# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex_4
_database_code_depnum_ccdc_archive 'CCDC 1050744'
_audit_update_record             
;
2015-02-20 deposited with the CCDC.
2015-05-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H53 N3 Si6 Te U'
_chemical_formula_weight         845.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3155(2)
_cell_length_b                   11.8276(3)
_cell_length_c                   17.5749(5)
_cell_angle_alpha                88.1570(10)
_cell_angle_beta                 89.0510(10)
_cell_angle_gamma                75.4470(10)
_cell_volume                     1672.15(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       needle
_exptl_crystal_colour            orange-red
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             820
_exptl_absorpt_coefficient_mu    5.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5720
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38455
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0308
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         36.42
_reflns_number_total             16143
_reflns_number_gt                14630
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0246P)²+0.0541P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16143
_refine_ls_number_parameters     279
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0479
_refine_ls_wR_factor_gt          0.0464
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_restrained_S_all      0.979
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.223439(7) 0.148258(5) 0.265413(3) 0.01095(1) Uani 1 1 d . . .
Te1 Te 0.554280(14) 0.091864(10) 0.344922(6) 0.01820(2) Uani 1 1 d . . .
Si5 Si 0.05406(6) 0.21770(4) 0.42753(2) 0.01299(7) Uani 1 1 d . . .
Si6 Si 0.22381(6) 0.40544(4) 0.36506(2) 0.01300(7) Uani 1 1 d . . .
Si3 Si 0.31303(6) 0.23347(4) 0.08214(2) 0.01467(7) Uani 1 1 d . . .
Si4 Si -0.02477(6) 0.35715(4) 0.14556(2) 0.01285(7) Uani 1 1 d . . .
Si2 Si 0.15715(6) -0.09437(4) 0.18453(3) 0.01444(7) Uani 1 1 d . . .
Si1 Si 0.46771(6) -0.14392(4) 0.27783(3) 0.01473(7) Uani 1 1 d . . .
N3 N 0.15814(16) 0.27772(11) 0.35711(7) 0.0119(2) Uani 1 1 d . . .
N2 N 0.16793(17) 0.25778(11) 0.15584(7) 0.0125(2) Uani 1 1 d . . .
N1 N 0.29554(16) -0.04318(11) 0.23900(7) 0.0123(2) Uani 1 1 d . . .
C13 C 0.0302(2) 0.07567(15) 0.38747(9) 0.0177(3) Uani 1 1 d . . .
H1A H -0.0309 0.0922 0.3395 0.027 Uiso 1 1 calc R . .
H1B H -0.0310 0.0377 0.4240 0.027 Uiso 1 1 calc R . .
H1C H 0.1404 0.0238 0.3782 0.027 Uiso 1 1 calc R . .
C15 C -0.1601(2) 0.30690(16) 0.44764(10) 0.0206(3) Uani 1 1 d . . .
H2A H -0.1545 0.3810 0.4694 0.031 Uiso 1 1 calc R . .
H2B H -0.2154 0.2641 0.4839 0.031 Uiso 1 1 calc R . .
H2C H -0.2232 0.3225 0.4002 0.031 Uiso 1 1 calc R . .
C17 C 0.3567(2) 0.39927(17) 0.45057(10) 0.0214(3) Uani 1 1 d . . .
H3A H 0.2874 0.4062 0.4967 0.032 Uiso 1 1 calc R . .
H3B H 0.4113 0.4637 0.4473 0.032 Uiso 1 1 calc R . .
H3C H 0.4412 0.3247 0.4526 0.032 Uiso 1 1 calc R . .
C16 C 0.3531(2) 0.42670(15) 0.28024(10) 0.0194(3) Uani 1 1 d . . .
H4A H 0.4529 0.3618 0.2783 0.029 Uiso 1 1 calc R . .
H4B H 0.3855 0.5004 0.2842 0.029 Uiso 1 1 calc R . .
H4C H 0.2886 0.4291 0.2338 0.029 Uiso 1 1 calc R . .
C18 C 0.0415(2) 0.53506(15) 0.37266(11) 0.0209(3) Uani 1 1 d . . .
H5A H -0.0322 0.5380 0.3293 0.031 Uiso 1 1 calc R . .
H5B H 0.0806 0.6066 0.3725 0.031 Uiso 1 1 calc R . .
H5C H -0.0193 0.5284 0.4202 0.031 Uiso 1 1 calc R . .
C14 C 0.1694(3) 0.17878(17) 0.51875(10) 0.0220(3) Uani 1 1 d . . .
H6A H 0.2799 0.1282 0.5085 0.033 Uiso 1 1 calc R . .
H6B H 0.1081 0.1375 0.5532 0.033 Uiso 1 1 calc R . .
H6C H 0.1807 0.2502 0.5425 0.033 Uiso 1 1 calc R . .
C9 C 0.3678(3) 0.36953(18) 0.04595(12) 0.0283(4) Uani 1 1 d . . .
H7A H 0.2716 0.4206 0.0202 0.042 Uiso 1 1 calc R . .
H7B H 0.4610 0.3490 0.0099 0.042 Uiso 1 1 calc R . .
H7C H 0.3993 0.4103 0.0887 0.042 Uiso 1 1 calc R . .
C7 C 0.2444(3) 0.1652(2) -0.00249(11) 0.0274(4) Uani 1 1 d . . .
H8A H 0.1848 0.1073 0.0149 0.041 Uiso 1 1 calc R . .
H8B H 0.3419 0.1268 -0.0326 0.041 Uiso 1 1 calc R . .
H8C H 0.1707 0.2259 -0.0339 0.041 Uiso 1 1 calc R . .
C8 C 0.5084(2) 0.13047(17) 0.11779(10) 0.0230(3) Uani 1 1 d . . .
H9A H 0.5503 0.1645 0.1610 0.034 Uiso 1 1 calc R . .
H9B H 0.5921 0.1169 0.0770 0.034 Uiso 1 1 calc R . .
H9C H 0.4850 0.0561 0.1340 0.034 Uiso 1 1 calc R . .
C12 C -0.0132(2) 0.51316(15) 0.14160(11) 0.0222(3) Uani 1 1 d . . .
H10A H 0.0403 0.5299 0.1877 0.033 Uiso 1 1 calc R . .
H10B H -0.1256 0.5645 0.1382 0.033 Uiso 1 1 calc R . .
H10C H 0.0518 0.5268 0.0968 0.033 Uiso 1 1 calc R . .
C10 C -0.1375(3) 0.33350(17) 0.05861(10) 0.0229(3) Uani 1 1 d . . .
H11A H -0.0713 0.3424 0.0132 0.034 Uiso 1 1 calc R . .
H11B H -0.2451 0.3911 0.0560 0.034 Uiso 1 1 calc R . .
H11C H -0.1552 0.2546 0.0611 0.034 Uiso 1 1 calc R . .
C11 C -0.1648(2) 0.34321(16) 0.22828(10) 0.0192(3) Uani 1 1 d . . .
H12A H -0.1727 0.2621 0.2339 0.029 Uiso 1 1 calc R . .
H12B H -0.2756 0.3945 0.2192 0.029 Uiso 1 1 calc R . .
H12C H -0.1193 0.3658 0.2749 0.029 Uiso 1 1 calc R . .
C1 C 0.6422(2) -0.07292(15) 0.28813(10) 0.0182(3) Uani 1 1 d . . .
H13A H 0.6876 -0.0589 0.2373 0.022 Uiso 1 1 calc R . .
H13B H 0.7322 -0.1251 0.3182 0.022 Uiso 1 1 calc R . .
C3 C 0.5501(3) -0.27327(17) 0.21658(13) 0.0263(4) Uani 1 1 d . . .
H14A H 0.4634 -0.3148 0.2098 0.039 Uiso 1 1 calc R . .
H14B H 0.6465 -0.3260 0.2412 0.039 Uiso 1 1 calc R . .
H14C H 0.5835 -0.2465 0.1668 0.039 Uiso 1 1 calc R . .
C2 C 0.4164(3) -0.20135(18) 0.37337(11) 0.0249(3) Uani 1 1 d . . .
H15A H 0.3945 -0.1381 0.4098 0.037 Uiso 1 1 calc R . .
H15B H 0.5103 -0.2643 0.3910 0.037 Uiso 1 1 calc R . .
H15C H 0.3176 -0.2317 0.3693 0.037 Uiso 1 1 calc R . .
C4 C 0.0848(3) -0.21449(16) 0.23456(13) 0.0258(4) Uani 1 1 d . . .
H16A H 0.1788 -0.2831 0.2412 0.039 Uiso 1 1 calc R . .
H16B H -0.0010 -0.2350 0.2042 0.039 Uiso 1 1 calc R . .
H16C H 0.0386 -0.1884 0.2845 0.039 Uiso 1 1 calc R . .
C5 C 0.2450(3) -0.1439(2) 0.08900(12) 0.0298(4) Uani 1 1 d . . .
H17A H 0.3153 -0.0937 0.0702 0.045 Uiso 1 1 calc R . .
H17B H 0.1541 -0.1392 0.0533 0.045 Uiso 1 1 calc R . .
H17C H 0.3117 -0.2249 0.0935 0.045 Uiso 1 1 calc R . .
C6 C -0.0323(2) 0.02811(15) 0.16612(10) 0.0184(3) Uani 1 1 d . . .
H18A H -0.0839 0.0565 0.2147 0.028 Uiso 1 1 calc R . .
H18B H -0.1117 -0.0003 0.1361 0.028 Uiso 1 1 calc R . .
H18C H -0.0003 0.0920 0.1379 0.028 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
U1 N3 2.2245(13) . ?
U1 N1 2.2534(13) . ?
U1 N2 2.2733(12) . ?
U1 Te1 3.01849(14) . ?
Te1 C1 2.1711(18) . ?
Si5 N3 1.7324(13) . ?
Si5 C15 1.8626(18) . ?
Si5 C14 1.8665(18) . ?
Si5 C13 1.8986(17) . ?
Si6 N3 1.7408(13) . ?
Si6 C17 1.8689(18) . ?
Si6 C16 1.8708(17) . ?
Si6 C18 1.8723(18) . ?
Si3 N2 1.7362(13) . ?
Si3 C9 1.869(2) . ?
Si3 C8 1.8723(18) . ?
Si3 C7 1.878(2) . ?
Si4 N2 1.7410(14) . ?
Si4 C10 1.8705(18) . ?
Si4 C12 1.8708(18) . ?
Si4 C11 1.8767(16) . ?
Si2 N1 1.7411(14) . ?
Si2 C4 1.8669(18) . ?
Si2 C5 1.872(2) . ?
Si2 C6 1.8775(17) . ?
Si1 N1 1.7487(13) . ?
Si1 C1 1.8637(18) . ?
Si1 C2 1.8738(18) . ?
Si1 C3 1.877(2) . ?
C13 H1A 0.9800 . ?
C13 H1B 0.9800 . ?
C13 H1C 0.9800 . ?
C15 H2A 0.9800 . ?
C15 H2B 0.9800 . ?
C15 H2C 0.9800 . ?
C17 H3A 0.9800 . ?
C17 H3B 0.9800 . ?
C17 H3C 0.9800 . ?
C16 H4A 0.9800 . ?
C16 H4B 0.9800 . ?
C16 H4C 0.9800 . ?
C18 H5A 0.9800 . ?
C18 H5B 0.9800 . ?
C18 H5C 0.9800 . ?
C14 H6A 0.9800 . ?
C14 H6B 0.9800 . ?
C14 H6C 0.9800 . ?
C9 H7A 0.9800 . ?
C9 H7B 0.9800 . ?
C9 H7C 0.9800 . ?
C7 H8A 0.9800 . ?
C7 H8B 0.9800 . ?
C7 H8C 0.9800 . ?
C8 H9A 0.9800 . ?
C8 H9B 0.9800 . ?
C8 H9C 0.9800 . ?
C12 H10A 0.9800 . ?
C12 H10B 0.9800 . ?
C12 H10C 0.9800 . ?
C10 H11A 0.9800 . ?
C10 H11B 0.9800 . ?
C10 H11C 0.9800 . ?
C11 H12A 0.9800 . ?
C11 H12B 0.9800 . ?
C11 H12C 0.9800 . ?
C1 H13A 0.9900 . ?
C1 H13B 0.9900 . ?
C3 H14A 0.9800 . ?
C3 H14B 0.9800 . ?
C3 H14C 0.9800 . ?
C2 H15A 0.9800 . ?
C2 H15B 0.9800 . ?
C2 H15C 0.9800 . ?
C4 H16A 0.9800 . ?
C4 H16B 0.9800 . ?
C4 H16C 0.9800 . ?
C5 H17A 0.9800 . ?
C5 H17B 0.9800 . ?
C5 H17C 0.9800 . ?
C6 H18A 0.9800 . ?
C6 H18B 0.9800 . ?
C6 H18C 0.9800 . ?

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
N3 U1 N1 145.30(4) . . ?
N3 U1 N2 104.27(5) . . ?
N1 U1 N2 110.01(5) . . ?
N3 U1 Te1 81.60(3) . . ?
N1 U1 Te1 83.70(3) . . ?
N2 U1 Te1 124.14(3) . . ?
C1 Te1 U1 93.08(5) . . ?
N3 Si5 C15 113.97(7) . . ?
N3 Si5 C14 114.71(8) . . ?
C15 Si5 C14 109.48(9) . . ?
N3 Si5 C13 104.95(7) . . ?
C15 Si5 C13 106.30(8) . . ?
C14 Si5 C13 106.72(8) . . ?
N3 Si6 C17 111.68(8) . . ?
N3 Si6 C16 110.09(7) . . ?
C17 Si6 C16 106.71(9) . . ?
N3 Si6 C18 110.71(8) . . ?
C17 Si6 C18 108.23(9) . . ?
C16 Si6 C18 109.30(8) . . ?
N2 Si3 C9 113.26(8) . . ?
N2 Si3 C8 108.56(7) . . ?
C9 Si3 C8 107.58(10) . . ?
N2 Si3 C7 113.43(8) . . ?
C9 Si3 C7 106.58(10) . . ?
C8 Si3 C7 107.10(10) . . ?
N2 Si4 C10 113.00(8) . . ?
N2 Si4 C12 113.54(8) . . ?
C10 Si4 C12 107.16(9) . . ?
N2 Si4 C11 110.66(7) . . ?
C10 Si4 C11 105.89(9) . . ?
C12 Si4 C11 106.06(8) . . ?
N1 Si2 C4 112.29(8) . . ?
N1 Si2 C5 112.57(9) . . ?
C4 Si2 C5 109.52(11) . . ?
N1 Si2 C6 108.91(7) . . ?
C4 Si2 C6 106.83(8) . . ?
C5 Si2 C6 106.39(9) . . ?
N1 Si1 C1 109.73(7) . . ?
N1 Si1 C2 111.17(8) . . ?
C1 Si1 C2 109.09(9) . . ?
N1 Si1 C3 113.40(8) . . ?
C1 Si1 C3 105.94(9) . . ?
C2 Si1 C3 107.30(10) . . ?
Si5 N3 Si6 125.05(8) . . ?
Si5 N3 U1 107.07(6) . . ?
Si6 N3 U1 127.25(7) . . ?
Si3 N2 Si4 121.55(7) . . ?
Si3 N2 U1 119.21(7) . . ?
Si4 N2 U1 119.10(6) . . ?
Si2 N1 Si1 118.76(8) . . ?
Si2 N1 U1 116.77(7) . . ?
Si1 N1 U1 124.10(7) . . ?
Si5 C13 H1A 109.5 . . ?
Si5 C13 H1B 109.5 . . ?
H1A C13 H1B 109.5 . . ?
Si5 C13 H1C 109.5 . . ?
H1A C13 H1C 109.5 . . ?
H1B C13 H1C 109.5 . . ?
Si5 C15 H2A 109.5 . . ?
Si5 C15 H2B 109.5 . . ?
H2A C15 H2B 109.5 . . ?
Si5 C15 H2C 109.5 . . ?
H2A C15 H2C 109.5 . . ?
H2B C15 H2C 109.5 . . ?
Si6 C17 H3A 109.5 . . ?
Si6 C17 H3B 109.5 . . ?
H3A C17 H3B 109.5 . . ?
Si6 C17 H3C 109.5 . . ?
H3A C17 H3C 109.5 . . ?
H3B C17 H3C 109.5 . . ?
Si6 C16 H4A 109.5 . . ?
Si6 C16 H4B 109.5 . . ?
H4A C16 H4B 109.5 . . ?
Si6 C16 H4C 109.5 . . ?
H4A C16 H4C 109.5 . . ?
H4B C16 H4C 109.5 . . ?
Si6 C18 H5A 109.5 . . ?
Si6 C18 H5B 109.5 . . ?
H5A C18 H5B 109.5 . . ?
Si6 C18 H5C 109.5 . . ?
H5A C18 H5C 109.5 . . ?
H5B C18 H5C 109.5 . . ?
Si5 C14 H6A 109.5 . . ?
Si5 C14 H6B 109.5 . . ?
H6A C14 H6B 109.5 . . ?
Si5 C14 H6C 109.5 . . ?
H6A C14 H6C 109.5 . . ?
H6B C14 H6C 109.5 . . ?
Si3 C9 H7A 109.5 . . ?
Si3 C9 H7B 109.5 . . ?
H7A C9 H7B 109.5 . . ?
Si3 C9 H7C 109.5 . . ?
H7A C9 H7C 109.5 . . ?
H7B C9 H7C 109.5 . . ?
Si3 C7 H8A 109.5 . . ?
Si3 C7 H8B 109.5 . . ?
H8A C7 H8B 109.5 . . ?
Si3 C7 H8C 109.5 . . ?
H8A C7 H8C 109.5 . . ?
H8B C7 H8C 109.5 . . ?
Si3 C8 H9A 109.5 . . ?
Si3 C8 H9B 109.5 . . ?
H9A C8 H9B 109.5 . . ?
Si3 C8 H9C 109.5 . . ?
H9A C8 H9C 109.5 . . ?
H9B C8 H9C 109.5 . . ?
Si4 C12 H10A 109.5 . . ?
Si4 C12 H10B 109.5 . . ?
H10A C12 H10B 109.5 . . ?
Si4 C12 H10C 109.5 . . ?
H10A C12 H10C 109.5 . . ?
H10B C12 H10C 109.5 . . ?
Si4 C10 H11A 109.5 . . ?
Si4 C10 H11B 109.5 . . ?
H11A C10 H11B 109.5 . . ?
Si4 C10 H11C 109.5 . . ?
H11A C10 H11C 109.5 . . ?
H11B C10 H11C 109.5 . . ?
Si4 C11 H12A 109.5 . . ?
Si4 C11 H12B 109.5 . . ?
H12A C11 H12B 109.5 . . ?
Si4 C11 H12C 109.5 . . ?
H12A C11 H12C 109.5 . . ?
H12B C11 H12C 109.5 . . ?
Si1 C1 Te1 109.84(8) . . ?
Si1 C1 H13A 109.7 . . ?
Te1 C1 H13A 109.7 . . ?
Si1 C1 H13B 109.7 . . ?
Te1 C1 H13B 109.7 . . ?
H13A C1 H13B 108.2 . . ?
Si1 C3 H14A 109.5 . . ?
Si1 C3 H14B 109.5 . . ?
H14A C3 H14B 109.5 . . ?
Si1 C3 H14C 109.5 . . ?
H14A C3 H14C 109.5 . . ?
H14B C3 H14C 109.5 . . ?
Si1 C2 H15A 109.5 . . ?
Si1 C2 H15B 109.5 . . ?
H15A C2 H15B 109.5 . . ?
Si1 C2 H15C 109.5 . . ?
H15A C2 H15C 109.5 . . ?
H15B C2 H15C 109.5 . . ?
Si2 C4 H16A 109.5 . . ?
Si2 C4 H16B 109.5 . . ?
H16A C4 H16B 109.5 . . ?
Si2 C4 H16C 109.5 . . ?
H16A C4 H16C 109.5 . . ?
H16B C4 H16C 109.5 . . ?
Si2 C5 H17A 109.5 . . ?
Si2 C5 H17B 109.5 . . ?
H17A C5 H17B 109.5 . . ?
Si2 C5 H17C 109.5 . . ?
H17A C5 H17C 109.5 . . ?
H17B C5 H17C 109.5 . . ?
Si2 C6 H18A 109.5 . . ?
Si2 C6 H18B 109.5 . . ?
H18A C6 H18B 109.5 . . ?
Si2 C6 H18C 109.5 . . ?
H18A C6 H18C 109.5 . . ?
H18B C6 H18C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        36.42
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         2.450
_refine_diff_density_min         -0.810
_refine_diff_density_rms         0.120
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex_10
_database_code_depnum_ccdc_archive 'CCDC 1050745'
_audit_update_record             
;
2015-02-20 deposited with the CCDC.
2015-05-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H74 K N3 O2 S2 Si6 U'
_chemical_formula_weight         970.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
U U -9.6767 9.6646 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/C

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.6285(12)
_cell_length_b                   20.3969(16)
_cell_length_c                   14.6493(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.297(4)
_cell_angle_gamma                90.00
_cell_volume                     4594.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1976
_exptl_absorpt_coefficient_mu    3.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5474
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            52766
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.32
_diffrn_reflns_theta_max         28.41
_reflns_number_total             11508
_reflns_number_gt                10380
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0144P)²+2.8840P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11508
_refine_ls_number_parameters     403
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0174
_refine_ls_wR_factor_ref         0.0399
_refine_ls_wR_factor_gt          0.0385
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.740869(4) 0.521942(3) 0.273718(4) 0.00949(2) Uani 1 1 d . . .
S2 S 0.87934(3) 0.45311(2) 0.36936(3) 0.01733(9) Uani 1 1 d . . .
S1 S 0.87803(3) 0.55264(2) 0.40653(3) 0.01831(9) Uani 1 1 d . . .
K1 K 1.07656(2) 0.528286(19) 0.39450(3) 0.01772(8) Uani 1 1 d . . .
Si1 Si 0.87810(3) 0.55969(3) 0.12169(3) 0.01584(10) Uani 1 1 d . . .
Si2 Si 0.77810(3) 0.43543(3) 0.07726(4) 0.01619(10) Uani 1 1 d . . .
Si3 Si 0.66946(3) 0.66117(2) 0.36891(4) 0.01492(10) Uani 1 1 d . . .
Si4 Si 0.62603(3) 0.66536(2) 0.16393(4) 0.01490(10) Uani 1 1 d . . .
Si5 Si 0.53548(3) 0.46206(2) 0.24699(4) 0.01457(10) Uani 1 1 d . . .
Si6 Si 0.65157(3) 0.40146(3) 0.41014(4) 0.01701(10) Uani 1 1 d . . .
N1 N 0.79606(9) 0.50690(7) 0.14176(10) 0.0141(3) Uani 1 1 d . . .
N2 N 0.67132(9) 0.62146(7) 0.26311(10) 0.0126(3) Uani 1 1 d . . .
N3 N 0.63669(9) 0.45496(7) 0.31650(10) 0.0125(3) Uani 1 1 d . . .
C20 C 1.17611(17) 0.65854(14) 0.24109(19) 0.0441(6) Uani 1 1 d . . .
H63 H 1.1516 0.6976 0.2055 0.053 Uiso 1 1 calc R . .
H62 H 1.1645 0.6202 0.1993 0.053 Uiso 1 1 calc R . .
O1 O 1.12214(9) 0.41120(7) 0.33379(9) 0.0229(3) Uani 1 1 d . . .
C1 C 0.98808(12) 0.52344(11) 0.16476(15) 0.0247(4) Uani 1 1 d . . .
H1 H 0.9849 0.4940 0.2169 0.037 Uiso 1 1 calc R . .
H3 H 1.0298 0.5587 0.1853 0.037 Uiso 1 1 calc R . .
H2 H 1.0071 0.4987 0.1146 0.037 Uiso 1 1 calc R . .
C2 C 0.87893(13) 0.39787(11) 0.04655(15) 0.0272(5) Uani 1 1 d . . .
H6 H 0.9205 0.3885 0.1035 0.041 Uiso 1 1 calc R . .
H4 H 0.9051 0.4285 0.0079 0.041 Uiso 1 1 calc R . .
H5 H 0.8638 0.3570 0.0122 0.041 Uiso 1 1 calc R . .
C3 C 0.70289(13) 0.44912(11) -0.03551(14) 0.0246(4) Uani 1 1 d . . .
H7 H 0.6512 0.4729 -0.0244 0.037 Uiso 1 1 calc R . .
H9 H 0.6854 0.4067 -0.0644 0.037 Uiso 1 1 calc R . .
H8 H 0.7327 0.4749 -0.0768 0.037 Uiso 1 1 calc R . .
C4 C 0.73228(14) 0.37037(10) 0.14503(15) 0.0243(4) Uani 1 1 d . . .
H11 H 0.6811 0.3876 0.1672 0.036 Uiso 1 1 calc R . .
H10 H 0.7763 0.3573 0.1982 0.036 Uiso 1 1 calc R . .
H12 H 0.7154 0.3322 0.1052 0.036 Uiso 1 1 calc R . .
C5 C 0.87099(13) 0.58030(11) -0.00430(13) 0.0232(4) Uani 1 1 d . . .
H13 H 0.8155 0.6022 -0.0273 0.035 Uiso 1 1 calc R . .
H15 H 0.8747 0.5399 -0.0397 0.035 Uiso 1 1 calc R . .
H14 H 0.9191 0.6095 -0.0117 0.035 Uiso 1 1 calc R . .
C6 C 0.87472(13) 0.64014(10) 0.18292(14) 0.0238(4) Uani 1 1 d . . .
H18 H 0.8711 0.6322 0.2481 0.036 Uiso 1 1 calc R . .
H17 H 0.8237 0.6651 0.1533 0.036 Uiso 1 1 calc R . .
H16 H 0.9276 0.6651 0.1794 0.036 Uiso 1 1 calc R . .
C7 C 0.67141(13) 0.60085(9) 0.46539(13) 0.0191(4) Uani 1 1 d . . .
H20 H 0.6298 0.5656 0.4451 0.029 Uiso 1 1 calc R . .
H19 H 0.6555 0.6230 0.5193 0.029 Uiso 1 1 calc R . .
H21 H 0.7300 0.5824 0.4824 0.029 Uiso 1 1 calc R . .
C8 C 0.76535(13) 0.71688(10) 0.40171(15) 0.0242(4) Uani 1 1 d . . .
H22 H 0.7637 0.7367 0.4623 0.036 Uiso 1 1 calc R . .
H24 H 0.7633 0.7515 0.3550 0.036 Uiso 1 1 calc R . .
H23 H 0.8191 0.6916 0.4050 0.036 Uiso 1 1 calc R . .
C9 C 0.65230(13) 0.63125(10) 0.05287(13) 0.0212(4) Uani 1 1 d . . .
H25 H 0.6871 0.5913 0.0663 0.032 Uiso 1 1 calc R . .
H26 H 0.6853 0.6638 0.0242 0.032 Uiso 1 1 calc R . .
H27 H 0.5982 0.6209 0.0103 0.032 Uiso 1 1 calc R . .
C10 C 0.50408(12) 0.66985(11) 0.14457(15) 0.0252(4) Uani 1 1 d . . .
H30 H 0.4802 0.6257 0.1477 0.038 Uiso 1 1 calc R . .
H29 H 0.4824 0.6888 0.0833 0.038 Uiso 1 1 calc R . .
H28 H 0.4861 0.6974 0.1926 0.038 Uiso 1 1 calc R . .
C11 C 0.66715(13) 0.75208(9) 0.16793(14) 0.0226(4) Uani 1 1 d . . .
H31 H 0.6524 0.7744 0.2223 0.034 Uiso 1 1 calc R . .
H32 H 0.6401 0.7752 0.1115 0.034 Uiso 1 1 calc R . .
H33 H 0.7304 0.7519 0.1721 0.034 Uiso 1 1 calc R . .
C12 C 0.56888(13) 0.71091(10) 0.37028(14) 0.0227(4) Uani 1 1 d . . .
H36 H 0.5176 0.6826 0.3559 0.034 Uiso 1 1 calc R . .
H34 H 0.5651 0.7458 0.3238 0.034 Uiso 1 1 calc R . .
H35 H 0.5714 0.7303 0.4319 0.034 Uiso 1 1 calc R . .
C13 C 0.46388(13) 0.52148(11) 0.29492(16) 0.0276(5) Uani 1 1 d . . .
H37 H 0.4502 0.5043 0.3531 0.041 Uiso 1 1 calc R . .
H38 H 0.4099 0.5277 0.2501 0.041 Uiso 1 1 calc R . .
H39 H 0.4940 0.5636 0.3067 0.041 Uiso 1 1 calc R . .
C14 C 0.55036(12) 0.49031(10) 0.12881(13) 0.0196(4) Uani 1 1 d . . .
H41 H 0.5975 0.5226 0.1352 0.029 Uiso 1 1 calc R . .
H40 H 0.4963 0.5104 0.0967 0.029 Uiso 1 1 calc R . .
H42 H 0.5650 0.4527 0.0929 0.029 Uiso 1 1 calc R . .
C15 C 0.54955(15) 0.37879(15) 0.45352(17) 0.0434(7) Uani 1 1 d . . .
H43 H 0.5155 0.4184 0.4594 0.065 Uiso 1 1 calc R . .
H44 H 0.5648 0.3575 0.5142 0.065 Uiso 1 1 calc R . .
H45 H 0.5151 0.3486 0.4096 0.065 Uiso 1 1 calc R . .
C16 C 0.70192(18) 0.32249(10) 0.38158(16) 0.0357(6) Uani 1 1 d . . .
H47 H 0.7047 0.2920 0.4337 0.054 Uiso 1 1 calc R . .
H46 H 0.7608 0.3309 0.3701 0.054 Uiso 1 1 calc R . .
H48 H 0.6666 0.3033 0.3260 0.054 Uiso 1 1 calc R . .
C17 C 0.72066(13) 0.43841(11) 0.51463(14) 0.0208(4) Uani 1 1 d . . .
C18 C 0.47457(15) 0.38347(11) 0.22184(16) 0.0335(5) Uani 1 1 d . . .
H53 H 0.4490 0.3709 0.2757 0.050 Uiso 1 1 calc R . .
H52 H 0.5145 0.3490 0.2089 0.050 Uiso 1 1 calc R . .
H54 H 0.4283 0.3892 0.1677 0.050 Uiso 1 1 calc R . .
C19 C 1.27082(19) 0.66706(15) 0.2661(2) 0.0515(7) Uani 1 1 d . . .
H64 H 1.2836 0.7060 0.3054 0.077 Uiso 1 1 calc R . .
H55 H 1.2955 0.6726 0.2097 0.077 Uiso 1 1 calc R . .
H57 H 1.2965 0.6283 0.3001 0.077 Uiso 1 1 calc R . .
O2 O 1.12981(10) 0.64922(8) 0.31802(11) 0.0321(4) Uani 1 1 d . . .
C21 C 1.12437(16) 0.70678(11) 0.37060(18) 0.0357(5) Uani 1 1 d . . .
H21A H 1.1031 0.7437 0.3287 0.043 Uiso 1 1 calc R . .
H21B H 1.1827 0.7184 0.4054 0.043 Uiso 1 1 calc R . .
C22 C 1.06268(17) 0.69513(12) 0.43756(19) 0.0404(6) Uani 1 1 d . . .
H60 H 1.0063 0.6806 0.4032 0.061 Uiso 1 1 calc R . .
H56 H 1.0551 0.7359 0.4705 0.061 Uiso 1 1 calc R . .
H59 H 1.0867 0.6613 0.4824 0.061 Uiso 1 1 calc R . .
C23 C 1.02073(16) 0.31878(12) 0.29998(17) 0.0376(6) Uani 1 1 d . . .
H65 H 0.9757 0.3498 0.2720 0.056 Uiso 1 1 calc R . .
H75 H 0.9941 0.2836 0.3309 0.056 Uiso 1 1 calc R . .
H67 H 1.0491 0.3000 0.2515 0.056 Uiso 1 1 calc R . .
C24 C 1.08730(15) 0.35407(10) 0.37000(15) 0.0281(5) Uani 1 1 d . . .
H68 H 1.0601 0.3669 0.4234 0.034 Uiso 1 1 calc R . .
H69 H 1.1355 0.3235 0.3931 0.034 Uiso 1 1 calc R . .
C25 C 1.17911(17) 0.39691(12) 0.27098(17) 0.0364(6) Uani 1 1 d . . .
H25A H 1.1453 0.3802 0.2119 0.044 Uiso 1 1 calc R . .
H25B H 1.2211 0.3626 0.2976 0.044 Uiso 1 1 calc R . .
C26 C 1.22667(15) 0.45765(14) 0.25331(16) 0.0366(6) Uani 1 1 d . . .
H71 H 1.1851 0.4903 0.2230 0.055 Uiso 1 1 calc R . .
H66 H 1.2686 0.4473 0.2130 0.055 Uiso 1 1 calc R . .
H70 H 1.2576 0.4752 0.3123 0.055 Uiso 1 1 calc R . .
H17A H 0.7609(16) 0.4666(12) 0.4989(17) 0.030(6) Uiso 1 1 d . . .
H17B H 0.6849(16) 0.4641(12) 0.5513(17) 0.030(6) Uiso 1 1 d . . .
H17C H 0.7496(17) 0.4046(14) 0.5495(18) 0.042(7) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
U1 N1 2.2740(15) . ?
U1 N2 2.2947(14) . ?
U1 N3 2.2968(14) . ?
U1 S1 2.6984(5) . ?
U1 S2 2.7448(5) . ?
S2 S1 2.1031(7) . ?
S2 K1 3.4032(6) . ?
S2 K1 3.4254(7) 3_766 ?
S1 K1 3.1782(6) . ?
S1 K1 3.3143(7) 3_766 ?
K1 O1 2.6885(14) . ?
K1 O2 2.8923(16) . ?
K1 C17 3.282(2) 3_766 ?
K1 S1 3.3143(7) 3_766 ?
K1 S2 3.4254(7) 3_766 ?
K1 K1 4.3883(9) 3_766 ?
Si1 N1 1.7392(16) . ?
Si1 C1 1.874(2) . ?
Si1 C6 1.875(2) . ?
Si1 C5 1.877(2) . ?
Si2 N1 1.7326(16) . ?
Si2 C3 1.869(2) . ?
Si2 C4 1.874(2) . ?
Si2 C2 1.878(2) . ?
Si3 N2 1.7535(16) . ?
Si3 C7 1.8701(19) . ?
Si3 C8 1.874(2) . ?
Si3 C12 1.874(2) . ?
Si4 N2 1.7452(15) . ?
Si4 C10 1.878(2) . ?
Si4 C11 1.879(2) . ?
Si4 C9 1.881(2) . ?
Si5 N3 1.7273(15) . ?
Si5 C18 1.867(2) . ?
Si5 C13 1.869(2) . ?
Si5 C14 1.878(2) . ?
Si6 N3 1.7357(16) . ?
Si6 C17 1.867(2) . ?
Si6 C16 1.873(2) . ?
Si6 C15 1.877(2) . ?
C20 O2 1.457(3) . ?
C20 C19 1.470(4) . ?
C20 H63 0.9900 . ?
C20 H62 0.9900 . ?
O1 C25 1.420(3) . ?
O1 C24 1.428(3) . ?
C1 H1 0.9800 . ?
C1 H3 0.9800 . ?
C1 H2 0.9800 . ?
C2 H6 0.9800 . ?
C2 H4 0.9800 . ?
C2 H5 0.9800 . ?
C3 H7 0.9800 . ?
C3 H9 0.9800 . ?
C3 H8 0.9800 . ?
C4 H11 0.9800 . ?
C4 H10 0.9800 . ?
C4 H12 0.9800 . ?
C5 H13 0.9800 . ?
C5 H15 0.9800 . ?
C5 H14 0.9800 . ?
C6 H18 0.9800 . ?
C6 H17 0.9800 . ?
C6 H16 0.9800 . ?
C7 H20 0.9800 . ?
C7 H19 0.9800 . ?
C7 H21 0.9800 . ?
C8 H22 0.9800 . ?
C8 H24 0.9800 . ?
C8 H23 0.9800 . ?
C9 H25 0.9800 . ?
C9 H26 0.9800 . ?
C9 H27 0.9800 . ?
C10 H30 0.9800 . ?
C10 H29 0.9800 . ?
C10 H28 0.9800 . ?
C11 H31 0.9800 . ?
C11 H32 0.9800 . ?
C11 H33 0.9800 . ?
C12 H36 0.9800 . ?
C12 H34 0.9800 . ?
C12 H35 0.9800 . ?
C13 H37 0.9800 . ?
C13 H38 0.9800 . ?
C13 H39 0.9800 . ?
C14 H41 0.9800 . ?
C14 H40 0.9800 . ?
C14 H42 0.9800 . ?
C15 H43 0.9800 . ?
C15 H44 0.9800 . ?
C15 H45 0.9800 . ?
C16 H47 0.9800 . ?
C16 H46 0.9800 . ?
C16 H48 0.9800 . ?
C17 K1 3.282(2) 3_766 ?
C17 H17A 0.91(3) . ?
C17 H17B 0.99(3) . ?
C17 H17C 0.93(3) . ?
C18 H53 0.9800 . ?
C18 H52 0.9800 . ?
C18 H54 0.9800 . ?
C19 H64 0.9800 . ?
C19 H55 0.9800 . ?
C19 H57 0.9800 . ?
O2 C21 1.415(3) . ?
C21 C22 1.512(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H60 0.9800 . ?
C22 H56 0.9800 . ?
C22 H59 0.9800 . ?
C23 C24 1.507(3) . ?
C23 H65 0.9800 . ?
C23 H75 0.9800 . ?
C23 H67 0.9800 . ?
C24 H68 0.9900 . ?
C24 H69 0.9900 . ?
C25 C26 1.491(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H71 0.9800 . ?
C26 H66 0.9800 . ?
C26 H70 0.9800 . ?

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
N1 U1 N2 107.99(5) . . ?
N1 U1 N3 123.15(5) . . ?
N2 U1 N3 101.21(5) . . ?
N1 U1 S1 105.73(4) . . ?
N2 U1 S1 98.58(4) . . ?
N3 U1 S1 116.86(4) . . ?
N1 U1 S2 88.89(4) . . ?
N2 U1 S2 143.88(4) . . ?
N3 U1 S2 95.11(4) . . ?
S1 U1 S2 45.447(14) . . ?
S1 S2 U1 66.111(17) . . ?
S1 S2 K1 65.643(18) . . ?
U1 S2 K1 116.165(17) . . ?
S1 S2 K1 68.96(2) . 3_766 ?
U1 S2 K1 117.178(17) . 3_766 ?
K1 S2 K1 79.977(15) . 3_766 ?
S2 S1 U1 68.442(17) . . ?
S2 S1 K1 77.29(2) . . ?
U1 S1 K1 125.544(19) . . ?
S2 S1 K1 74.72(2) . 3_766 ?
U1 S1 K1 122.422(18) . 3_766 ?
K1 S1 K1 85.021(16) . 3_766 ?
O1 K1 O2 121.19(5) . . ?
O1 K1 S1 118.44(3) . . ?
O2 K1 S1 103.86(3) . . ?
O1 K1 C17 91.39(5) . 3_766 ?
O2 K1 C17 69.92(5) . 3_766 ?
S1 K1 C17 145.77(4) . 3_766 ?
O1 K1 S1 79.67(3) . 3_766 ?
O2 K1 S1 137.24(3) . 3_766 ?
S1 K1 S1 94.979(16) . 3_766 ?
C17 K1 S1 72.96(4) 3_766 3_766 ?
O1 K1 S2 81.51(3) . . ?
O2 K1 S2 131.31(3) . . ?
S1 K1 S2 37.072(13) . . ?
C17 K1 S2 158.05(4) 3_766 . ?
S1 K1 S2 85.306(15) 3_766 . ?
O1 K1 S2 114.53(3) . 3_766 ?
O2 K1 S2 106.07(3) . 3_766 ?
S1 K1 S2 87.067(16) . 3_766 ?
C17 K1 S2 64.03(4) 3_766 3_766 ?
S1 K1 S2 36.317(12) 3_766 3_766 ?
S2 K1 S2 100.021(15) . 3_766 ?
O1 K1 K1 102.09(3) . 3_766 ?
O2 K1 K1 136.72(4) . 3_766 ?
S1 K1 K1 48.799(12) . 3_766 ?
C17 K1 K1 112.17(4) 3_766 3_766 ?
S1 K1 K1 46.179(12) 3_766 3_766 ?
S2 K1 K1 50.234(12) . 3_766 ?
S2 K1 K1 49.788(12) 3_766 3_766 ?
N1 Si1 C1 111.00(9) . . ?
N1 Si1 C6 112.10(8) . . ?
C1 Si1 C6 106.67(10) . . ?
N1 Si1 C5 112.90(8) . . ?
C1 Si1 C5 108.00(9) . . ?
C6 Si1 C5 105.82(10) . . ?
N1 Si2 C3 111.79(9) . . ?
N1 Si2 C4 110.29(8) . . ?
C3 Si2 C4 109.54(10) . . ?
N1 Si2 C2 114.39(9) . . ?
C3 Si2 C2 105.74(10) . . ?
C4 Si2 C2 104.75(10) . . ?
N2 Si3 C7 111.32(8) . . ?
N2 Si3 C8 111.59(9) . . ?
C7 Si3 C8 107.52(9) . . ?
N2 Si3 C12 113.95(8) . . ?
C7 Si3 C12 104.39(9) . . ?
C8 Si3 C12 107.63(9) . . ?
N2 Si4 C10 113.60(8) . . ?
N2 Si4 C11 111.80(8) . . ?
C10 Si4 C11 106.91(9) . . ?
N2 Si4 C9 114.31(8) . . ?
C10 Si4 C9 105.06(9) . . ?
C11 Si4 C9 104.40(9) . . ?
N3 Si5 C18 115.16(9) . . ?
N3 Si5 C13 112.30(9) . . ?
C18 Si5 C13 108.20(11) . . ?
N3 Si5 C14 108.54(8) . . ?
C18 Si5 C14 102.96(10) . . ?
C13 Si5 C14 109.17(10) . . ?
N3 Si6 C17 111.73(9) . . ?
N3 Si6 C16 111.50(9) . . ?
C17 Si6 C16 109.02(10) . . ?
N3 Si6 C15 114.87(10) . . ?
C17 Si6 C15 102.92(11) . . ?
C16 Si6 C15 106.27(13) . . ?
Si2 N1 Si1 118.76(9) . . ?
Si2 N1 U1 121.87(8) . . ?
Si1 N1 U1 117.60(8) . . ?
Si4 N2 Si3 115.50(8) . . ?
Si4 N2 U1 128.82(8) . . ?
Si3 N2 U1 115.55(7) . . ?
Si5 N3 Si6 119.86(8) . . ?
Si5 N3 U1 114.10(7) . . ?
Si6 N3 U1 126.03(8) . . ?
O2 C20 C19 116.1(2) . . ?
O2 C20 H63 108.3 . . ?
C19 C20 H63 108.3 . . ?
O2 C20 H62 108.3 . . ?
C19 C20 H62 108.3 . . ?
H63 C20 H62 107.4 . . ?
C25 O1 C24 113.45(16) . . ?
C25 O1 K1 129.08(13) . . ?
C24 O1 K1 117.44(12) . . ?
Si1 C1 H1 109.5 . . ?
Si1 C1 H3 109.5 . . ?
H1 C1 H3 109.5 . . ?
Si1 C1 H2 109.5 . . ?
H1 C1 H2 109.5 . . ?
H3 C1 H2 109.5 . . ?
Si2 C2 H6 109.5 . . ?
Si2 C2 H4 109.5 . . ?
H6 C2 H4 109.5 . . ?
Si2 C2 H5 109.5 . . ?
H6 C2 H5 109.5 . . ?
H4 C2 H5 109.5 . . ?
Si2 C3 H7 109.5 . . ?
Si2 C3 H9 109.5 . . ?
H7 C3 H9 109.5 . . ?
Si2 C3 H8 109.5 . . ?
H7 C3 H8 109.5 . . ?
H9 C3 H8 109.5 . . ?
Si2 C4 H11 109.5 . . ?
Si2 C4 H10 109.5 . . ?
H11 C4 H10 109.5 . . ?
Si2 C4 H12 109.5 . . ?
H11 C4 H12 109.5 . . ?
H10 C4 H12 109.5 . . ?
Si1 C5 H13 109.5 . . ?
Si1 C5 H15 109.5 . . ?
H13 C5 H15 109.5 . . ?
Si1 C5 H14 109.5 . . ?
H13 C5 H14 109.5 . . ?
H15 C5 H14 109.5 . . ?
Si1 C6 H18 109.5 . . ?
Si1 C6 H17 109.5 . . ?
H18 C6 H17 109.5 . . ?
Si1 C6 H16 109.5 . . ?
H18 C6 H16 109.5 . . ?
H17 C6 H16 109.5 . . ?
Si3 C7 H20 109.5 . . ?
Si3 C7 H19 109.5 . . ?
H20 C7 H19 109.5 . . ?
Si3 C7 H21 109.5 . . ?
H20 C7 H21 109.5 . . ?
H19 C7 H21 109.5 . . ?
Si3 C8 H22 109.5 . . ?
Si3 C8 H24 109.5 . . ?
H22 C8 H24 109.5 . . ?
Si3 C8 H23 109.5 . . ?
H22 C8 H23 109.5 . . ?
H24 C8 H23 109.5 . . ?
Si4 C9 H25 109.5 . . ?
Si4 C9 H26 109.5 . . ?
H25 C9 H26 109.5 . . ?
Si4 C9 H27 109.5 . . ?
H25 C9 H27 109.5 . . ?
H26 C9 H27 109.5 . . ?
Si4 C10 H30 109.5 . . ?
Si4 C10 H29 109.5 . . ?
H30 C10 H29 109.5 . . ?
Si4 C10 H28 109.5 . . ?
H30 C10 H28 109.5 . . ?
H29 C10 H28 109.5 . . ?
Si4 C11 H31 109.5 . . ?
Si4 C11 H32 109.5 . . ?
H31 C11 H32 109.5 . . ?
Si4 C11 H33 109.5 . . ?
H31 C11 H33 109.5 . . ?
H32 C11 H33 109.5 . . ?
Si3 C12 H36 109.5 . . ?
Si3 C12 H34 109.5 . . ?
H36 C12 H34 109.5 . . ?
Si3 C12 H35 109.5 . . ?
H36 C12 H35 109.5 . . ?
H34 C12 H35 109.5 . . ?
Si5 C13 H37 109.5 . . ?
Si5 C13 H38 109.5 . . ?
H37 C13 H38 109.5 . . ?
Si5 C13 H39 109.5 . . ?
H37 C13 H39 109.5 . . ?
H38 C13 H39 109.5 . . ?
Si5 C14 H41 109.5 . . ?
Si5 C14 H40 109.5 . . ?
H41 C14 H40 109.5 . . ?
Si5 C14 H42 109.5 . . ?
H41 C14 H42 109.5 . . ?
H40 C14 H42 109.5 . . ?
Si6 C15 H43 109.5 . . ?
Si6 C15 H44 109.5 . . ?
H43 C15 H44 109.5 . . ?
Si6 C15 H45 109.5 . . ?
H43 C15 H45 109.5 . . ?
H44 C15 H45 109.5 . . ?
Si6 C16 H47 109.5 . . ?
Si6 C16 H46 109.5 . . ?
H47 C16 H46 109.5 . . ?
Si6 C16 H48 109.5 . . ?
H47 C16 H48 109.5 . . ?
H46 C16 H48 109.5 . . ?
Si6 C17 K1 142.29(10) . 3_766 ?
Si6 C17 H17A 111.8(16) . . ?
K1 C17 H17A 46.6(15) 3_766 . ?
Si6 C17 H17B 111.0(14) . . ?
K1 C17 H17B 105.5(14) 3_766 . ?
H17A C17 H17B 107(2) . . ?
Si6 C17 H17C 107.8(16) . . ?
K1 C17 H17C 65.7(16) 3_766 . ?
H17A C17 H17C 109(2) . . ?
H17B C17 H17C 111(2) . . ?
Si5 C18 H53 109.5 . . ?
Si5 C18 H52 109.5 . . ?
H53 C18 H52 109.5 . . ?
Si5 C18 H54 109.5 . . ?
H53 C18 H54 109.5 . . ?
H52 C18 H54 109.5 . . ?
C20 C19 H64 109.5 . . ?
C20 C19 H55 109.5 . . ?
H64 C19 H55 109.5 . . ?
C20 C19 H57 109.5 . . ?
H64 C19 H57 109.5 . . ?
H55 C19 H57 109.5 . . ?
C21 O2 C20 113.53(18) . . ?
C21 O2 K1 116.57(13) . . ?
C20 O2 K1 128.92(14) . . ?
O2 C21 C22 109.27(19) . . ?
O2 C21 H21A 109.8 . . ?
C22 C21 H21A 109.8 . . ?
O2 C21 H21B 109.8 . . ?
C22 C21 H21B 109.8 . . ?
H21A C21 H21B 108.3 . . ?
C21 C22 H60 109.5 . . ?
C21 C22 H56 109.5 . . ?
H60 C22 H56 109.5 . . ?
C21 C22 H59 109.5 . . ?
H60 C22 H59 109.5 . . ?
H56 C22 H59 109.5 . . ?
C24 C23 H65 109.5 . . ?
C24 C23 H75 109.5 . . ?
H65 C23 H75 109.5 . . ?
C24 C23 H67 109.5 . . ?
H65 C23 H67 109.5 . . ?
H75 C23 H67 109.5 . . ?
O1 C24 C23 113.55(18) . . ?
O1 C24 H68 108.9 . . ?
C23 C24 H68 108.9 . . ?
O1 C24 H69 108.9 . . ?
C23 C24 H69 108.9 . . ?
H68 C24 H69 107.7 . . ?
O1 C25 C26 109.37(19) . . ?
O1 C25 H25A 109.8 . . ?
C26 C25 H25A 109.8 . . ?
O1 C25 H25B 109.8 . . ?
C26 C25 H25B 109.8 . . ?
H25A C25 H25B 108.2 . . ?
C25 C26 H71 109.5 . . ?
C25 C26 H66 109.5 . . ?
H71 C26 H66 109.5 . . ?
C25 C26 H70 109.5 . . ?
H71 C26 H70 109.5 . . ?
H66 C26 H70 109.5 . . ?

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
N1 U1 S2 S1 113.55(4) . . . . ?
N2 U1 S2 S1 -6.28(7) . . . . ?
N3 U1 S2 S1 -123.26(4) . . . . ?
N1 U1 S2 K1 69.62(4) . . . . ?
N2 U1 S2 K1 -50.21(7) . . . . ?
N3 U1 S2 K1 -167.19(4) . . . . ?
S1 U1 S2 K1 -43.932(19) . . . . ?
N1 U1 S2 K1 161.58(4) . . . 3_766 ?
N2 U1 S2 K1 41.75(7) . . . 3_766 ?
N3 U1 S2 K1 -75.23(4) . . . 3_766 ?
S1 U1 S2 K1 48.03(2) . . . 3_766 ?
K1 S2 S1 U1 136.878(16) . . . . ?
K1 S2 S1 U1 -134.874(15) 3_766 . . . ?
U1 S2 S1 K1 -136.878(16) . . . . ?
K1 S2 S1 K1 88.248(14) 3_766 . . . ?
U1 S2 S1 K1 134.874(15) . . . 3_766 ?
K1 S2 S1 K1 -88.248(14) . . . 3_766 ?
N1 U1 S1 S2 -72.21(4) . . . . ?
N2 U1 S1 S2 176.26(4) . . . . ?
N3 U1 S1 S2 69.00(5) . . . . ?
N1 U1 S1 K1 -17.18(5) . . . . ?
N2 U1 S1 K1 -128.71(4) . . . . ?
N3 U1 S1 K1 124.03(5) . . . . ?
S2 U1 S1 K1 55.03(2) . . . . ?
N1 U1 S1 K1 -126.29(4) . . . 3_766 ?
N2 U1 S1 K1 122.18(4) . . . 3_766 ?
N3 U1 S1 K1 14.92(5) . . . 3_766 ?
S2 U1 S1 K1 -54.08(2) . . . 3_766 ?
S2 S1 K1 O1 5.51(4) . . . . ?
U1 S1 K1 O1 -45.87(4) . . . . ?
K1 S1 K1 O1 80.94(4) 3_766 . . . ?
S2 S1 K1 O2 143.26(4) . . . . ?
U1 S1 K1 O2 91.87(4) . . . . ?
K1 S1 K1 O2 -141.31(4) 3_766 . . . ?
S2 S1 K1 C17 -142.17(7) . . . 3_766 ?
U1 S1 K1 C17 166.45(7) . . . 3_766 ?
K1 S1 K1 C17 -66.74(7) 3_766 . . 3_766 ?
S2 S1 K1 S1 -75.43(2) . . . 3_766 ?
U1 S1 K1 S1 -126.81(3) . . . 3_766 ?
K1 S1 K1 S1 0.0 3_766 . . 3_766 ?
U1 S1 K1 S2 -51.38(2) . . . . ?
K1 S1 K1 S2 75.43(2) 3_766 . . . ?
S2 S1 K1 S2 -110.908(19) . . . 3_766 ?
U1 S1 K1 S2 -162.29(2) . . . 3_766 ?
K1 S1 K1 S2 -35.478(12) 3_766 . . 3_766 ?
S2 S1 K1 K1 -75.43(2) . . . 3_766 ?
U1 S1 K1 K1 -126.81(3) . . . 3_766 ?
S1 S2 K1 O1 -175.10(4) . . . . ?
U1 S2 K1 O1 -130.97(3) . . . . ?
K1 S2 K1 O1 113.57(3) 3_766 . . . ?
S1 S2 K1 O2 -50.64(5) . . . . ?
U1 S2 K1 O2 -6.51(5) . . . . ?
K1 S2 K1 O2 -121.97(5) 3_766 . . . ?
U1 S2 K1 S1 44.135(19) . . . . ?
K1 S2 K1 S1 -71.33(2) 3_766 . . . ?
S1 S2 K1 C17 112.64(11) . . . 3_766 ?
U1 S2 K1 C17 156.77(11) . . . 3_766 ?
K1 S2 K1 C17 41.31(11) 3_766 . . 3_766 ?
S1 S2 K1 S1 104.66(2) . . . 3_766 ?
U1 S2 K1 S1 148.798(18) . . . 3_766 ?
K1 S2 K1 S1 33.333(11) 3_766 . . 3_766 ?
S1 S2 K1 S2 71.33(2) . . . 3_766 ?
U1 S2 K1 S2 115.47(2) . . . 3_766 ?
K1 S2 K1 S2 0.0 3_766 . . 3_766 ?
S1 S2 K1 K1 71.33(2) . . . 3_766 ?
U1 S2 K1 K1 115.47(2) . . . 3_766 ?
C3 Si2 N1 Si1 -86.17(11) . . . . ?
C4 Si2 N1 Si1 151.71(10) . . . . ?
C2 Si2 N1 Si1 33.96(13) . . . . ?
C3 Si2 N1 U1 109.33(10) . . . . ?
C4 Si2 N1 U1 -12.80(12) . . . . ?
C2 Si2 N1 U1 -130.55(10) . . . . ?
C1 Si1 N1 Si2 -70.63(12) . . . . ?
C6 Si1 N1 Si2 170.20(10) . . . . ?
C5 Si1 N1 Si2 50.79(12) . . . . ?
C1 Si1 N1 U1 94.54(10) . . . . ?
C6 Si1 N1 U1 -24.64(11) . . . . ?
C5 Si1 N1 U1 -144.04(9) . . . . ?
N2 U1 N1 Si2 -129.68(8) . . . . ?
N3 U1 N1 Si2 -12.54(11) . . . . ?
S1 U1 N1 Si2 125.58(8) . . . . ?
S2 U1 N1 Si2 82.84(8) . . . . ?
N2 U1 N1 Si1 65.64(9) . . . . ?
N3 U1 N1 Si1 -177.22(7) . . . . ?
S1 U1 N1 Si1 -39.09(9) . . . . ?
S2 U1 N1 Si1 -81.83(8) . . . . ?
C10 Si4 N2 Si3 -73.26(11) . . . . ?
C11 Si4 N2 Si3 47.84(11) . . . . ?
C9 Si4 N2 Si3 166.17(9) . . . . ?
C10 Si4 N2 U1 111.18(11) . . . . ?
C11 Si4 N2 U1 -127.72(10) . . . . ?
C9 Si4 N2 U1 -9.38(13) . . . . ?
C7 Si3 N2 Si4 154.61(9) . . . . ?
C8 Si3 N2 Si4 -85.27(11) . . . . ?
C12 Si3 N2 Si4 36.89(12) . . . . ?
C7 Si3 N2 U1 -29.23(10) . . . . ?
C8 Si3 N2 U1 90.89(10) . . . . ?
C12 Si3 N2 U1 -146.95(8) . . . . ?
N1 U1 N2 Si4 24.73(11) . . . . ?
N3 U1 N2 Si4 -105.84(10) . . . . ?
S1 U1 N2 Si4 134.44(9) . . . . ?
S2 U1 N2 Si4 138.97(7) . . . . ?
N1 U1 N2 Si3 -150.82(7) . . . . ?
N3 U1 N2 Si3 78.61(8) . . . . ?
S1 U1 N2 Si3 -41.11(7) . . . . ?
S2 U1 N2 Si3 -36.59(11) . . . . ?
C18 Si5 N3 Si6 -39.71(14) . . . . ?
C13 Si5 N3 Si6 84.74(12) . . . . ?
C14 Si5 N3 Si6 -154.47(10) . . . . ?
C18 Si5 N3 U1 141.27(10) . . . . ?
C13 Si5 N3 U1 -94.28(10) . . . . ?
C14 Si5 N3 U1 26.51(10) . . . . ?
C17 Si6 N3 Si5 -138.08(10) . . . . ?
C16 Si6 N3 Si5 99.64(12) . . . . ?
C15 Si6 N3 Si5 -21.33(15) . . . . ?
C17 Si6 N3 U1 40.81(13) . . . . ?
C16 Si6 N3 U1 -81.47(13) . . . . ?
C15 Si6 N3 U1 157.57(12) . . . . ?
N1 U1 N3 Si5 -69.58(9) . . . . ?
N2 U1 N3 Si5 50.78(9) . . . . ?
S1 U1 N3 Si5 156.49(6) . . . . ?
S2 U1 N3 Si5 -161.60(7) . . . . ?
N1 U1 N3 Si6 111.47(10) . . . . ?
N2 U1 N3 Si6 -128.17(9) . . . . ?
S1 U1 N3 Si6 -22.46(11) . . . . ?
S2 U1 N3 Si6 19.45(9) . . . . ?
O2 K1 O1 C25 6.73(19) . . . . ?
S1 K1 O1 C25 136.99(16) . . . . ?
C17 K1 O1 C25 -60.52(17) 3_766 . . . ?
S1 K1 O1 C25 -132.92(17) 3_766 . . . ?
S2 K1 O1 C25 140.34(17) . . . . ?
S2 K1 O1 C25 -122.46(17) 3_766 . . . ?
K1 K1 O1 C25 -173.56(17) 3_766 . . . ?
O2 K1 O1 C24 -175.10(12) . . . . ?
S1 K1 O1 C24 -44.84(13) . . . . ?
C17 K1 O1 C24 117.65(13) 3_766 . . . ?
S1 K1 O1 C24 45.25(12) 3_766 . . . ?
S2 K1 O1 C24 -41.49(12) . . . . ?
S2 K1 O1 C24 55.71(13) 3_766 . . . ?
K1 K1 O1 C24 4.61(13) 3_766 . . . ?
N3 Si6 C17 K1 -77.88(17) . . . 3_766 ?
C16 Si6 C17 K1 45.81(18) . . . 3_766 ?
C15 Si6 C17 K1 158.34(16) . . . 3_766 ?
C19 C20 O2 C21 72.1(3) . . . . ?
C19 C20 O2 K1 -96.1(2) . . . . ?
O1 K1 O2 C21 -162.74(13) . . . . ?
S1 K1 O2 C21 60.98(14) . . . . ?
C17 K1 O2 C21 -83.75(14) 3_766 . . . ?
S1 K1 O2 C21 -52.50(16) 3_766 . . . ?
S2 K1 O2 C21 89.67(14) . . . . ?
S2 K1 O2 C21 -29.95(14) 3_766 . . . ?
K1 K1 O2 C21 17.67(16) 3_766 . . . ?
O1 K1 O2 C20 5.12(19) . . . . ?
S1 K1 O2 C20 -131.15(17) . . . . ?
C17 K1 O2 C20 84.12(18) 3_766 . . . ?
S1 K1 O2 C20 115.37(17) 3_766 . . . ?
S2 K1 O2 C20 -102.46(18) . . . . ?
S2 K1 O2 C20 137.92(17) 3_766 . . . ?
K1 K1 O2 C20 -174.46(16) 3_766 . . . ?
C20 O2 C21 C22 170.4(2) . . . . ?
K1 O2 C21 C22 -19.9(2) . . . . ?
C25 O1 C24 C23 -71.9(2) . . . . ?
K1 O1 C24 C23 109.67(18) . . . . ?
C24 O1 C25 C26 -167.70(18) . . . . ?
K1 O1 C25 C26 10.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.41
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.073
_chemical_properties_physical    Air-sensitive
