 K2 Ge1 145.30(7) . . ?
C25 K2 C12 114.92(9) . . ?
C25 K2 C9 151.97(10) . . ?
C25 K2 C28 63.62(11) . . ?
C25 K2 C21 70.62(10) . . ?
C25 K2 C27 47.44(11) . . ?
C25 K2 C26 25.52(11) . . ?
C21 K2 Ge1 142.81(8) . . ?
C21 K2 C12 149.64(13) . . ?
C21 K2 C9 112.29(11) . . ?
C21 K2 C28 25.22(13) . . ?
C21 K2 C27 47.34(14) . . ?
C21 K2 C26 63.76(11) . . ?
C24 K2 Ge1 139.30(7) . . ?
C24 K2 C12 105.92(9) . . ?
C24 K2 C10 102.37(10) . . ?
C24 K2 C9 127.88(10) . . ?
C24 K2 C28 70.37(10) . . ?
C24 K2 C25 25.83(11) . . ?
C24 K2 C21 65.27(10) . . ?
C24 K2 C27 64.08(10) . . ?
C24 K2 C26 48.45(11) . . ?
C24 K2 C23 26.23(11) . . ?
C24 K2 C22 49.27(11) . . ?
C27 K2 Ge1 153.24(8) . . ?
C27 K2 C9 153.94(11) . . ?
C26 K2 Ge1 151.23(8) . . ?
C26 K2 C12 133.76(10) . . ?
C26 K2 C9 175.12(9) . . ?
C26 K2 C28 46.94(13) . . ?
C26 K2 C27 24.73(11) . . ?
C23 K2 Ge1 136.43(8) . . ?
C23 K2 C12 110.31(10) . . ?
C23 K2 C10 87.77(9) . . ?
C23 K2 C9 110.42(10) . . ?
C23 K2 C28 64.49(12) . . ?
C23 K2 C25 48.98(11) . . ?
C23 K2 C21 48.83(13) . . ?
C23 K2 C27 70.28(11) . . ?
C23 K2 C26 64.92(10) . . ?
C23 K2 C22 26.11(12) . . ?
C22 K2 Ge1 137.80(8) . . ?
C22 K2 C12 126.47(11) . . ?
C22 K2 C9 104.62(10) . . ?
C22 K2 C28 47.97(14) . . ?
C22 K2 C25 65.23(10) . . ?
C22 K2 C21 25.72(13) . . ?
C22 K2 C27 63.91(12) . . ?
C22 K2 C26 70.56(11) . . ?
K3 K3 Ce2 0(9) 2_556 2_556 ?
K3 K3 C32 0(10) 2_556 . ?
K3 K3 C32 0(10) 2_556 2_556 ?
K3 K3 C33 0(10) 2_556 . ?
K3 K3 C33 0(10) 2_556 2_556 ?
K3 K3 C34 0(10) 2_556 2_556 ?
K3 K3 C34 0(10) 2_556 . ?
K3 K3 C31 0(10) 2_556 . ?
K3 K3 C35 0(10) 2_556 . ?
K3 K3 C35 0(10) 2_556 2_556 ?
K3 K3 C29 0(10) 2_556 2_556 ?
K3 K3 C29 0(10) 2_556 . ?
K3 K3 C36 0(10) 2_556 2_556 ?
K3 K3 C36 0(10) 2_556 . ?
K3 K3 C30 0(10) 2_556 . ?
K3 K3 O2 0(10) 2_556 . ?
C32 K3 Ce2 122.52(7) . 2_556 ?
C32 K3 Ce2 35.90(6) 2_556 2_556 ?
C32 K3 C32 124.90(15) . 2_556 ?
C32 K3 C33 150.08(11) . 2_556 ?
C32 K3 C33 25.82(10) . . ?
C32 K3 C33 25.81(10) 2_556 2_556 ?
C32 K3 C33 150.08(11) 2_556 . ?
C32 K3 C34 48.71(10) 2_556 2_556 ?
C32 K3 C34 155.52(10) 2_556 . ?
C32 K3 C34 155.52(9) . 2_556 ?
C32 K3 C34 48.71(10) . . ?
C32 K3 C35 65.36(9) 2_556 2_556 ?
C32 K3 C35 132.61(9) . 2_556 ?
C32 K3 C35 65.36(9) . . ?
C32 K3 C35 132.61(9) 2_556 . ?
C32 K3 C36 71.53(9) 2_556 2_556 ?
C32 K3 C36 107.54(10) 2_556 . ?
C32 K3 C36 107.54(10) . 2_556 ?
C32 K3 C36 71.53(9) . . ?
C33 K3 Ce2 142.25(7) . 2_556 ?
C33 K3 Ce2 35.71(6) 2_556 2_556 ?
C33 K3 C33 175.85(15) . 2_556 ?
C33 K3 C34 157.03(10) 2_556 . ?
C33 K3 C34 25.69(9) . . ?
C33 K3 C34 157.04(10) . 2_556 ?
C33 K3 C34 25.69(10) 2_556 2_556 ?
C33 K3 C35 48.67(9) . . ?
C33 K3 C35 132.90(9) 2_556 . ?
C33 K3 C35 48.67(9) 2_556 2_556 ?
C33 K3 C35 132.90(9) . 2_556 ?
C33 K3 C36 65.22(9) . . ?
C33 K3 C36 65.22(9) 2_556 2_556 ?
C33 K3 C36 114.71(9) . 2_556 ?
C33 K3 C36 114.70(9) 2_556 . ?
C34 K3 Ce2 166.31(7) . 2_556 ?
C34 K3 Ce2 35.68(7) 2_556 2_556 ?
C34 K3 C34 148.61(14) . 2_556 ?
C31 K3 Ce2 111.12(7) . 2_556 ?
C31 K3 C32 25.77(10) . . ?
C31 K3 C32 101.37(11) . 2_556 ?
C31 K3 C33 48.76(10) . . ?
C31 K3 C33 127.17(11) . 2_556 ?
C31 K3 C34 65.38(10) . . ?
C31 K3 C34 145.90(10) . 2_556 ?
C31 K3 C35 137.74(10) . 2_556 ?
C31 K3 C35 71.78(10) . . ?
C31 K3 C29 48.82(10) . . ?
C31 K3 C29 89.09(11) . 2_556 ?
C31 K3 C36 112.79(11) . 2_556 ?
C31 K3 C36 65.62(10) . . ?
C31 K3 C30 25.85(10) . . ?
C35 K3 Ce2 35.71(7) 2_556 2_556 ?
C35 K3 Ce2 167.83(7) . 2_556 ?
C35 K3 C34 25.82(9) . . ?
C35 K3 C34 138.42(10) . 2_556 ?
C35 K3 C34 25.82(9) 2_556 2_556 ?
C35 K3 C34 138.42(10) 2_556 . ?
C35 K3 C35 147.35(14) . 2_556 ?
C29 K3 Ce2 123.72(8) . 2_556 ?
C29 K3 Ce2 35.27(6) 2_556 2_556 ?
C29 K3 C32 65.01(9) 2_556 2_556 ?
C29 K3 C32 65.01(10) . . ?
C29 K3 C32 90.70(10) . 2_556 ?
C29 K3 C32 90.70(10) 2_556 . ?
C29 K3 C33 107.08(9) . 2_556 ?
C29 K3 C33 107.08(9) 2_556 . ?
C29 K3 C33 70.99(9) 2_556 2_556 ?
C29 K3 C33 70.98(9) . . ?
C29 K3 C34 131.53(10) . 2_556 ?
C29 K3 C34 131.53(10) 2_556 . ?
C29 K3 C34 64.97(10) . . ?
C29 K3 C34 64.97(10) 2_556 2_556 ?
C29 K3 C35 48.67(10) 2_556 2_556 ?
C29 K3 C35 155.46(9) 2_556 . ?
C29 K3 C35 155.46(9) . 2_556 ?
C29 K3 C35 48.67(10) . . ?
C29 K3 C29 127.35(17) 2_556 . ?
C29 K3 C36 25.74(11) 2_556 2_556 ?
C29 K3 C36 152.37(12) . 2_556 ?
C29 K3 C36 25.74(11) . . ?
C29 K3 C36 152.37(12) 2_556 . ?
C36 K3 Ce2 35.63(6) 2_556 2_556 ?
C36 K3 Ce2 143.41(7) . 2_556 ?
C36 K3 C34 131.87(9) . 2_556 ?
C36 K3 C34 131.87(9) 2_556 . ?
C36 K3 C34 48.82(10) 2_556 2_556 ?
C36 K3 C34 48.82(10) . . ?
C36 K3 C35 25.94(10) 2_556 2_556 ?
C36 K3 C35 155.32(10) 2_556 . ?
C36 K3 C35 155.32(10) . 2_556 ?
C36 K3 C35 25.94(10) . . ?
C36 K3 C36 178.09(16) 2_556 . ?
C30 K3 Ce2 111.79(8) . 2_556 ?
C30 K3 C32 48.57(10) . . ?
C30 K3 C32 88.12(10) . 2_556 ?
C30 K3 C33 64.99(10) . . ?
C30 K3 C33 111.62(10) . 2_556 ?
C30 K3 C34 71.24(10) . . ?
C30 K3 C34 136.70(10) . 2_556 ?
C30 K3 C35 147.08(11) . 2_556 ?
C30 K3 C35 65.33(10) . . ?
C30 K3 C29 103.56(12) . 2_556 ?
C30 K3 C29 25.80(11) . . ?
C30 K3 C36 48.82(11) . . ?
C30 K3 C36 129.30(12) . 2_556 ?
O2 K3 Ce2 106.32(14) . 2_556 ?
O2 K3 C32 126.75(16) . 2_556 ?
O2 K3 C32 106.67(16) . . ?
O2 K3 C33 82.95(16) . . ?
O2 K3 C33 101.08(16) . 2_556 ?
O2 K3 C34 78.99(16) . 2_556 ?
O2 K3 C34 70.93(16) . . ?
O2 K3 C31 131.64(16) . . ?
O2 K3 C35 70.68(16) . 2_556 ?
O2 K3 C35 78.05(16) . . ?
O2 K3 C29 105.52(17) . 2_556 ?
O2 K3 C29 125.52(16) . . ?
O2 K3 C36 99.90(17) . . ?
O2 K3 C36 81.96(16) . 2_556 ?
O2 K3 C30 141.74(16) . . ?
K1 K1 Ce1 0(5) 5_676 5_676 ?
K1 K1 C5 0(10) 5_676 . ?
K1 K1 C5 0(10) 5_676 5_676 ?
K1 K1 C4 0(10) 5_676 5_676 ?
K1 K1 C4 0(10) 5_676 . ?
K1 K1 C3 0(10) 5_676 . ?
K1 K1 C3 0(10) 5_676 5_676 ?
K1 K1 C1 0(10) 5_676 . ?
K1 K1 C1 0(10) 5_676 5_676 ?
K1 K1 C2 0(10) 5_676 5_676 ?
K1 K1 C2 0(10) 5_676 . ?
K1 K1 C8 0(10) 5_676 5_676 ?
K1 K1 C8 0(10) 5_676 . ?
K1 K1 C7 0(10) 5_676 5_676 ?
K1 K1 C7 0(10) 5_676 . ?
K1 K1 C6 0(10) 5_676 5_676 ?
K1 K1 C6 0(10) 5_676 . ?
C5 K1 Ce1 37.43(6) 5_676 5_676 ?
C5 K1 Ce1 142.57(6) . 5_676 ?
C5 K1 C5 180.0 5_676 . ?
C5 K1 C2 68.84(9) 5_676 5_676 ?
C5 K1 C2 68.84(9) . . ?
C5 K1 C2 111.16(9) 5_676 . ?
C5 K1 C2 111.16(9) . 5_676 ?
C5 K1 C6 152.99(9) . 5_676 ?
C5 K1 C6 27.01(9) . . ?
C5 K1 C6 27.00(9) 5_676 5_676 ?
C5 K1 C6 153.00(9) 5_676 . ?
C4 K1 Ce1 142.21(6) . 5_676 ?
C4 K1 Ce1 37.79(6) 5_676 5_676 ?
C4 K1 C5 27.36(9) 5_676 5_676 ?
C4 K1 C5 152.64(9) 5_676 . ?
C4 K1 C5 27.36(9) . . ?
C4 K1 C5 152.64(9) . 5_676 ?
C4 K1 C4 180.0 . 5_676 ?
C4 K1 C3 152.69(10) . 5_676 ?
C4 K1 C3 27.31(10) . . ?
C4 K1 C3 27.31(10) 5_676 5_676 ?
C4 K1 C3 152.69(10) 5_676 . ?
C4 K1 C1 69.24(9) 5_676 5_676 ?
C4 K1 C1 110.76(9) 5_676 . ?
C4 K1 C1 69.24(9) . . ?
C4 K1 C1 110.76(9) . 5_676 ?
C4 K1 C2 128.53(9) 5_676 . ?
C4 K1 C2 51.47(9) 5_676 5_676 ?
C4 K1 C2 51.47(9) . . ?
C4 K1 C2 128.53(9) . 5_676 ?
C4 K1 C8 75.84(9) . . ?
C4 K1 C8 75.84(9) 5_676 5_676 ?
C4 K1 C8 104.16(9) 5_676 . ?
C4 K1 C8 104.16(9) . 5_676 ?
C4 K1 C7 110.99(9) 5_676 . ?
C4 K1 C7 69.01(9) 5_676 5_676 ?
C4 K1 C7 110.99(9) . 5_676 ?
C4 K1 C7 69.01(9) . . ?
C4 K1 C6 128.48(9) . 5_676 ?
C4 K1 C6 51.52(9) . . ?
C4 K1 C6 51.52(9) 5_676 5_676 ?
C4 K1 C6 128.48(9) 5_676 . ?
C3 K1 Ce1 37.54(6) 5_676 5_676 ?
C3 K1 Ce1 142.46(6) . 5_676 ?
C3 K1 C5 128.53(9) 5_676 . ?
C3 K1 C5 51.47(9) 5_676 5_676 ?
C3 K1 C5 51.47(9) . . ?
C3 K1 C5 128.53(9) . 5_676 ?
C3 K1 C3 180.0 . 5_676 ?
C3 K1 C2 26.95(9) . . ?
C3 K1 C2 26.95(9) 5_676 5_676 ?
C3 K1 C2 153.04(9) 5_676 . ?
C3 K1 C2 153.05(9) . 5_676 ?
C3 K1 C7 104.76(9) 5_676 . ?
C3 K1 C7 75.23(9) 5_676 5_676 ?
C3 K1 C7 104.77(9) . 5_676 ?
C3 K1 C7 75.24(9) . . ?
C3 K1 C6 68.79(9) 5_676 5_676 ?
C3 K1 C6 111.21(9) 5_676 . ?
C3 K1 C6 111.21(9) . 5_676 ?
C3 K1 C6 68.79(9) . . ?
C1 K1 Ce1 141.91(7) . 5_676 ?
C1 K1 Ce1 38.10(7) 5_676 5_676 ?
C1 K1 C5 104.48(9) . 5_676 ?
C1 K1 C5 75.52(9) 5_676 5_676 ?
C1 K1 C5 104.48(9) 5_676 . ?
C1 K1 C5 75.52(9) . . ?
C1 K1 C3 51.17(9) 5_676 5_676 ?
C1 K1 C3 51.18(9) . . ?
C1 K1 C3 128.82(9) . 5_676 ?
C1 K1 C3 128.83(9) 5_676 . ?
C1 K1 C1 180.0 . 5_676 ?
C1 K1 C2 152.98(9) . 5_676 ?
C1 K1 C2 27.01(9) 5_676 5_676 ?
C1 K1 C2 152.99(9) 5_676 . ?
C1 K1 C2 27.02(9) . . ?
C1 K1 C7 51.27(9) . . ?
C1 K1 C7 51.27(9) 5_676 5_676 ?
C1 K1 C7 128.73(9) 5_676 . ?
C1 K1 C7 128.73(9) . 5_676 ?
C1 K1 C6 68.72(9) . . ?
C1 K1 C6 111.27(9) 5_676 . ?
C1 K1 C6 68.72(9) 5_676 5_676 ?
C1 K1 C6 111.28(9) . 5_676 ?
C2 K1 Ce1 142.27(6) . 5_676 ?
C2 K1 Ce1 37.73(6) 5_676 5_676 ?
C2 K1 C2 180.0 5_676 . ?
C8 K1 Ce1 141.96(7) . 5_676 ?
C8 K1 Ce1 38.04(7) 5_676 5_676 ?
C8 K1 C5 68.73(9) . . ?
C8 K1 C5 111.27(9) 5_676 . ?
C8 K1 C5 111.27(9) . 5_676 ?
C8 K1 C5 68.73(9) 5_676 5_676 ?
C8 K1 C3 68.80(9) . . ?
C8 K1 C3 111.20(9) . 5_676 ?
C8 K1 C3 68.80(9) 5_676 5_676 ?
C8 K1 C3 111.20(9) 5_676 . ?
C8 K1 C1 27.22(9) . . ?
C8 K1 C1 27.22(9) 5_676 5_676 ?
C8 K1 C1 152.78(9) . 5_676 ?
C8 K1 C1 152.79(9) 5_676 . ?
C8 K1 C2 51.25(9) . . ?
C8 K1 C2 128.75(9) . 5_676 ?
C8 K1 C2 51.25(9) 5_676 5_676 ?
C8 K1 C2 128.75(9) 5_676 . ?
C8 K1 C8 180.00(10) 5_676 . ?
C8 K1 C7 153.01(9) . 5_676 ?
C8 K1 C7 26.99(9) . . ?
C8 K1 C7 26.99(9) 5_676 5_676 ?
C8 K1 C7 153.01(9) 5_676 . ?
C8 K1 C6 51.01(9) . . ?
C8 K1 C6 51.01(9) 5_676 5_676 ?
C8 K1 C6 129.00(10) . 5_676 ?
C8 K1 C6 128.99(10) 5_676 . ?
C7 K1 Ce1 142.30(6) . 5_676 ?
C7 K1 Ce1 37.70(6) 5_676 5_676 ?
C7 K1 C5 129.00(9) 5_676 . ?
C7 K1 C5 51.00(9) 5_676 5_676 ?
C7 K1 C5 129.00(9) . 5_676 ?
C7 K1 C5 51.00(9) . . ?
C7 K1 C2 111.40(9) 5_676 . ?
C7 K1 C2 111.40(9) . 5_676 ?
C7 K1 C2 68.60(9) . . ?
C7 K1 C2 68.60(9) 5_676 5_676 ?
C7 K1 C7 180.00(11) 5_676 . ?
C7 K1 C6 153.19(9) 5_676 . ?
C7 K1 C6 153.19(9) . 5_676 ?
C7 K1 C6 26.81(9) 5_676 5_676 ?
C7 K1 C6 26.81(9) . . ?
C6 K1 Ce1 37.46(6) 5_676 5_676 ?
C6 K1 Ce1 142.54(6) . 5_676 ?
C6 K1 C2 75.19(9) 5_676 5_676 ?
C6 K1 C2 75.19(9) . . ?
C6 K1 C2 104.81(9) . 5_676 ?
C6 K1 C2 104.81(9) 5_676 . ?
C6 K1 C6 180.0 5_676 . ?
C9 Si07 C15 114.80(16) . . ?
C9 Si07 C13 110.09(17) . . ?
C9 Si07 C14 110.59(18) . . ?
C15 Si07 C14 106.52(19) . . ?
C13 Si07 C15 108.31(19) . . ?
C13 Si07 C14 106.12(19) . . ?
C12 Si08 C16 109.71(17) . . ?
C12 Si08 C17 116.06(17) . . ?
C12 Si08 C18 109.19(17) . . ?
C16 Si08 C17 107.25(17) . . ?
C16 Si08 C18 107.6(2) . . ?
C17 Si08 C18 106.7(2) . . ?
C37 O1 K2 134.2(2) . . ?
C37 O1 C40 108.8(3) . . ?
C40 O1 K2 107.8(2) . . ?
Ce1 C12 K2 127.29(11) . . ?
Ge1 C12 Ce1 78.72(11) . . ?
Ge1 C12 K2 79.75(10) . . ?
Si08 C12 Ce1 126.11(15) . . ?
Si08 C12 Ge1 124.87(17) . . ?
Si08 C12 K2 105.64(13) . . ?
C11 C12 Ce1 73.54(19) . . ?
C11 C12 Ge1 110.7(2) . . ?
C11 C12 K2 70.23(17) . . ?
C11 C12 Si08 122.9(2) . . ?
Ce1 C5 K1 100.52(11) . . ?
Ce1 C5 K1 100.52(11) . 5_676 ?
Ce1 C5 H5 130.4 . . ?
K1 C5 K1 0.0 5_676 . ?
K1 C5 H5 129.1 5_676 . ?
K1 C5 H5 129.1 . . ?
C4 C5 Ce1 76.19(18) . . ?
C4 C5 K1 74.4(2) . 5_676 ?
C4 C5 K1 74.4(2) . . ?
C4 C5 H5 112.6 . . ?
C6 C5 Ce1 74.91(19) . . ?
C6 C5 K1 77.5(2) . 5_676 ?
C6 C5 K1 77.5(2) . . ?
C6 C5 H5 112.6 . . ?
C6 C5 C4 134.7(3) . . ?
Ce1 C4 K1 101.09(10) . 5_676 ?
Ce1 C4 K1 101.09(10) . . ?
Ce1 C4 H4 136.1 . . ?
K1 C4 K1 0.0 5_676 . ?
K1 C4 H4 122.8 5_676 . ?
K1 C4 H4 122.8 . . ?
C5 C4 Ce1 73.99(18) . . ?
C5 C4 K1 78.3(2) . 5_676 ?
C5 C4 K1 78.3(2) . . ?
C5 C4 H4 112.3 . . ?
C3 C4 Ce1 74.31(18) . . ?
C3 C4 K1 78.1(2) . 5_676 ?
C3 C4 K1 78.1(2) . . ?
C3 C4 C5 135.5(3) . . ?
C3 C4 H4 112.3 . . ?
Ce2 C32 K3 102.10(11) . . ?
Ce2 C32 K3 102.10(11) . 2_556 ?
Ce2 C32 H32 131.9 . . ?
K3 C32 K3 0.00(4) 2_556 . ?
K3 C32 H32 126.0 . . ?
K3 C32 H32 126.0 2_556 . ?
C33 C32 Ce2 74.6(2) . . ?
C33 C32 K3 77.7(2) . 2_556 ?
C33 C32 K3 77.7(2) . . ?
C33 C32 H32 112.4 . . ?
C31 C32 Ce2 75.8(2) . . ?
C31 C32 K3 76.4(2) . 2_556 ?
C31 C32 K3 76.4(2) . . ?
C31 C32 H32 112.4 . . ?
C31 C32 C33 135.2(3) . . ?
Ce1 C10 K2 133.60(11) . . ?
C11 C10 Ce1 74.48(17) . . ?
C11 C10 K2 75.07(19) . . ?
C11 C10 C9 116.0(3) . . ?
C11 C10 C19 121.0(3) . . ?
C9 C10 Ce1 78.02(17) . . ?
C9 C10 K2 84.91(19) . . ?
C9 C10 C19 122.7(3) . . ?
C19 C10 Ce1 121.4(2) . . ?
C19 C10 K2 104.1(2) . . ?
Ce1 C3 K1 100.50(10) . . ?
Ce1 C3 K1 100.50(10) . 5_676 ?
Ce1 C3 H3 130.7 . . ?
K1 C3 K1 0.0 5_676 . ?
K1 C3 H3 128.8 5_676 . ?
K1 C3 H3 128.8 . . ?
C4 C3 Ce1 75.99(19) . . ?
C4 C3 K1 74.6(2) . 5_676 ?
C4 C3 K1 74.6(2) . . ?
C4 C3 H3 112.4 . . ?
C2 C3 Ce1 75.27(18) . . ?
C2 C3 K1 77.8(2) . . ?
C2 C3 K1 77.8(2) . 5_676 ?
C2 C3 C4 135.2(3) . . ?
C2 C3 H3 112.4 . . ?
Ce1 C11 K2 136.67(11) . . ?
C12 C11 Ce1 76.90(18) . . ?
C12 C11 K2 83.64(19) . . ?
C12 C11 C20 122.5(3) . . ?
C10 C11 Ce1 76.23(18) . . ?
C10 C11 K2 78.42(18) . . ?
C10 C11 C12 116.1(3) . . ?
C10 C11 C20 121.1(3) . . ?
C20 C11 Ce1 121.2(2) . . ?
C20 C11 K2 102.0(2) . . ?
Ce1 C1 K1 99.96(10) . 5_676 ?
Ce1 C1 K1 99.96(10) . . ?
Ce1 C1 H1 133.3 . . ?
K1 C1 K1 0.0 5_676 . ?
K1 C1 H1 126.7 5_676 . ?
K1 C1 H1 126.7 . . ?
C2 C1 Ce1 74.17(19) . . ?
C2 C1 K1 78.0(2) . 5_676 ?
C2 C1 K1 78.0(2) . . ?
C2 C1 H1 112.5 . . ?
C8 C1 Ce1 75.3(2) . . ?
C8 C1 K1 75.53(19) . . ?
C8 C1 K1 75.53(19) . 5_676 ?
C8 C1 H1 112.5 . . ?
C8 C1 C2 134.9(3) . . ?
Ce1 C2 K1 99.62(11) . . ?
Ce1 C2 K1 99.62(11) . 5_676 ?
Ce1 C2 H2 129.5 . . ?
K1 C2 K1 0.0 5_676 . ?
K1 C2 H2 130.9 5_676 . ?
K1 C2 H2 130.9 . . ?
C3 C2 Ce1 74.95(19) . . ?
C3 C2 K1 75.3(2) . 5_676 ?
C3 C2 K1 75.3(2) . . ?
C3 C2 C1 133.8(3) . . ?
C3 C2 H2 113.1 . . ?
C1 C2 Ce1 76.18(19) . . ?
C1 C2 K1 75.0(2) . . ?
C1 C2 K1 75.0(2) . 5_676 ?
C1 C2 H2 113.1 . . ?
Ce1 C9 K2 123.08(11) . . ?
Ge1 C9 Ce1 77.45(10) . . ?
Ge1 C9 K2 77.88(10) . . ?
Si07 C9 Ce1 127.65(16) . . ?
Si07 C9 Ge1 125.26(17) . . ?
Si07 C9 K2 108.48(13) . . ?
C10 C9 Ce1 72.76(17) . . ?
C10 C9 Ge1 110.5(2) . . ?
C10 C9 K2 69.45(18) . . ?
C10 C9 Si07 122.7(2) . . ?
Ce1 C8 K1 100.47(10) . . ?
Ce1 C8 K1 100.47(10) . 5_676 ?
Ce1 C8 H8 134.3 . . ?
K1 C8 K1 0.0 5_676 . ?
K1 C8 H8 125.2 5_676 . ?
K1 C8 H8 125.2 . . ?
C1 C8 Ce1 75.2(2) . . ?
C1 C8 K1 77.25(18) . . ?
C1 C8 K1 77.25(18) . 5_676 ?
C1 C8 H8 112.0 . . ?
C7 C8 Ce1 74.40(19) . . ?
C7 C8 K1 77.77(19) . . ?
C7 C8 K1 77.77(19) . 5_676 ?
C7 C8 C1 136.0(3) . . ?
C7 C8 H8 112.0 . . ?
C11 C20 H20A 109.5 . . ?
C11 C20 H20B 109.5 . . ?
C11 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Ce2 C33 K3 102.04(10) . 2_556 ?
Ce2 C33 K3 102.04(10) . . ?
Ce2 C33 H33 131.7 . . ?
K3 C33 K3 0.00(5) 2_556 . ?
K3 C33 H33 126.3 2_556 . ?
K3 C33 H33 126.3 . . ?
C32 C33 Ce2 75.7(2) . . ?
C32 C33 K3 76.51(19) . . ?
C32 C33 K3 76.51(19) . 2_556 ?
C32 C33 H33 112.4 . . ?
C34 C33 Ce2 75.0(2) . . ?
C34 C33 K3 77.49(19) . 2_556 ?
C34 C33 K3 77.49(19) . . ?
C34 C33 C32 135.3(3) . . ?
C34 C33 H33 112.4 . . ?
Ce2 C34 K3 101.90(11) . . ?
Ce2 C34 K3 101.90(11) . 2_556 ?
Ce2 C34 H34 131.9 . . ?
K3 C34 K3 0.0 2_556 . ?
K3 C34 H34 126.2 2_556 . ?
K3 C34 H34 126.2 . . ?
C33 C34 Ce2 75.3(2) . . ?
C33 C34 K3 76.82(19) . 2_556 ?
C33 C34 K3 76.82(19) . . ?
C33 C34 H34 112.5 . . ?
C33 C34 C35 134.9(4) . . ?
C35 C34 Ce2 75.1(2) . . ?
C35 C34 K3 77.0(2) . . ?
C35 C34 K3 77.0(2) . 2_556 ?
C35 C34 H34 112.5 . . ?
C10 C19 H19A 109.5 . . ?
C10 C19 H19B 109.5 . . ?
C10 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Ce2 C31 K3 102.23(12) . 2_556 ?
Ce2 C31 K3 102.23(12) . . ?
Ce2 C31 H31 133.6 . . ?
K3 C31 K3 0.00(3) 2_556 . ?
K3 C31 H31 124.2 . . ?
K3 C31 H31 124.2 2_556 . ?
C32 C31 Ce2 74.8(2) . . ?
C32 C31 K3 77.8(2) . 2_556 ?
C32 C31 K3 77.8(2) . . ?
C32 C31 H31 112.8 . . ?
C32 C31 C30 134.5(4) . . ?
C30 C31 Ce2 74.2(2) . . ?
C30 C31 K3 77.1(2) . . ?
C30 C31 K3 77.1(2) . 2_556 ?
C30 C31 H31 112.8 . . ?
Ce2 C35 K3 101.91(12) . . ?
Ce2 C35 K3 101.91(12) . 2_556 ?
Ce2 C35 H35 132.4 . . ?
K3 C35 K3 0.0 2_556 . ?
K3 C35 H35 125.6 2_556 . ?
K3 C35 H35 125.6 . . ?
C34 C35 Ce2 75.0(2) . . ?
C34 C35 K3 77.18(19) . . ?
C34 C35 K3 77.18(19) . 2_556 ?
C34 C35 H35 112.7 . . ?
C34 C35 C36 134.6(4) . . ?
C36 C35 Ce2 74.9(2) . . ?
C36 C35 K3 76.8(2) . . ?
C36 C35 K3 76.8(2) . 2_556 ?
C36 C35 H35 112.7 . . ?
Ce2 C28 K2 100.52(13) . . ?
Ce2 C28 H28 131.1 . . ?
K2 C28 H28 128.4 . . ?
C21 C28 Ce2 75.6(2) . . ?
C21 C28 K2 74.4(2) . . ?
C21 C28 H28 112.6 . . ?
C27 C28 Ce2 75.1(2) . . ?
C27 C28 K2 78.0(2) . . ?
C27 C28 H28 112.6 . . ?
C27 C28 C21 134.8(4) . . ?
Si07 C15 H15A 109.5 . . ?
Si07 C15 H15B 109.5 . . ?
Si07 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Ce2 C29 K3 102.99(11) . . ?
Ce2 C29 K3 102.99(11) . 2_556 ?
Ce2 C29 H29 131.1 . . ?
K3 C29 K3 0.00(4) 2_556 . ?
K3 C29 H29 125.9 2_556 . ?
K3 C29 H29 125.9 . . ?
C36 C29 Ce2 75.7(2) . . ?
C36 C29 K3 77.9(2) . . ?
C36 C29 K3 77.9(2) . 2_556 ?
C36 C29 H29 112.0 . . ?
C30 C29 Ce2 75.9(2) . . ?
C30 C29 K3 76.7(2) . . ?
C30 C29 K3 76.7(2) . 2_556 ?
C30 C29 H29 112.0 . . ?
C30 C29 C36 136.1(4) . . ?
Ce2 C36 K3 102.13(11) . 2_556 ?
Ce2 C36 K3 102.13(11) . . ?
Ce2 C36 H36 132.0 . . ?
K3 C36 K3 0.00(5) 2_556 . ?
K3 C36 H36 125.8 2_556 . ?
K3 C36 H36 125.8 . . ?
C35 C36 Ce2 75.12(19) . . ?
C35 C36 K3 77.2(2) . 2_556 ?
C35 C36 K3 77.2(2) . . ?
C35 C36 H36 113.0 . . ?
C29 C36 Ce2 74.5(2) . . ?
C29 C36 K3 76.3(2) . . ?
C29 C36 K3 76.3(2) . 2_556 ?
C29 C36 C35 134.0(4) . . ?
C29 C36 H36 113.0 . . ?
Ce1 C7 K1 100.23(10) . 5_676 ?
Ce1 C7 K1 100.23(10) . . ?
Ce1 C7 H7 131.7 . . ?
K1 C7 K1 0.0 5_676 . ?
K1 C7 H7 128.1 5_676 . ?
K1 C7 H7 128.1 . . ?
C8 C7 Ce1 76.25(19) . . ?
C8 C7 K1 75.24(19) . . ?
C8 C7 K1 75.24(19) . 5_676 ?
C8 C7 H7 112.3 . . ?
C8 C7 C6 135.4(3) . . ?
C6 C7 Ce1 74.49(19) . . ?
C6 C7 K1 77.7(2) . 5_676 ?
C6 C7 K1 77.7(2) . . ?
C6 C7 H7 112.3 . . ?
Ce1 C6 K1 99.94(11) . 5_676 ?
Ce1 C6 K1 99.94(11) . . ?
Ce1 C6 H6 130.0 . . ?
K1 C6 K1 0.0 5_676 . ?
K1 C6 H6 130.0 . . ?
K1 C6 H6 130.0 5_676 . ?
C5 C6 Ce1 75.12(19) . . ?
C5 C6 K1 75.5(2) . 5_676 ?
C5 C6 K1 75.5(2) . . ?
C5 C6 H6 112.9 . . ?
C7 C6 Ce1 75.84(19) . . ?
C7 C6 K1 75.5(2) . 5_676 ?
C7 C6 K1 75.5(2) . . ?
C7 C6 C5 134.1(3) . . ?
C7 C6 H6 112.9 . . ?
Ce2 C25 K2 104.05(12) . . ?
Ce2 C25 H25 132.3 . . ?
K2 C25 H25 123.6 . . ?
C24 C25 Ce2 75.1(2) . . ?
C24 C25 K2 75.1(2) . . ?
C24 C25 H25 112.1 . . ?
C24 C25 C26 135.7(4) . . ?
C26 C25 Ce2 75.6(2) . . ?
C26 C25 K2 80.8(2) . . ?
C26 C25 H25 112.1 . . ?
Si07 C13 H13A 109.5 . . ?
Si07 C13 H13B 109.5 . . ?
Si07 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Ce2 C21 K2 102.14(12) . . ?
Ce2 C21 H21 133.3 . . ?
K2 C21 H21 124.5 . . ?
C28 C21 Ce2 74.8(2) . . ?
C28 C21 K2 80.4(2) . . ?
C28 C21 H21 112.7 . . ?
C22 C21 Ce2 74.6(2) . . ?
C22 C21 K2 74.4(2) . . ?
C22 C21 C28 134.6(4) . . ?
C22 C21 H21 112.7 . . ?
Si08 C16 H16A 109.5 . . ?
Si08 C16 H16B 109.5 . . ?
Si08 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si07 C14 H14A 109.5 . . ?
Si07 C14 H14B 109.5 . . ?
Si07 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Ce2 C24 K2 105.54(12) . . ?
Ce2 C24 H24 131.8 . . ?
K2 C24 H24 122.7 . . ?
C25 C24 Ce2 75.6(2) . . ?
C25 C24 K2 79.1(2) . . ?
C25 C24 H24 112.4 . . ?
C25 C24 C23 135.1(4) . . ?
C23 C24 Ce2 75.0(2) . . ?
C23 C24 K2 77.1(2) . . ?
C23 C24 H24 112.4 . . ?
Ce2 C27 K2 100.35(13) . . ?
Ce2 C27 H27 131.4 . . ?
K2 C27 H27 128.2 . . ?
C28 C27 Ce2 75.4(2) . . ?
C28 C27 K2 77.3(2) . . ?
C28 C27 H27 112.3 . . ?
C26 C27 Ce2 75.5(2) . . ?
C26 C27 K2 75.6(2) . . ?
C26 C27 C28 135.4(4) . . ?
C26 C27 H27 112.3 . . ?
Ce2 C26 K2 101.53(13) . . ?
Ce2 C26 H26 131.9 . . ?
K2 C26 H26 126.5 . . ?
C25 C26 Ce2 74.8(2) . . ?
C25 C26 K2 73.6(2) . . ?
C25 C26 H26 112.8 . . ?
C27 C26 Ce2 75.2(2) . . ?
C27 C26 K2 79.7(2) . . ?
C27 C26 C25 134.4(4) . . ?
C27 C26 H26 112.8 . . ?
Ce2 C23 K2 105.53(14) . . ?
Ce2 C23 H23 130.2 . . ?
K2 C23 H23 124.3 . . ?
C24 C23 Ce2 75.4(2) . . ?
C24 C23 K2 76.6(2) . . ?
C24 C23 H23 112.7 . . ?
C24 C23 C22 134.6(4) . . ?
C22 C23 Ce2 75.8(2) . . ?
C22 C23 K2 78.2(2) . . ?
C22 C23 H23 112.7 . . ?
O1 C37 H37A 110.5 . . ?
O1 C37 H37B 110.5 . . ?
O1 C37 C38 106.2(3) . . ?
H37A C37 H37B 108.7 . . ?
C38 C37 H37A 110.5 . . ?
C38 C37 H37B 110.5 . . ?
Si08 C17 H17A 109.5 . . ?
Si08 C17 H17B 109.5 . . ?
Si08 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O1 C40 H40A 110.5 . . ?
O1 C40 H40B 110.5 . . ?
O1 C40 C39 106.3(3) . . ?
H40A C40 H40B 108.7 . . ?
C39 C40 H40A 110.5 . . ?
C39 C40 H40B 110.5 . . ?
Ce2 C30 K3 102.85(13) . . ?
Ce2 C30 K3 102.85(13) . 2_556 ?
Ce2 C30 H30 131.6 . . ?
K3 C30 K3 0.0 2_556 . ?
K3 C30 H30 125.5 2_556 . ?
K3 C30 H30 125.5 . . ?
C31 C30 Ce2 76.4(2) . . ?
C31 C30 K3 77.0(2) . 2_556 ?
C31 C30 K3 77.0(2) . . ?
C31 C30 H30 112.3 . . ?
C29 C30 Ce2 74.5(2) . . ?
C29 C30 K3 77.5(2) . . ?
C29 C30 K3 77.5(2) . 2_556 ?
C29 C30 C31 135.5(4) . . ?
C29 C30 H30 112.3 . . ?
Ce2 C22 K2 104.32(14) . . ?
Ce2 C22 H22 131.9 . . ?
K2 C22 H22 123.7 . . ?
C21 C22 Ce2 75.9(2) . . ?
C21 C22 K2 79.9(2) . . ?
C21 C22 H22 112.4 . . ?
C23 C22 Ce2 74.6(2) . . ?
C23 C22 K2 75.7(2) . . ?
C23 C22 C21 135.2(4) . . ?
C23 C22 H22 112.4 . . ?
Si08 C18 H18A 109.5 . . ?
Si08 C18 H18B 109.5 . . ?
Si08 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C40 C39 H39A 111.5 . . ?
C40 C39 H39B 111.5 . . ?
C40 C39 C38 101.5(4) . . ?
H39A C39 H39B 109.3 . . ?
C38 C39 H39A 111.5 . . ?
C38 C39 H39B 111.5 . . ?
C37 C38 C39 102.3(4) . . ?
C37 C38 H38A 111.3 . . ?
C37 C38 H38B 111.3 . . ?
C39 C38 H38A 111.3 . . ?
C39 C38 H38B 111.3 . . ?
H38A C38 H38B 109.2 . . ?
C44 O2 K3 109.6(4) . . ?
C44 O2 C41 110.1 . . ?
C41 O2 K3 129.1(4) . . ?
O2 C44 H44A 111.7 . . ?
O2 C44 H44B 111.7 . . ?
O2 C44 C43 100.3(6) . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44A 111.7 . . ?
C43 C44 H44B 111.7 . . ?
H42A C42 H42B 109.1 . . ?
C41 C42 H42A 111.1 . . ?
C41 C42 H42B 111.1 . . ?
C43 C42 H42A 111.1 . . ?
C43 C42 H42B 111.1 . . ?
C43 C42 C41 103.2(6) . . ?
O2 C41 C42 106.3 . . ?
O2 C41 H41A 110.5 . . ?
O2 C41 H41B 110.5 . . ?
C42 C41 H41A 110.5 . . ?
C42 C41 H41B 110.5 . . ?
H41A C41 H41B 108.7 . . ?
C44 C43 H43A 111.6 . . ?
C44 C43 H43B 111.6 . . ?
C42 C43 C44 100.8(9) . . ?
C42 C43 H43A 111.6 . . ?
C42 C43 H43B 111.6 . . ?
H43A C43 H43B 109.4 . . ?
H48A C48A H48B 108.1 . . ?
O3A C48A H48A 109.5 . . ?
O3A C48A H48B 109.5 . . ?
O3A C48A C47A 110.9(15) . . ?
C47A C48A H48A 109.5 . . ?
C47A C48A H48B 109.5 . . ?
H46A C46A H46B 108.4 . . ?
C45A C46A H46A 110.0 . . ?
C45A C46A H46B 110.0 . . ?
C45A C46A C47A 108.5(16) . . ?
C47A C46A H46A 110.0 . . ?
C47A C46A H46B 110.0 . . ?
C45A O3A C48A 107.1(16) . . ?
C46A C45A H45A 111.6 . . ?
C46A C45A H45B 111.6 . . ?
O3A C45A C46A 101.0(15) . . ?
O3A C45A H45A 111.6 . . ?
O3A C45A H45B 111.6 . . ?
H45A C45A H45B 109.4 . . ?
C48A C47A C46A 99.4(13) . . ?
C48A C47A H47A 111.9 . . ?
C48A C47A H47B 111.9 . . ?
C46A C47A H47A 111.9 . . ?
C46A C47A H47B 111.9 . . ?
H47A C47A H47B 109.6 . . ?
C48B O3B C45B 110.1 . . ?
O3B C45B H45C 110.5 . . ?
O3B C45B H45D 110.5 . . ?
O3B C45B C46B 106.3 . . ?
H45C C45B H45D 108.7 . . ?
C46B C45B H45C 110.5 . . ?
C46B C45B H45D 110.5 . . ?
C45B C46B H46C 111.4 . . ?
C45B C46B H46D 111.4 . . ?
C45B C46B C47B 101.8 . . ?
H46C C46B H46D 109.3 . . ?
C47B C46B H46C 111.4 . . ?
C47B C46B H46D 111.4 . . ?
C46B C47B H47C 111.4 . . ?
C46B C47B H47D 111.4 . . ?
H47C C47B H47D 109.3 . . ?
C48B C47B C46B 101.7 . . ?
C48B C47B H47C 111.4 . . ?
C48B C47B H47D 111.4 . . ?
O3B C48B C47B 106.3 . . ?
O3B C48B H48C 110.5 . . ?
O3B C48B H48D 110.5 . . ?
C47B C48B H48C 110.5 . . ?
C47B C48B H48D 110.5 . . ?
H48C C48B H48D 108.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ce1 Ge1 3.2158(4) 7_666 ?
Ce1 Ge1 3.1088(4) . ?
Ce1 C12 2.831(3) . ?
Ce1 C5 2.733(3) . ?
Ce1 C4 2.761(3) . ?
Ce1 C10 2.810(3) . ?
Ce1 C3 2.740(3) . ?
Ce1 C11 2.788(3) . ?
Ce1 C1 2.770(3) . ?
Ce1 C2 2.744(3) . ?
Ce1 C9 2.878(3) . ?
Ce1 C8 2.771(3) . ?
Ce1 C7 2.748(3) . ?
Ce1 C6 2.731(3) . ?
Ce2 C32 2.756(3) . ?
Ce2 C33 2.743(3) . ?
Ce2 C34 2.739(4) . ?
Ce2 C31 2.768(4) . ?
Ce2 C35 2.741(4) . ?
Ce2 C28 2.758(4) . ?
Ce2 C29 2.723(4) . ?
Ce2 C36 2.738(3) . ?
Ce2 C25 2.750(3) . ?
Ce2 C21 2.769(4) . ?
Ce2 C24 2.743(4) . ?
Ce2 C27 2.755(4) . ?
Ce2 C26 2.759(4) . ?
Ce2 C23 2.738(4) . ?
Ce2 C30 2.741(4) . ?
Ce2 C22 2.752(4) . ?
Ge1 K2 3.4695(8) . ?
Ge1 C12 1.952(3) . ?
Ge1 C9 1.956(3) . ?
K2 O1 2.669(3) . ?
K2 C12 3.237(3) . ?
K2 C10 3.107(3) . ?
K2 C11 3.065(3) . ?
K2 C9 3.306(3) . ?
K2 C28 3.268(4) . ?
K2 C25 3.135(4) . ?
K2 C21 3.193(4) . ?
K2 C24 3.085(4) . ?
K2 C27 3.278(4) . ?
K2 C26 3.226(4) . ?
K2 C23 3.091(4) . ?
K2 C22 3.123(4) . ?
K3 K3 0.000000(5) 2_556 ?
K3 C32 3.144(4) . ?
K3 C32 3.145(4) 2_556 ?
K3 C33 3.159(3) 2_556 ?
K3 C33 3.159(3) . ?
K3 C34 3.167(3) . ?
K3 C34 3.168(3) 2_556 ?
K3 C31 3.128(4) . ?
K3 C35 3.165(3) 2_556 ?
K3 C35 3.165(3) . ?
K3 C29 3.139(4) . ?
K3 C29 3.139(4) 2_556 ?
K3 C36 3.160(4) 2_556 ?
K3 C36 3.160(4) . ?
K3 C30 3.129(4) . ?
K3 O2 2.737(6) . ?
K1 K1 0.0000 5_676 ?
K1 C5 3.012(4) . ?
K1 C5 3.012(4) 5_676 ?
K1 C4 2.963(3) 5_676 ?
K1 C4 2.963(3) . ?
K1 C3 3.007(4) 5_676 ?
K1 C3 3.007(4) . ?
K1 C1 3.001(3) 5_676 ?
K1 C1 3.001(3) . ?
K1 C2 3.039(4) . ?
K1 C2 3.038(4) 5_676 ?
K1 C8 2.979(3) . ?
K1 C8 2.979(3) 5_676 ?
K1 C7 3.010(3) 5_676 ?
K1 C7 3.011(3) . ?
K1 C6 3.038(4) . ?
K1 C6 3.038(4) 5_676 ?
Si07 C9 1.846(3) . ?
Si07 C15 1.882(4) . ?
Si07 C13 1.873(4) . ?
Si07 C14 1.886(4) . ?
Si08 C12 1.844(3) . ?
Si08 C16 1.876(4) . ?
Si08 C17 1.882(4) . ?
Si08 C18 1.889(4) . ?
O1 C37 1.433(5) . ?
O1 C40 1.445(5) . ?
C12 C11 1.434(4) . ?
C5 H5 0.9500 . ?
C5 C4 1.414(5) . ?
C5 C6 1.413(5) . ?
C4 H4 0.9500 . ?
C4 C3 1.410(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.408(5) . ?
C32 C31 1.399(5) . ?
C10 C11 1.416(5) . ?
C10 C9 1.436(4) . ?
C10 C19 1.518(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.409(5) . ?
C11 C20 1.515(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.411(5) . ?
C1 C8 1.407(5) . ?
C2 H2 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.398(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C33 H33 0.9500 . ?
C33 C34 1.407(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.415(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C31 H31 0.9500 . ?
C31 C30 1.399(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.419(5) . ?
C28 H28 0.9500 . ?
C28 C21 1.412(8) . ?
C28 C27 1.402(8) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C29 H29 0.9500 . ?
C29 C36 1.403(6) . ?
C29 C30 1.399(6) . ?
C36 H36 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.403(5) . ?
C6 H6 0.9500 . ?
C25 H25 0.9500 . ?
C25 C24 1.391(6) . ?
C25 C26 1.408(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 H21 0.9500 . ?
C21 C22 1.407(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C24 H24 0.9500 . ?
C24 C23 1.401(6) . ?
C27 H27 0.9500 . ?
C27 C26 1.394(6) . ?
C26 H26 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.404(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.510(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C39 1.494(7) . ?
C30 H30 0.9500 . ?
C22 H22 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C39 C38 1.517(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
O2 C44 1.4355 . ?
O2 C41 1.4360 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C44 C43 1.583(15) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C41 1.5312 . ?
C42 C43 1.506(15) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C48A H48A 0.9900 . ?
C48A H48B 0.9900 . ?
C48A O3A 1.447(18) . ?
C48A C47A 1.47(2) . ?
C46A H46A 0.9900 . ?
C46A H46B 0.9900 . ?
C46A C45A 1.47(2) . ?
C46A C47A 1.58(3) . ?
O3A C45A 1.445(18) . ?
C45A H45A 0.9900 . ?
C45A H45B 0.9900 . ?
C47A H47A 0.9900 . ?
C47A H47B 0.9900 . ?
O3B C45B 1.4366 . ?
O3B C48B 1.4365 . ?
C45B H45C 0.9900 . ?
C45B H45D 0.9900 . ?
C45B C46B 1.5324 . ?
C46B H46C 0.9900 . ?
C46B H46D 0.9900 . ?
C46B C47B 1.5355 . ?
C47B H47C 0.9900 . ?
C47B H47D 0.9900 . ?
C47B C48B 1.5318 . ?
C48B H48C 0.9900 . ?
C48B H48D 0.9900 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ce1 C12 C11 K2 -141.03(9) . . . . ?
Ce1 C12 C11 C10 -67.3(3) . . . . ?
Ce1 C12 C11 C20 118.8(3) . . . . ?
Ce1 C5 C4 K1 105.31(8) . . . 5_676 ?
Ce1 C5 C4 K1 105.31(8) . . . . ?
Ce1 C5 C4 C3 46.1(4) . . . . ?
Ce1 C5 C6 K1 -104.68(8) . . . 5_676 ?
Ce1 C5 C6 K1 -104.68(8) . . . . ?
Ce1 C5 C6 C7 -52.4(4) . . . . ?
Ce1 C4 C3 K1 105.28(8) . . . . ?
Ce1 C4 C3 K1 105.28(8) . . . 5_676 ?
Ce1 C4 C3 C2 51.4(4) . . . . ?
Ce1 C10 C11 K2 144.56(8) . . . . ?
Ce1 C10 C11 C12 67.7(3) . . . . ?
Ce1 C10 C11 C20 -118.3(3) . . . . ?
Ce1 C10 C9 Ge1 -68.94(16) . . . . ?
Ce1 C10 C9 K2 -136.60(9) . . . . ?
Ce1 C10 C9 Si07 124.1(2) . . . . ?
Ce1 C3 C2 K1 104.46(8) . . . . ?
Ce1 C3 C2 K1 104.46(8) . . . 5_676 ?
Ce1 C3 C2 C1 53.0(4) . . . . ?
Ce1 C1 C2 K1 -104.13(8) . . . 5_676 ?
Ce1 C1 C2 K1 -104.13(8) . . . . ?
Ce1 C1 C2 C3 -52.6(4) . . . . ?
Ce1 C1 C8 K1 104.61(8) . . . 5_676 ?
Ce1 C1 C8 K1 104.61(8) . . . . ?
Ce1 C1 C8 C7 47.7(4) . . . . ?
Ce1 C8 C7 K1 104.69(7) . . . . ?
Ce1 C8 C7 K1 104.69(7) . . . 5_676 ?
Ce1 C8 C7 C6 50.2(4) . . . . ?
Ce1 C7 C6 K1 104.43(8) . . . . ?
Ce1 C7 C6 K1 104.43(8) . . . 5_676 ?
Ce1 C7 C6 C5 52.2(4) . . . . ?
Ce2 C32 C33 K3 106.42(8) . . . . ?
Ce2 C32 C33 K3 106.42(8) . . . 2_556 ?
Ce2 C32 C33 C34 50.4(4) . . . . ?
Ce2 C32 C31 K3 -106.46(9) . . . . ?
Ce2 C32 C31 K3 -106.46(9) . . . 2_556 ?
Ce2 C32 C31 C30 -48.6(4) . . . . ?
Ce2 C33 C34 K3 106.30(8) . . . . ?
Ce2 C33 C34 K3 106.30(8) . . . 2_556 ?
Ce2 C33 C34 C35 50.4(4) . . . . ?
Ce2 C34 C35 K3 106.28(9) . . . . ?
Ce2 C34 C35 K3 106.28(9) . . . 2_556 ?
Ce2 C34 C35 C36 49.8(4) . . . . ?
Ce2 C31 C30 K3 -106.89(10) . . . . ?
Ce2 C31 C30 K3 -106.89(10) . . . 2_556 ?
Ce2 C31 C30 C29 -50.3(5) . . . . ?
Ce2 C35 C36 K3 106.44(9) . . . . ?
Ce2 C35 C36 K3 106.44(9) . . . 2_556 ?
Ce2 C35 C36 C29 50.2(4) . . . . ?
Ce2 C28 C21 K2 -105.50(9) . . . . ?
Ce2 C28 C21 C22 -49.0(4) . . . . ?
Ce2 C28 C27 K2 104.44(10) . . . . ?
Ce2 C28 C27 C26 50.8(4) . . . . ?
Ce2 C29 C36 K3 -106.96(8) . . . 2_556 ?
Ce2 C29 C36 K3 -106.96(8) . . . . ?
Ce2 C29 C36 C35 -50.4(4) . . . . ?
Ce2 C29 C30 K3 107.33(9) . . . . ?
Ce2 C29 C30 K3 107.33(9) . . . 2_556 ?
Ce2 C29 C30 C31 50.9(5) . . . . ?
Ce2 C25 C24 K2 109.34(9) . . . . ?
Ce2 C25 C24 C23 50.3(4) . . . . ?
Ce2 C25 C26 K2 -107.18(9) . . . . ?
Ce2 C25 C26 C27 -50.4(4) . . . . ?
Ce2 C21 C22 K2 -107.68(10) . . . . ?
Ce2 C21 C22 C23 -50.1(5) . . . . ?
Ce2 C24 C23 K2 110.25(10) . . . . ?
Ce2 C24 C23 C22 52.2(4) . . . . ?
Ce2 C27 C26 K2 104.96(10) . . . . ?
Ce2 C27 C26 C25 50.3(4) . . . . ?
Ce2 C23 C22 K2 109.58(11) . . . . ?
Ce2 C23 C22 C21 50.5(5) . . . . ?
Ge1 C12 C11 Ce1 70.76(16) . . . . ?
Ge1 C12 C11 K2 -70.26(17) . . . . ?
Ge1 C12 C11 C10 3.5(4) . . . . ?
Ge1 C12 C11 C20 -170.4(2) . . . . ?
K2 O1 C37 C38 -132.2(3) . . . . ?
K2 O1 C40 C39 167.5(3) . . . . ?
K2 C12 C11 Ce1 141.03(9) . . . . ?
K2 C12 C11 C10 73.8(3) . . . . ?
K2 C12 C11 C20 -100.1(3) . . . . ?
K2 C10 C11 Ce1 -144.56(9) . . . . ?
K2 C10 C11 C12 -76.9(3) . . . . ?
K2 C10 C11 C20 97.1(3) . . . . ?
K2 C10 C9 Ce1 136.60(9) . . . . ?
K2 C10 C9 Ge1 67.66(16) . . . . ?
K2 C10 C9 Si07 -99.3(2) . . . . ?
K2 C28 C21 Ce2 105.50(10) . . . . ?
K2 C28 C21 C22 56.5(4) . . . . ?
K2 C28 C27 Ce2 -104.44(10) . . . . ?
K2 C28 C27 C26 -53.6(4) . . . . ?
K2 C25 C24 Ce2 -109.34(9) . . . . ?
K2 C25 C24 C23 -59.0(4) . . . . ?
K2 C25 C26 Ce2 107.18(9) . . . . ?
K2 C25 C26 C27 56.7(4) . . . . ?
K2 C21 C22 Ce2 107.68(10) . . . . ?
K2 C21 C22 C23 57.6(4) . . . . ?
K2 C24 C23 Ce2 -110.25(10) . . . . ?
K2 C24 C23 C22 -58.1(4) . . . . ?
K2 C27 C26 Ce2 -104.96(10) . . . . ?
K2 C27 C26 C25 -54.6(4) . . . . ?
K2 C23 C22 Ce2 -109.58(11) . . . . ?
K2 C23 C22 C21 -59.1(5) . . . . ?
K3 C32 C33 Ce2 -106.42(8) 2_556 . . . ?
K3 C32 C33 Ce2 -106.42(8) . . . . ?
K3 C32 C33 K3 0.000(1) . . . 2_556 ?
K3 C32 C33 K3 0.000(1) 2_556 . . . ?
K3 C32 C33 C34 -56.0(4) . . . . ?
K3 C32 C33 C34 -56.0(4) 2_556 . . . ?
K3 C32 C31 Ce2 106.46(9) . . . . ?
K3 C32 C31 Ce2 106.46(9) 2_556 . . . ?
K3 C32 C31 K3 0.000(1) 2_556 . . . ?
K3 C32 C31 K3 0.000(1) . . . 2_556 ?
K3 C32 C31 C30 57.9(4) 2_556 . . . ?
K3 C32 C31 C30 57.9(4) . . . . ?
K3 C33 C34 Ce2 -106.30(8) 2_556 . . . ?
K3 C33 C34 Ce2 -106.30(8) . . . . ?
K3 C33 C34 K3 0.000(1) . . . 2_556 ?
K3 C33 C34 K3 0.000(1) 2_556 . . . ?
K3 C33 C34 C35 -55.9(4) 2_556 . . . ?
K3 C33 C34 C35 -55.9(4) . . . . ?
K3 C34 C35 Ce2 -106.28(9) . . . . ?
K3 C34 C35 Ce2 -106.28(9) 2_556 . . . ?
K3 C34 C35 K3 0.000(1) 2_556 . . . ?
K3 C34 C35 K3 0.000(1) . . . 2_556 ?
K3 C34 C35 C36 -56.4(4) . . . . ?
K3 C34 C35 C36 -56.4(4) 2_556 . . . ?
K3 C31 C30 Ce2 106.89(10) 2_556 . . . ?
K3 C31 C30 Ce2 106.89(10) . . . . ?
K3 C31 C30 K3 0.000(0) 2_556 . . . ?
K3 C31 C30 K3 0.000(0) . . . 2_556 ?
K3 C31 C30 C29 56.6(5) 2_556 . . . ?
K3 C31 C30 C29 56.6(5) . . . . ?
K3 C35 C36 Ce2 -106.44(9) 2_556 . . . ?
K3 C35 C36 Ce2 -106.44(9) . . . . ?
K3 C35 C36 K3 0.000(1) . . . 2_556 ?
K3 C35 C36 K3 0.000(1) 2_556 . . . ?
K3 C35 C36 C29 -56.2(4) 2_556 . . . ?
K3 C35 C36 C29 -56.2(4) . . . . ?
K3 C29 C36 Ce2 106.96(8) . . . . ?
K3 C29 C36 Ce2 106.96(8) 2_556 . . . ?
K3 C29 C36 K3 0.0 . . . 2_556 ?
K3 C29 C36 K3 0.0 2_556 . . . ?
K3 C29 C36 C35 56.6(4) . . . . ?
K3 C29 C36 C35 56.6(4) 2_556 . . . ?
K3 C29 C30 Ce2 -107.33(9) 2_556 . . . ?
K3 C29 C30 Ce2 -107.33(9) . . . . ?
K3 C29 C30 K3 0.000(0) . . . 2_556 ?
K3 C29 C30 K3 0.000(0) 2_556 . . . ?
K3 C29 C30 C31 -56.5(5) . . . . ?
K3 C29 C30 C31 -56.5(5) 2_556 . . . ?
K3 O2 C44 C43 -178.2(9) . . . . ?
K3 O2 C41 C42 -151.3(6) . . . . ?
K1 C5 C4 Ce1 -105.31(8) 5_676 . . . ?
K1 C5 C4 Ce1 -105.31(8) . . . . ?
K1 C5 C4 K1 0.000(1) 5_676 . . . ?
K1 C5 C4 K1 0.000(1) . . . 5_676 ?
K1 C5 C4 C3 -59.2(4) . . . . ?
K1 C5 C4 C3 -59.2(4) 5_676 . . . ?
K1 C5 C6 Ce1 104.68(8) . . . . ?
K1 C5 C6 Ce1 104.68(8) 5_676 . . . ?
K1 C5 C6 K1 0.000(1) . . . 5_676 ?
K1 C5 C6 K1 0.000(1) 5_676 . . . ?
K1 C5 C6 C7 52.3(4) . . . . ?
K1 C5 C6 C7 52.3(4) 5_676 . . . ?
K1 C4 C3 Ce1 -105.28(8) . . . . ?
K1 C4 C3 Ce1 -105.28(8) 5_676 . . . ?
K1 C4 C3 K1 0.000(1) . . . 5_676 ?
K1 C4 C3 K1 0.000(1) 5_676 . . . ?
K1 C4 C3 C2 -53.9(4) . . . . ?
K1 C4 C3 C2 -53.9(4) 5_676 . . . ?
K1 C3 C2 Ce1 -104.46(8) . . . . ?
K1 C3 C2 Ce1 -104.46(8) 5_676 . . . ?
K1 C3 C2 K1 0.000(0) 5_676 . . . ?
K1 C3 C2 K1 0.000(0) . . . 5_676 ?
K1 C3 C2 C1 -51.4(4) . . . . ?
K1 C3 C2 C1 -51.4(4) 5_676 . . . ?
K1 C1 C2 Ce1 104.13(8) 5_676 . . . ?
K1 C1 C2 Ce1 104.13(8) . . . . ?
K1 C1 C2 K1 0.000(1) 5_676 . . . ?
K1 C1 C2 K1 0.000(1) . . . 5_676 ?
K1 C1 C2 C3 51.5(4) 5_676 . . . ?
K1 C1 C2 C3 51.5(4) . . . . ?
K1 C1 C8 Ce1 -104.61(8) 5_676 . . . ?
K1 C1 C8 Ce1 -104.61(8) . . . . ?
K1 C1 C8 K1 0.000(1) . . . 5_676 ?
K1 C1 C8 K1 0.000(1) 5_676 . . . ?
K1 C1 C8 C7 -56.9(4) . . . . ?
K1 C1 C8 C7 -56.9(4) 5_676 . . . ?
K1 C8 C7 Ce1 -104.69(7) . . . . ?
K1 C8 C7 Ce1 -104.69(7) 5_676 . . . ?
K1 C8 C7 K1 0.000(1) 5_676 . . . ?
K1 C8 C7 K1 0.000(1) . . . 5_676 ?
K1 C8 C7 C6 -54.5(4) . . . . ?
K1 C8 C7 C6 -54.5(4) 5_676 . . . ?
K1 C7 C6 Ce1 -104.43(8) . . . . ?
K1 C7 C6 Ce1 -104.43(8) 5_676 . . . ?
K1 C7 C6 K1 0.000(0) . . . 5_676 ?
K1 C7 C6 K1 0.000(0) 5_676 . . . ?
K1 C7 C6 C5 -52.3(4) . . . . ?
K1 C7 C6 C5 -52.3(4) 5_676 . . . ?
Si08 C12 C11 Ce1 -122.7(2) . . . . ?
Si08 C12 C11 K2 96.2(2) . . . . ?
Si08 C12 C11 C10 170.0(2) . . . . ?
Si08 C12 C11 C20 -3.9(4) . . . . ?
O1 C37 C38 C39 -29.7(4) . . . . ?
O1 C40 C39 C38 -33.3(4) . . . . ?
C5 C4 C3 Ce1 -46.0(4) . . . . ?
C5 C4 C3 K1 59.3(4) . . . 5_676 ?
C5 C4 C3 K1 59.3(4) . . . . ?
C5 C4 C3 C2 5.4(7) . . . . ?
C4 C5 C6 Ce1 52.1(4) . . . . ?
C4 C5 C6 K1 -52.6(4) . . . 5_676 ?
C4 C5 C6 K1 -52.6(4) . . . . ?
C4 C5 C6 C7 -0.3(7) . . . . ?
C4 C3 C2 Ce1 -51.6(4) . . . . ?
C4 C3 C2 K1 52.8(4) . . . . ?
C4 C3 C2 K1 52.8(4) . . . 5_676 ?
C4 C3 C2 C1 1.4(7) . . . . ?
C32 C33 C34 Ce2 -50.6(4) . . . . ?
C32 C33 C34 K3 55.7(4) . . . . ?
C32 C33 C34 K3 55.7(4) . . . 2_556 ?
C32 C33 C34 C35 -0.2(7) . . . . ?
C32 C31 C30 Ce2 48.8(4) . . . . ?
C32 C31 C30 K3 -58.1(4) . . . . ?
C32 C31 C30 K3 -58.1(4) . . . 2_556 ?
C32 C31 C30 C29 -1.5(8) . . . . ?
C11 C10 C9 Ce1 65.9(2) . . . . ?
C11 C10 C9 Ge1 -3.0(4) . . . . ?
C11 C10 C9 K2 -70.7(3) . . . . ?
C11 C10 C9 Si07 -169.9(2) . . . . ?
C1 C8 C7 Ce1 -48.0(4) . . . . ?
C1 C8 C7 K1 56.7(4) . . . . ?
C1 C8 C7 K1 56.7(4) . . . 5_676 ?
C1 C8 C7 C6 2.2(7) . . . . ?
C2 C1 C8 Ce1 -48.7(4) . . . . ?
C2 C1 C8 K1 55.9(4) . . . 5_676 ?
C2 C1 C8 K1 55.9(4) . . . . ?
C2 C1 C8 C7 -1.0(7) . . . . ?
C9 C10 C11 Ce1 -68.0(3) . . . . ?
C9 C10 C11 K2 76.6(3) . . . . ?
C9 C10 C11 C12 -0.3(4) . . . . ?
C9 C10 C11 C20 173.7(3) . . . . ?
C8 C1 C2 Ce1 49.1(4) . . . . ?
C8 C1 C2 K1 -55.0(4) . . . . ?
C8 C1 C2 K1 -55.0(4) . . . 5_676 ?
C8 C1 C2 C3 -3.5(7) . . . . ?
C8 C7 C6 Ce1 -50.8(4) . . . . ?
C8 C7 C6 K1 53.7(4) . . . . ?
C8 C7 C6 K1 53.7(4) . . . 5_676 ?
C8 C7 C6 C5 1.4(7) . . . . ?
C33 C32 C31 Ce2 50.1(4) . . . . ?
C33 C32 C31 K3 -56.3(4) . . . . ?
C33 C32 C31 K3 -56.3(4) . . . 2_556 ?
C33 C32 C31 C30 1.5(7) . . . . ?
C33 C34 C35 Ce2 -50.4(4) . . . . ?
C33 C34 C35 K3 55.9(4) . . . . ?
C33 C34 C35 K3 55.9(4) . . . 2_556 ?
C33 C34 C35 C36 -0.6(7) . . . . ?
C34 C35 C36 Ce2 -49.9(4) . . . . ?
C34 C35 C36 K3 56.6(4) . . . . ?
C34 C35 C36 K3 56.6(4) . . . 2_556 ?
C34 C35 C36 C29 0.3(7) . . . . ?
C19 C10 C11 Ce1 117.7(3) . . . . ?
C19 C10 C11 K2 -97.7(3) . . . . ?
C19 C10 C11 C12 -174.7(3) . . . . ?
C19 C10 C11 C20 -0.6(5) . . . . ?
C19 C10 C9 Ce1 -119.8(3) . . . . ?
C19 C10 C9 Ge1 171.2(3) . . . . ?
C19 C10 C9 K2 103.6(3) . . . . ?
C19 C10 C9 Si07 4.3(5) . . . . ?
C31 C32 C33 Ce2 -50.5(4) . . . . ?
C31 C32 C33 K3 55.9(4) . . . . ?
C31 C32 C33 K3 55.9(4) . . . 2_556 ?
C31 C32 C33 C34 -0.1(7) . . . . ?
C28 C21 C22 Ce2 49.0(4) . . . . ?
C28 C21 C22 K2 -58.7(5) . . . . ?
C28 C21 C22 C23 -1.1(8) . . . . ?
C28 C27 C26 Ce2 -50.8(4) . . . . ?
C28 C27 C26 K2 54.2(5) . . . . ?
C28 C27 C26 C25 -0.4(8) . . . . ?
C15 Si07 C9 Ce1 29.2(2) . . . . ?
C15 Si07 C9 Ge1 131.3(2) . . . . ?
C15 Si07 C9 K2 -140.73(16) . . . . ?
C15 Si07 C9 C10 -63.7(3) . . . . ?
C36 C29 C30 Ce2 -51.0(5) . . . . ?
C36 C29 C30 K3 56.3(5) . . . 2_556 ?
C36 C29 C30 K3 56.3(5) . . . . ?
C36 C29 C30 C31 -0.2(8) . . . . ?
C6 C5 C4 Ce1 -51.6(4) . . . . ?
C6 C5 C4 K1 53.7(4) . . . 5_676 ?
C6 C5 C4 K1 53.7(4) . . . . ?
C6 C5 C4 C3 -5.5(7) . . . . ?
C25 C24 C23 Ce2 -50.5(4) . . . . ?
C25 C24 C23 K2 59.7(4) . . . . ?
C25 C24 C23 C22 1.6(8) . . . . ?
C13 Si07 C9 Ce1 -93.3(2) . . . . ?
C13 Si07 C9 Ge1 8.8(3) . . . . ?
C13 Si07 C9 K2 96.76(18) . . . . ?
C13 Si07 C9 C10 173.7(3) . . . . ?
C21 C28 C27 Ce2 -51.2(5) . . . . ?
C21 C28 C27 K2 53.2(5) . . . . ?
C21 C28 C27 C26 -0.4(8) . . . . ?
C16 Si08 C12 Ce1 91.2(2) . . . . ?
C16 Si08 C12 Ge1 -11.1(3) . . . . ?
C16 Si08 C12 K2 -99.33(17) . . . . ?
C16 Si08 C12 C11 -175.6(3) . . . . ?
C14 Si07 C9 Ce1 149.73(19) . . . . ?
C14 Si07 C9 Ge1 -108.2(2) . . . . ?
C14 Si07 C9 K2 -20.2(2) . . . . ?
C14 Si07 C9 C10 56.8(3) . . . . ?
C24 C25 C26 Ce2 49.8(4) . . . . ?
C24 C25 C26 K2 -57.4(4) . . . . ?
C24 C25 C26 C27 -0.6(8) . . . . ?
C24 C23 C22 Ce2 -52.0(4) . . . . ?
C24 C23 C22 K2 57.5(4) . . . . ?
C24 C23 C22 C21 -1.5(8) . . . . ?
C27 C28 C21 Ce2 51.1(4) . . . . ?
C27 C28 C21 K2 -54.4(5) . . . . ?
C27 C28 C21 C22 2.1(8) . . . . ?
C26 C25 C24 Ce2 -50.0(4) . . . . ?
C26 C25 C24 K2 59.4(4) . . . . ?
C26 C25 C24 C23 0.4(8) . . . . ?
C37 O1 C40 C39 15.5(4) . . . . ?
C17 Si08 C12 Ce1 -30.5(2) . . . . ?
C17 Si08 C12 Ge1 -132.8(2) . . . . ?
C17 Si08 C12 K2 138.95(15) . . . . ?
C17 Si08 C12 C11 62.7(3) . . . . ?
C40 O1 C37 C38 9.3(4) . . . . ?
C40 C39 C38 C37 37.8(4) . . . . ?
C30 C29 C36 Ce2 51.1(5) . . . . ?
C30 C29 C36 K3 -55.9(5) . . . . ?
C30 C29 C36 K3 -55.9(5) . . . 2_556 ?
C30 C29 C36 C35 0.7(8) . . . . ?
C18 Si08 C12 Ce1 -151.1(2) . . . . ?
C18 Si08 C12 Ge1 106.6(2) . . . . ?
C18 Si08 C12 K2 18.3(2) . . . . ?
C18 Si08 C12 C11 -58.0(3) . . . . ?
O2 C44 C43 C42 -43.2(13) . . . . ?
C44 O2 C41 C42 -12.1 . . . . ?
C41 O2 C44 C43 34.4(9) . . . . ?
C41 C42 C43 C44 36.3(13) . . . . ?
C43 C42 C41 O2 -17.0(10) . . . . ?
C48A O3A C45A C46A -36(2) . . . . ?
O3A C48A C47A C46A -4(2) . . . . ?
C45A C46A C47A C48A -18(2) . . . . ?
C47A C48A O3A C45A 26(3) . . . . ?
C47A C46A C45A O3A 33.4(18) . . . . ?
O3B C45B C46B C47B 30.5 . . . . ?
C45B O3B C48B C47B -12.1 . . . . ?
C45B C46B C47B C48B -36.4 . . . . ?
C46B C47B C48B O3B 30.7 . . . . ?
C48B O3B C45B C46B -11.9 . . . . ?
