#------------------------------------------------------------------------------
#$Date: 2022-12-09 09:49:53 +0200 (Fri, 09 Dec 2022) $
#$Revision: 279817 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/19/1551965.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_1551965
loop_
_publ_author_name
'Benedict M. Gardner'
'Gabor Balazs'
'Manfred Scheer'
'Floriana Tuna'
'Eric J. L. McInnes'
'Jonathan McMaster'
'William Lewis'
'Alexander J. Blake'
'Stephen T. Liddle'
_publ_section_title
;
 Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and
 threefold U-As bonding interactions
;
_journal_name_full               'Nature Chemistry'
_journal_page_first              582
_journal_page_last               590
_journal_paper_doi               10.1038/nchem.2279
_journal_volume                  7
_journal_year                    2015
_chemical_formula_moiety         'C44 H75 As K2 N4 Si3 U, 5/4(C6 H6)'
_chemical_formula_sum            'C40.4 H82.5 As K2 N4 Si3 U'
_chemical_formula_weight         1101.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   'geom, Me from difmap'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 97.2734(9)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   17.84985(19)
_cell_length_b                   34.2192(3)
_cell_length_c                   32.8697(3)
_cell_measurement_temperature    120(2)
_cell_volume                     19915.5(3)
_computing_cell_refinement
;

CrysAlisPro, Agilent Technologies,

Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)

(compiled Mar 27 2014,17:12:48)

;
_computing_data_collection
;

CrysAlisPro, Agilent Technologies,

Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)

(compiled Mar 27 2014,17:12:48)

;
_computing_data_reduction
;

CrysAlisPro, Agilent Technologies,

Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)

(compiled Mar 27 2014,17:12:48)

;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 10.6296
_diffrn_detector_type            'Agilent Diffraction Atlas detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       'k-geometry diffractometer'
_diffrn_measurement_device_type  'GV1000, Atlas'
_diffrn_measurement_method       'w scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuKa
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1087
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            254309
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.315
_diffrn_reflns_theta_min         2.685
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_target            Cu
_diffrn_source_type              'Agilent Diffraction microfocus tube'
_exptl_absorpt_coefficient_mu    12.301
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;

CrysAlisPro, Agilent Technologies,

Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)

(compiled Mar 27 2014,17:12:48).

Numerical absorption correction based on gaussian integration over

a multifaceted crystal model.

Empirical absorption correction using spherical harmonics,

implemented in SCALE3 ABSPACK scaling algorithm.

;
_exptl_crystal_colour            'dark brown'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       block
_exptl_crystal_F_000             8936
_exptl_crystal_size_max          0.4068
_exptl_crystal_size_mid          0.3045
_exptl_crystal_size_min          0.2171
_refine_diff_density_max         14.993
_refine_diff_density_min         -6.455
_refine_diff_density_rms         0.362
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1755
_refine_ls_number_reflns         40034
_refine_ls_number_restraints     2793
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1293
_refine_ls_R_factor_gt           0.1266
_refine_ls_shift/su_max          0.092
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[s²(Fo²)+(0.1685P)²+875.8348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3242
_refine_ls_wR_factor_ref         0.3264
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                37904
_reflns_number_total             40034
_reflns_threshold_expression     'I > 2s(I)'
_cod_data_source_file            nchem.2279-s5.cif
_cod_data_source_block           4
_cod_depositor_comments
;

2022-12-09
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C162 H330 As4 K8 N16 Si12 U4'
_cod_original_formula_weight         4404.08
_cod_original_formula_moiety         'C132 H300 As4 K8 N16 Si12 U4, 5(C6 H6)'
_cod_original_formula_units_Z            4
_cod_database_code               1551965
_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.

;
_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

 H10f-H91b

 -2.2 with sigma of 0.01

 H85b-H86b

 -2.2 with sigma of 0.01

 C117-C118

 -1.5 with sigma of 0.01

 C142-C141 sim C140-C141 sim C140-C139 sim C139-C144 sim C144-C143

sim C142-C143

 with sigma of 0.001

 C141-C143 sim C143-C139

 with sigma of 0.001

 C142-C144 sim C144-C140

 with sigma of 0.001

 C136-C137 sim C138-C137 sim C138-C133 sim C133-C134 sim C135-C134

sim C135-C136

 with sigma of 0.001

 C156-C155 sim C156-C151 sim C152-C151 sim C153-C152 sim C154-C153

sim C155-C154

 with sigma of 0.001

 C144-C139 sim C140-C139 sim C141-C140 sim C142-C141 sim C143-C142

sim C144-C143

 with sigma of 0.001

3. Restrained planarity

 C143, C144, C139, C140, C141, C142

 with sigma of 0.1

4. Uiso/Uaniso restraints and constraints

All non-hydrogen atoms have similar U: within 2A with sigma of 0.003 and sigma

for terminal atoms of 0.006

Uanis(K4) sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01

5. Rigid body (RIGU) restrains

 All non-hydrogen atoms

 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004

6. Others

 Sof(K2A)=1-FVAR(1)

 Sof(K2)=FVAR(1)

 Sof(K6A)=1-FVAR(2)

 Sof(K6)=FVAR(2)

7.a Ternary CH refined with riding coordinates:

 C1(H1), C4(H4), C7(H7), C12(H12), C15(H15), C18(H18), C23(H23), C26(H26),

 C29(H29), C34(H34), C37(H37), C40(H40), C45(H45), C48(H48), C51(H51), C56(H56),

  C59(H59), C62(H62), C67(H67), C70(H70), C73(H73), C78(H78), C81(H81),

 C84(H84), C89(H89), C92(H92), C95(H95), C100(H100), C103(H103), C106(H106),

 C111(H111), C114(H114), C117(H117), C122(H122), C125(H125), C128(H128)

7.b Secondary CH2 refined with riding coordinates:

 C10(H10a,H10b), C11(H11a,H11b), C21(H21a,H21b), C22(H22a,H22b), C32(H32a,

 H32b), C33(H33a,H33b), C43(H43a,H43b), C44(H44a,H44b), C54(H54a,H54b),

 C55(H55a,H55b), C65(H65a,H65b), C66(H66a,H66b), C76(H76a,H76b), C77(H77a,H77b),

  C87(H87a,H87b), C88(H88a,H88b), C98(H98a,H98b), C99(H99a,H99b), C109(H10u,

 H10v), C110(H11c,H11d), C120(H12a,H12b), C121(H12c,H12d), C131(H13g,H13h),

 C132(H13i,H13j)

7.c Aromatic/amide H refined with riding coordinates:

 C133(H133), C134(H134), C135(H135), C136(H136), C137(H137), C138(H138),

 C143(H143), C142(H142), C141(H141), C140(H140), C139(H139), C144(H144),

 C156(H156), C155(H155), C154(H154), C153(H153), C152(H152), C151(H151)

7.d Fitted hexagon refined as free rotating group:

 C143(C142,C141,C140,C139,C144), C156(C155,C154,C153,C152,C151)

7.e Idealised Me refined as rotating group:

 C2(H2a,H2b,H2c), C3(H3a,H3b,H3c), C5(H5a,H5b,H5c), C6(H6a,H6b,H6c), C8(H8a,

 H8b,H8c), C9(H9a,H9b,H9c), C13(H13a,H13b,H13c), C14(H14a,H14b,H14c), C16(H16a,

 H16b,H16c), C17(H17a,H17b,H17c), C19(H19a,H19b,H19c), C20(H20a,H20b,H20c),

 C24(H24a,H24b,H24c), C25(H25a,H25b,H25c), C27(H27a,H27b,H27c), C28(H28a,H28b,

 H28c), C30(H30a,H30b,H30c), C31(H31a,H31b,H31c), C35(H35a,H35b,H35c), C36(H36a,

 H36b,H36c), C38(H38a,H38b,H38c), C39(H39a,H39b,H39c), C41(H41a,H41b,H41c),

 C42(H42a,H42b,H42c), C46(H46a,H46b,H46c), C47(H47a,H47b,H47c), C49(H49a,H49b,

 H49c), C50(H50a,H50b,H50c), C52(H52a,H52b,H52c), C53(H53a,H53b,H53c), C57(H57a,

 H57b,H57c), C58(H58a,H58b,H58c), C60(H60a,H60b,H60c), C61(H61a,H61b,H61c),

 C63(H63a,H63b,H63c), C64(H64a,H64b,H64c), C68(H68a,H68b,H68c), C69(H69a,H69b,

 H69c), C71(H71a,H71b,H71c), C72(H72a,H72b,H72c), C74(H74a,H74b,H74c), C75(H75a,

 H75b,H75c), C79(H79a,H79b,H79c), C80(H80a,H80b,H80c), C82(H82a,H82b,H82c),

 C83(H83a,H83b,H83c), C85(H85a,H85b,H85c), C86(H86a,H86b,H86c), C90(H90a,H90b,

 H90c), C91(H91a,H91b,H91c), C93(H93a,H93b,H93c), C94(H94a,H94b,H94c), C96(H96a,

 H96b,H96c), C97(H97a,H97b,H97c), C101(H10c,H10d,H10e), C102(H10f,H10g,H10h),

 C104(H10i,H10j,H10k), C105(H10l,H10m,H10n), C107(H10o,H10p,H10q), C108(H10r,

 H10s,H10t), C112(H11e,H11f,H11g), C113(H11h,H11i,H11j), C115(H11k,H11l,H11m),

 C116(H11n,H11o,H11p), C118(H11q,H11r,H11s), C119(H11t,H11u,H11v), C123(H12e,

 H12f,H12g), C124(H12h,H12i,H12j), C126(H12k,H12l,H12m), C127(H12n,H12o,H12p),

 C129(H12q,H12r,H12s), C130(H13d,H13e,H13f)

;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
U1 U 1.11768(3) 0.90362(2) -0.37874(2) 0.02520(13) Uani 1 1 d . . . . .
As1 As 1.06573(12) 0.85725(6) -0.31899(7) 0.0464(5) Uani 1 1 d . . . . .
K1 K 0.9855(3) 0.80277(13) -0.25221(12) 0.0562(10) Uani 1 1 d . . . . .
K2 K 1.1714(7) 0.7818(4) -0.2951(4) 0.105(3) Uani 0.660(13) 1 d . . P A 1
K2A K 1.2070(14) 0.8007(7) -0.2633(8) 0.107(3) Uani 0.340(13) 1 d . . P A 2
N1 N 1.0229(7) 0.9449(3) -0.4087(4) 0.0308(13) Uani 1 1 d . . . . .
Si1 Si 0.9512(2) 0.97117(11) -0.39229(12) 0.0309(7) Uani 1 1 d . . . . .
C1 C 0.8552(9) 0.9485(4) -0.4078(5) 0.0356(15) Uani 1 1 d . . . . .
H1 H 0.8167 0.9676 -0.4005 0.043 Uiso 1 1 calc R . . . .
C2 C 0.8384(10) 0.9408(5) -0.4545(5) 0.041(3) Uani 1 1 d . . . . .
H2A H 0.8800 0.9258 -0.4636 0.061 Uiso 1 1 calc GR . . . .
H2B H 0.8334 0.9658 -0.4691 0.061 Uiso 1 1 calc GR . . . .
H2C H 0.7913 0.9260 -0.4602 0.061 Uiso 1 1 calc GR . . . .
C3 C 0.8436(10) 0.9104(5) -0.3845(6) 0.042(3) Uani 1 1 d . . . . .
H3A H 0.8325 0.9166 -0.3568 0.063 Uiso 1 1 calc GR . . . .
H3B H 0.8895 0.8945 -0.3828 0.063 Uiso 1 1 calc GR . . . .
H3C H 0.8012 0.8958 -0.3991 0.063 Uiso 1 1 calc GR . . . .
C4 C 0.9660(9) 0.9719(4) -0.3342(5) 0.0341(15) Uani 1 1 d . . . . .
H4 H 0.9585 0.9444 -0.3255 0.041 Uiso 1 1 calc R . . . .
C5 C 0.9031(10) 0.9961(5) -0.3174(5) 0.041(2) Uani 1 1 d . . . . .
H5A H 0.9040 0.9910 -0.2880 0.061 Uiso 1 1 calc GR . . . .
H5B H 0.8538 0.9886 -0.3319 0.061 Uiso 1 1 calc GR . . . .
H5C H 0.9117 1.0240 -0.3217 0.061 Uiso 1 1 calc GR . . . .
C6 C 1.0421(9) 0.9836(5) -0.3136(5) 0.037(2) Uani 1 1 d . . . . .
H6A H 1.0529 1.0106 -0.3211 0.055 Uiso 1 1 calc GR . . . .
H6B H 1.0806 0.9661 -0.3223 0.055 Uiso 1 1 calc GR . . . .
H6C H 1.0428 0.9819 -0.2838 0.055 Uiso 1 1 calc GR . . . .
C7 C 0.9456(9) 1.0234(4) -0.4147(5) 0.0331(15) Uani 1 1 d . . . . .
H7 H 0.9558 1.0207 -0.4438 0.040 Uiso 1 1 calc R . . . .
C8 C 0.8689(9) 1.0426(4) -0.4167(5) 0.037(2) Uani 1 1 d . . . . .
H8A H 0.8571 1.0473 -0.3888 0.056 Uiso 1 1 calc GR . . . .
H8B H 0.8305 1.0253 -0.4311 0.056 Uiso 1 1 calc GR . . . .
H8C H 0.8694 1.0675 -0.4313 0.056 Uiso 1 1 calc GR . . . .
C9 C 1.0072(9) 1.0504(4) -0.3940(5) 0.036(2) Uani 1 1 d . . . . .
H9A H 1.0569 1.0390 -0.3962 0.054 Uiso 1 1 calc GR . . . .
H9B H 1.0007 1.0536 -0.3651 0.054 Uiso 1 1 calc GR . . . .
H9C H 1.0035 1.0760 -0.4076 0.054 Uiso 1 1 calc GR . . . .
C10 C 1.0346(9) 0.9503(4) -0.4534(5) 0.0325(15) Uani 1 1 d . . . . .
H10A H 1.0402 0.9244 -0.4663 0.039 Uiso 1 1 calc R . . . .
H10B H 0.9902 0.9635 -0.4685 0.039 Uiso 1 1 calc R . . . .
C11 C 1.1043(9) 0.9743(5) -0.4557(5) 0.0343(15) Uani 1 1 d . . . . .
H11A H 1.1100 0.9801 -0.4847 0.041 Uiso 1 1 calc R . . . .
H11B H 1.1007 0.9994 -0.4410 0.041 Uiso 1 1 calc R . . . .
N2 N 1.2208(8) 0.9395(4) -0.3502(4) 0.0410(14) Uani 1 1 d . . . . .
Si2 Si 1.3009(3) 0.93083(16) -0.31653(15) 0.0466(9) Uani 1 1 d . . . . .
C12 C 1.2951(11) 0.9553(6) -0.2636(6) 0.0510(17) Uani 1 1 d . . . . .
H12 H 1.3463 0.9531 -0.2474 0.061 Uiso 1 1 calc R . . . .
C13 C 1.2764(13) 0.9984(6) -0.2680(6) 0.057(3) Uani 1 1 d . . . . .
H13A H 1.2292 1.0017 -0.2864 0.086 Uiso 1 1 calc GR . . . .
H13B H 1.3173 1.0120 -0.2793 0.086 Uiso 1 1 calc GR . . . .
H13C H 1.2705 1.0093 -0.2410 0.086 Uiso 1 1 calc GR . . . .
C14 C 1.2400(12) 0.9332(7) -0.2401(6) 0.057(3) Uani 1 1 d . . . . .
H14A H 1.2644 0.9096 -0.2279 0.085 Uiso 1 1 calc GR . . . .
H14B H 1.1952 0.9259 -0.2590 0.085 Uiso 1 1 calc GR . . . .
H14C H 1.2249 0.9500 -0.2184 0.085 Uiso 1 1 calc GR . . . .
C15 C 1.3119(11) 0.8768(6) -0.3053(6) 0.0487(16) Uani 1 1 d . . . . .
H15 H 1.2694 0.8695 -0.2896 0.058 Uiso 1 1 calc R . . . .
C16 C 1.3054(11) 0.8502(6) -0.3417(6) 0.051(3) Uani 1 1 d . . . . .
H16A H 1.3507 0.8528 -0.3556 0.076 Uiso 1 1 calc GR . . . .
H16B H 1.2608 0.8574 -0.3608 0.076 Uiso 1 1 calc GR . . . .
H16C H 1.3006 0.8231 -0.3328 0.076 Uiso 1 1 calc GR . . . .
C17 C 1.3849(11) 0.8675(6) -0.2769(6) 0.054(3) Uani 1 1 d . . . . .
H17A H 1.3858 0.8823 -0.2514 0.081 Uiso 1 1 calc GR . . . .
H17B H 1.4286 0.8747 -0.2906 0.081 Uiso 1 1 calc GR . . . .
H17C H 1.3868 0.8394 -0.2707 0.081 Uiso 1 1 calc GR . . . .
C18 C 1.3896(11) 0.9522(6) -0.3375(6) 0.0508(16) Uani 1 1 d . . . . .
H18 H 1.3732 0.9776 -0.3509 0.061 Uiso 1 1 calc R . . . .
C19 C 1.4555(12) 0.9622(7) -0.3045(6) 0.058(3) Uani 1 1 d . . . . .
H19A H 1.4800 0.9380 -0.2937 0.087 Uiso 1 1 calc GR . . . .
H19B H 1.4364 0.9765 -0.2821 0.087 Uiso 1 1 calc GR . . . .
H19C H 1.4923 0.9784 -0.3165 0.087 Uiso 1 1 calc GR . . . .
C20 C 1.4175(11) 0.9282(7) -0.3695(6) 0.056(3) Uani 1 1 d . . . . .
H20A H 1.3767 0.9241 -0.3920 0.085 Uiso 1 1 calc GR . . . .
H20B H 1.4347 0.9029 -0.3579 0.085 Uiso 1 1 calc GR . . . .
H20C H 1.4597 0.9416 -0.3799 0.085 Uiso 1 1 calc GR . . . .
C21 C 1.2152(10) 0.9790(5) -0.3694(5) 0.0395(16) Uani 1 1 d . . . . .
H21A H 1.2536 0.9965 -0.3546 0.047 Uiso 1 1 calc R . . . .
H21B H 1.1647 0.9903 -0.3674 0.047 Uiso 1 1 calc R . . . .
C22 C 1.2278(10) 0.9764(5) -0.4144(5) 0.0383(15) Uani 1 1 d . . . . .
H22A H 1.2263 1.0028 -0.4266 0.046 Uiso 1 1 calc R . . . .
H22B H 1.2781 0.9649 -0.4165 0.046 Uiso 1 1 calc R . . . .
N3 N 1.1552(8) 0.8683(4) -0.4317(4) 0.0378(14) Uani 1 1 d . . . . .
Si3 Si 1.1259(3) 0.82630(13) -0.45913(14) 0.0391(8) Uani 1 1 d . . . . .
C23 C 1.1899(11) 0.7824(5) -0.4419(6) 0.0457(16) Uani 1 1 d . . . . .
H23 H 1.1768 0.7605 -0.4616 0.055 Uiso 1 1 calc R . . . .
C24 C 1.2729(12) 0.7935(6) -0.4433(6) 0.053(3) Uani 1 1 d . . . . .
H24A H 1.2867 0.8152 -0.4244 0.080 Uiso 1 1 calc GR . . . .
H24B H 1.2797 0.8016 -0.4712 0.080 Uiso 1 1 calc GR . . . .
H24C H 1.3052 0.7710 -0.4353 0.080 Uiso 1 1 calc GR . . . .
C25 C 1.1820(12) 0.7683(6) -0.4009(6) 0.053(3) Uani 1 1 d . . . . .
H25A H 1.1350 0.7533 -0.4016 0.080 Uiso 1 1 calc GR . . . .
H25B H 1.1807 0.7905 -0.3822 0.080 Uiso 1 1 calc GR . . . .
H25C H 1.2249 0.7514 -0.3912 0.080 Uiso 1 1 calc GR . . . .
C26 C 1.0282(10) 0.8118(5) -0.4491(5) 0.0410(15) Uani 1 1 d . . . . .
H26 H 1.0329 0.8025 -0.4200 0.049 Uiso 1 1 calc R . . . .
C27 C 0.9699(10) 0.8441(5) -0.4527(5) 0.042(3) Uani 1 1 d . . . . .
H27A H 0.9619 0.8535 -0.4811 0.062 Uiso 1 1 calc GR . . . .
H27B H 0.9878 0.8656 -0.4344 0.062 Uiso 1 1 calc GR . . . .
H27C H 0.9222 0.8340 -0.4451 0.062 Uiso 1 1 calc GR . . . .
C28 C 1.0018(11) 0.7768(5) -0.4757(6) 0.048(3) Uani 1 1 d . . . . .
H28A H 1.0355 0.7546 -0.4684 0.072 Uiso 1 1 calc GR . . . .
H28B H 1.0028 0.7835 -0.5047 0.072 Uiso 1 1 calc GR . . . .
H28C H 0.9502 0.7698 -0.4713 0.072 Uiso 1 1 calc GR . . . .
C29 C 1.1330(10) 0.8339(5) -0.5170(5) 0.0411(15) Uani 1 1 d . . . . .
H29 H 1.1787 0.8504 -0.5188 0.049 Uiso 1 1 calc R . . . .
C30 C 1.1450(11) 0.7957(5) -0.5399(6) 0.047(3) Uani 1 1 d . . . . .
H30A H 1.1103 0.7757 -0.5320 0.071 Uiso 1 1 calc GR . . . .
H30B H 1.1972 0.7868 -0.5327 0.071 Uiso 1 1 calc GR . . . .
H30C H 1.1351 0.8003 -0.5695 0.071 Uiso 1 1 calc GR . . . .
C31 C 1.0648(10) 0.8563(5) -0.5401(5) 0.041(3) Uani 1 1 d . . . . .
H31A H 1.0535 0.8792 -0.5240 0.062 Uiso 1 1 calc GR . . . .
H31B H 1.0206 0.8391 -0.5439 0.062 Uiso 1 1 calc GR . . . .
H31C H 1.0772 0.8648 -0.5669 0.062 Uiso 1 1 calc GR . . . .
C32 C 1.2230(10) 0.8874(5) -0.4458(5) 0.0382(15) Uani 1 1 d . . . . .
H32A H 1.2449 0.8701 -0.4654 0.046 Uiso 1 1 calc R . . . .
H32B H 1.2619 0.8922 -0.4221 0.046 Uiso 1 1 calc R . . . .
C33 C 1.1986(10) 0.9255(5) -0.4664(5) 0.0375(15) Uani 1 1 d . . . . .
H33A H 1.2422 0.9380 -0.4770 0.045 Uiso 1 1 calc R . . . .
H33B H 1.1592 0.9206 -0.4898 0.045 Uiso 1 1 calc R . . . .
N4 N 1.1687(8) 0.9518(4) -0.4368(4) 0.0362(13) Uani 1 1 d . . . . .
U2 U 0.87736(3) 0.90825(2) -0.12387(2) 0.02434(13) Uani 1 1 d . . . . .
As2 As 0.93005(13) 0.85869(6) -0.17998(6) 0.0470(5) Uani 1 1 d . . . . .
K3 K 0.9171(4) 0.8076(2) -0.36211(17) 0.088(2) Uani 1 1 d . . . . .
K4 K 0.9674(6) 0.9120(2) -0.2553(2) 0.113(2) Uani 1 1 d . U . . .
N5 N 0.7772(8) 0.9473(4) -0.1532(4) 0.0408(14) Uani 1 1 d . . . . .
Si4 Si 0.6975(3) 0.94208(15) -0.18683(15) 0.0445(9) Uani 1 1 d . . . . .
C34 C 0.7050(11) 0.9655(6) -0.2397(6) 0.0488(16) Uani 1 1 d . . . . .
H34 H 0.6546 0.9633 -0.2566 0.059 Uiso 1 1 calc R . . . .
C35 C 0.7246(12) 1.0086(6) -0.2348(6) 0.056(3) Uani 1 1 d . . . . .
H35A H 0.7741 1.0114 -0.2184 0.083 Uiso 1 1 calc GR . . . .
H35B H 0.6862 1.0219 -0.2211 0.083 Uiso 1 1 calc GR . . . .
H35C H 0.7262 1.0202 -0.2619 0.083 Uiso 1 1 calc GR . . . .
C36 C 0.7637(12) 0.9435(6) -0.2622(6) 0.055(3) Uani 1 1 d . . . . .
H36A H 0.7401 0.9203 -0.2757 0.082 Uiso 1 1 calc GR . . . .
H36B H 0.8067 0.9357 -0.2424 0.082 Uiso 1 1 calc GR . . . .
H36C H 0.7813 0.9608 -0.2829 0.082 Uiso 1 1 calc GR . . . .
C37 C 0.6792(11) 0.8880(6) -0.1986(5) 0.0465(16) Uani 1 1 d . . . . .
H37 H 0.7201 0.8791 -0.2147 0.056 Uiso 1 1 calc R . . . .
C38 C 0.6829(11) 0.8612(6) -0.1612(6) 0.048(3) Uani 1 1 d . . . . .
H38A H 0.6425 0.8682 -0.1450 0.072 Uiso 1 1 calc GR . . . .
H38B H 0.7319 0.8643 -0.1444 0.072 Uiso 1 1 calc GR . . . .
H38C H 0.6767 0.8340 -0.1703 0.072 Uiso 1 1 calc GR . . . .
C39 C 0.6048(11) 0.8817(6) -0.2261(6) 0.051(3) Uani 1 1 d . . . . .
H39A H 0.6042 0.8975 -0.2510 0.076 Uiso 1 1 calc GR . . . .
H39B H 0.5628 0.8896 -0.2114 0.076 Uiso 1 1 calc GR . . . .
H39C H 0.5995 0.8541 -0.2335 0.076 Uiso 1 1 calc GR . . . .
C40 C 0.6134(11) 0.9663(6) -0.1651(6) 0.0481(16) Uani 1 1 d . . . . .
H40 H 0.6318 0.9915 -0.1520 0.058 Uiso 1 1 calc R . . . .
C41 C 0.5801(11) 0.9423(6) -0.1327(6) 0.052(3) Uani 1 1 d . . . . .
H41A H 0.5429 0.9238 -0.1462 0.078 Uiso 1 1 calc GR . . . .
H41B H 0.5553 0.9598 -0.1149 0.078 Uiso 1 1 calc GR . . . .
H41C H 0.6205 0.9278 -0.1162 0.078 Uiso 1 1 calc GR . . . .
C42 C 0.5447(11) 0.9759(6) -0.1972(6) 0.054(3) Uani 1 1 d . . . . .
H42A H 0.5278 0.9520 -0.2122 0.081 Uiso 1 1 calc GR . . . .
H42B H 0.5593 0.9954 -0.2165 0.081 Uiso 1 1 calc GR . . . .
H42C H 0.5035 0.9862 -0.1833 0.081 Uiso 1 1 calc GR . . . .
C43 C 0.7892(10) 0.9872(5) -0.1344(5) 0.0401(16) Uani 1 1 d . . . . .
H43A H 0.7541 1.0062 -0.1494 0.048 Uiso 1 1 calc R . . . .
H43B H 0.8416 0.9961 -0.1359 0.048 Uiso 1 1 calc R . . . .
C44 C 0.7747(10) 0.9847(5) -0.0896(5) 0.0387(15) Uani 1 1 d . . . . .
H44A H 0.7792 1.0110 -0.0770 0.046 Uiso 1 1 calc R . . . .
H44B H 0.7227 0.9751 -0.0883 0.046 Uiso 1 1 calc R . . . .
N6 N 0.8307(8) 0.8741(4) -0.0724(4) 0.0350(13) Uani 1 1 d . . . . .
Si5 Si 0.8541(3) 0.83148(12) -0.04589(13) 0.0359(8) Uani 1 1 d . . . . .
C45 C 0.7875(10) 0.7891(5) -0.0642(5) 0.0419(15) Uani 1 1 d . . . . .
H45 H 0.7978 0.7672 -0.0442 0.050 Uiso 1 1 calc R . . . .
C46 C 0.7065(11) 0.8009(5) -0.0645(6) 0.047(3) Uani 1 1 d . . . . .
H46A H 0.6929 0.8201 -0.0863 0.070 Uiso 1 1 calc GR . . . .
H46B H 0.6996 0.8125 -0.0380 0.070 Uiso 1 1 calc GR . . . .
H46C H 0.6741 0.7779 -0.0693 0.070 Uiso 1 1 calc GR . . . .
C47 C 0.8010(12) 0.7741(5) -0.1059(6) 0.049(3) Uani 1 1 d . . . . .
H47A H 0.8471 0.7583 -0.1031 0.073 Uiso 1 1 calc GR . . . .
H47B H 0.8067 0.7963 -0.1241 0.073 Uiso 1 1 calc GR . . . .
H47C H 0.7580 0.7581 -0.1174 0.073 Uiso 1 1 calc GR . . . .
C48 C 0.9513(10) 0.8151(5) -0.0548(5) 0.0389(15) Uani 1 1 d . . . . .
H48 H 0.9474 0.8078 -0.0845 0.047 Uiso 1 1 calc R . . . .
C49 C 1.0133(10) 0.8460(5) -0.0481(5) 0.042(3) Uani 1 1 d . . . . .
H49A H 0.9964 0.8699 -0.0629 0.062 Uiso 1 1 calc GR . . . .
H49B H 1.0591 0.8362 -0.0583 0.062 Uiso 1 1 calc GR . . . .
H49C H 1.0243 0.8517 -0.0187 0.062 Uiso 1 1 calc GR . . . .
C50 C 0.9780(11) 0.7776(5) -0.0306(6) 0.045(3) Uani 1 1 d . . . . .
H50A H 1.0234 0.7674 -0.0408 0.068 Uiso 1 1 calc GR . . . .
H50B H 0.9379 0.7579 -0.0342 0.068 Uiso 1 1 calc GR . . . .
H50C H 0.9896 0.7840 -0.0014 0.068 Uiso 1 1 calc GR . . . .
C51 C 0.8452(10) 0.8382(5) 0.0114(5) 0.0391(15) Uani 1 1 d . . . . .
H51 H 0.7987 0.8544 0.0121 0.047 Uiso 1 1 calc R . . . .
C52 C 0.9079(10) 0.8613(5) 0.0354(5) 0.042(3) Uani 1 1 d . . . . .
H52A H 0.9180 0.8848 0.0200 0.063 Uiso 1 1 calc GR . . . .
H52B H 0.9537 0.8452 0.0398 0.063 Uiso 1 1 calc GR . . . .
H52C H 0.8928 0.8688 0.0620 0.063 Uiso 1 1 calc GR . . . .
C53 C 0.8314(11) 0.8013(5) 0.0349(5) 0.046(3) Uani 1 1 d . . . . .
H53A H 0.8739 0.7834 0.0342 0.069 Uiso 1 1 calc GR . . . .
H53B H 0.7848 0.7888 0.0223 0.069 Uiso 1 1 calc GR . . . .
H53C H 0.8264 0.8080 0.0634 0.069 Uiso 1 1 calc GR . . . .
C54 C 0.7658(9) 0.8958(5) -0.0586(5) 0.0360(15) Uani 1 1 d . . . . .
H54A H 0.7418 0.8796 -0.0389 0.043 Uiso 1 1 calc R . . . .
H54B H 0.7276 0.9014 -0.0824 0.043 Uiso 1 1 calc R . . . .
C55 C 0.7936(9) 0.9338(5) -0.0383(5) 0.0363(15) Uani 1 1 d . . . . .
H55A H 0.7506 0.9480 -0.0290 0.044 Uiso 1 1 calc R . . . .
H55B H 0.8305 0.9281 -0.0139 0.044 Uiso 1 1 calc R . . . .
N7 N 0.9758(7) 0.9460(3) -0.0920(4) 0.0307(13) Uani 1 1 d . . . . .
Si6 Si 1.0540(2) 0.96809(11) -0.10761(12) 0.0296(7) Uani 1 1 d . . . . .
C56 C 1.1468(9) 0.9426(4) -0.0903(5) 0.0356(15) Uani 1 1 d . . . . .
H56 H 1.1881 0.9604 -0.0967 0.043 Uiso 1 1 calc R . . . .
C57 C 1.1584(10) 0.9354(5) -0.0439(5) 0.043(3) Uani 1 1 d . . . . .
H57A H 1.1199 0.9172 -0.0367 0.064 Uiso 1 1 calc GR . . . .
H57B H 1.1540 0.9602 -0.0295 0.064 Uiso 1 1 calc GR . . . .
H57C H 1.2087 0.9243 -0.0359 0.064 Uiso 1 1 calc GR . . . .
C58 C 1.1551(11) 0.9039(5) -0.1136(6) 0.042(3) Uani 1 1 d . . . . .
H58A H 1.1681 0.9097 -0.1410 0.063 Uiso 1 1 calc GR . . . .
H58B H 1.1072 0.8895 -0.1160 0.063 Uiso 1 1 calc GR . . . .
H58C H 1.1951 0.8881 -0.0985 0.063 Uiso 1 1 calc GR . . . .
C59 C 1.0425(9) 0.9682(4) -0.1651(5) 0.0333(15) Uani 1 1 d . . . . .
H59 H 1.0458 0.9403 -0.1737 0.040 Uiso 1 1 calc R . . . .
C60 C 1.1086(10) 0.9894(5) -0.1810(5) 0.040(2) Uani 1 1 d . . . . .
H60A H 1.1556 0.9831 -0.1635 0.060 Uiso 1 1 calc GR . . . .
H60B H 1.1000 1.0177 -0.1805 0.060 Uiso 1 1 calc GR . . . .
H60C H 1.1125 0.9810 -0.2092 0.060 Uiso 1 1 calc GR . . . .
C61 C 0.9680(10) 0.9840(5) -0.1873(5) 0.037(2) Uani 1 1 d . . . . .
H61A H 0.9622 1.0115 -0.1800 0.056 Uiso 1 1 calc GR . . . .
H61B H 0.9258 0.9688 -0.1791 0.056 Uiso 1 1 calc GR . . . .
H61C H 0.9683 0.9818 -0.2170 0.056 Uiso 1 1 calc GR . . . .
C62 C 1.0654(9) 1.0203(4) -0.0856(5) 0.0329(15) Uani 1 1 d . . . . .
H62 H 1.0529 1.0183 -0.0569 0.040 Uiso 1 1 calc R . . . .
C63 C 1.1470(10) 1.0367(5) -0.0817(5) 0.039(2) Uani 1 1 d . . . . .
H63A H 1.1626 1.0396 -0.1090 0.059 Uiso 1 1 calc GR . . . .
H63B H 1.1814 1.0186 -0.0654 0.059 Uiso 1 1 calc GR . . . .
H63C H 1.1487 1.0622 -0.0681 0.059 Uiso 1 1 calc GR . . . .
C64 C 1.0110(10) 1.0502(4) -0.1064(5) 0.039(3) Uani 1 1 d . . . . .
H64A H 0.9591 1.0417 -0.1047 0.058 Uiso 1 1 calc GR . . . .
H64B H 1.0189 1.0527 -0.1352 0.058 Uiso 1 1 calc GR . . . .
H64C H 1.0199 1.0755 -0.0927 0.058 Uiso 1 1 calc GR . . . .
C65 C 0.9648(9) 0.9525(4) -0.0478(5) 0.0323(15) Uani 1 1 d . . . . .
H65A H 0.9561 0.9273 -0.0345 0.039 Uiso 1 1 calc R . . . .
H65B H 1.0105 0.9647 -0.0328 0.039 Uiso 1 1 calc R . . . .
C66 C 0.8978(9) 0.9789(5) -0.0464(5) 0.0342(15) Uani 1 1 d . . . . .
H66A H 0.8916 0.9852 -0.0176 0.041 Uiso 1 1 calc R . . . .
H66B H 0.9052 1.0036 -0.0610 0.041 Uiso 1 1 calc R . . . .
N8 N 0.8290(8) 0.9582(4) -0.0666(4) 0.0362(13) Uani 1 1 d . . . . .
U3 U 1.22251(4) 0.69096(2) -0.17485(2) 0.04034(16) Uani 1 1 d . . . . .
As3 As 1.11941(12) 0.74451(6) -0.20967(6) 0.0450(4) Uani 1 1 d . . . . .
K5 K 1.1311(7) 0.8513(3) -0.2100(3) 0.152(3) Uani 1 1 d . . . . .
K6 K 1.0341(5) 0.7838(3) -0.1374(2) 0.072(2) Uani 0.661(12) 1 d . . P A 1
K6A K 1.0681(11) 0.8098(6) -0.1420(5) 0.074(2) Uani 0.339(12) 1 d . . P A 2
N9 N 1.3000(10) 0.7191(5) -0.1216(5) 0.0554(16) Uani 1 1 d . . . . .
Si7 Si 1.3355(4) 0.76485(17) -0.11196(16) 0.0551(11) Uani 1 1 d . . . . .
C67 C 1.3133(13) 0.7934(6) -0.1607(6) 0.0574(18) Uani 1 1 d . . . . .
H67 H 1.2573 0.7918 -0.1678 0.069 Uiso 1 1 calc R . . . .
C68 C 1.3465(13) 0.7774(7) -0.1984(6) 0.060(3) Uani 1 1 d . . . . .
H68A H 1.3354 0.7494 -0.2013 0.091 Uiso 1 1 calc GR . . . .
H68B H 1.4013 0.7813 -0.1948 0.091 Uiso 1 1 calc GR . . . .
H68C H 1.3239 0.7912 -0.2230 0.091 Uiso 1 1 calc GR . . . .
C69 C 1.3320(14) 0.8380(7) -0.1568(7) 0.063(3) Uani 1 1 d . . . . .
H69A H 1.3818 0.8415 -0.1410 0.095 Uiso 1 1 calc GR . . . .
H69B H 1.2937 0.8511 -0.1428 0.095 Uiso 1 1 calc GR . . . .
H69C H 1.3320 0.8493 -0.1842 0.095 Uiso 1 1 calc GR . . . .
C70 C 1.2885(13) 0.7924(7) -0.0704(6) 0.0583(18) Uani 1 1 d . . . . .
H70 H 1.3149 0.8180 -0.0653 0.070 Uiso 1 1 calc R . . . .
C71 C 1.2957(14) 0.7702(7) -0.0305(6) 0.064(3) Uani 1 1 d . . . . .
H71A H 1.3341 0.7826 -0.0108 0.096 Uiso 1 1 calc GR . . . .
H71B H 1.3105 0.7431 -0.0352 0.096 Uiso 1 1 calc GR . . . .
H71C H 1.2470 0.7704 -0.0196 0.096 Uiso 1 1 calc GR . . . .
C72 C 1.2057(13) 0.8006(7) -0.0858(6) 0.062(3) Uani 1 1 d . . . . .
H72A H 1.1760 0.7767 -0.0841 0.093 Uiso 1 1 calc GR . . . .
H72B H 1.2011 0.8095 -0.1144 0.093 Uiso 1 1 calc GR . . . .
H72C H 1.1867 0.8210 -0.0688 0.093 Uiso 1 1 calc GR . . . .
C73 C 1.4390(13) 0.7634(7) -0.0911(6) 0.0588(18) Uani 1 1 d . . . . .
H73 H 1.4437 0.7415 -0.0708 0.071 Uiso 1 1 calc R . . . .
C74 C 1.4930(13) 0.7519(7) -0.1233(6) 0.061(3) Uani 1 1 d . . . . .
H74A H 1.4960 0.7736 -0.1425 0.092 Uiso 1 1 calc GR . . . .
H74B H 1.4732 0.7287 -0.1384 0.092 Uiso 1 1 calc GR . . . .
H74C H 1.5434 0.7463 -0.1091 0.092 Uiso 1 1 calc GR . . . .
C75 C 1.4651(15) 0.7980(7) -0.0673(7) 0.067(3) Uani 1 1 d . . . . .
H75A H 1.4324 0.8026 -0.0460 0.100 Uiso 1 1 calc GR . . . .
H75B H 1.4633 0.8208 -0.0855 0.100 Uiso 1 1 calc GR . . . .
H75C H 1.5171 0.7939 -0.0545 0.100 Uiso 1 1 calc GR . . . .
C76 C 1.3192(13) 0.6893(6) -0.0886(6) 0.0564(17) Uani 1 1 d . . . . .
H76A H 1.2725 0.6769 -0.0814 0.068 Uiso 1 1 calc R . . . .
H76B H 1.3455 0.7020 -0.0637 0.068 Uiso 1 1 calc R . . . .
C77 C 1.3704(13) 0.6583(6) -0.1044(6) 0.0576(18) Uani 1 1 d . . . . .
H77A H 1.4159 0.6709 -0.1130 0.069 Uiso 1 1 calc R . . . .
H77B H 1.3868 0.6392 -0.0825 0.069 Uiso 1 1 calc R . . . .
N10 N 1.1642(12) 0.6363(6) -0.1512(6) 0.0685(17) Uani 1 1 d . . . . .
Si8 Si 1.0833(4) 0.6257(2) -0.1289(2) 0.0742(14) Uani 1 1 d . . . . .
C78 C 1.0437(16) 0.6729(8) -0.1096(8) 0.077(2) Uani 1 1 d . . . . .
H78 H 1.0211 0.6636 -0.0850 0.093 Uiso 1 1 calc R . . . .
C79 C 1.1009(16) 0.7002(8) -0.0913(8) 0.078(3) Uani 1 1 d . . . . .
H79A H 1.1395 0.7037 -0.1098 0.118 Uiso 1 1 calc GR . . . .
H79B H 1.1246 0.6899 -0.0650 0.118 Uiso 1 1 calc GR . . . .
H79C H 1.0773 0.7254 -0.0869 0.118 Uiso 1 1 calc GR . . . .
C80 C 0.9770(17) 0.6922(8) -0.1342(9) 0.083(3) Uani 1 1 d . . . . .
H80A H 0.9323 0.6756 -0.1341 0.124 Uiso 1 1 calc GR . . . .
H80B H 0.9876 0.6959 -0.1625 0.124 Uiso 1 1 calc GR . . . .
H80C H 0.9677 0.7176 -0.1221 0.124 Uiso 1 1 calc GR . . . .
C81 C 1.0063(16) 0.6039(8) -0.1686(8) 0.079(2) Uani 1 1 d . . . . .
H81 H 0.9842 0.6259 -0.1863 0.094 Uiso 1 1 calc R . . . .
C82 C 1.0331(17) 0.5746(8) -0.1958(9) 0.085(3) Uani 1 1 d . . . . .
H82A H 1.0686 0.5569 -0.1797 0.128 Uiso 1 1 calc GR . . . .
H82B H 1.0585 0.5876 -0.2168 0.128 Uiso 1 1 calc GR . . . .
H82C H 0.9900 0.5595 -0.2090 0.128 Uiso 1 1 calc GR . . . .
C83 C 0.9432(17) 0.5877(8) -0.1452(9) 0.085(3) Uani 1 1 d . . . . .
H83A H 0.9230 0.6088 -0.1297 0.127 Uiso 1 1 calc GR . . . .
H83B H 0.9639 0.5671 -0.1263 0.127 Uiso 1 1 calc GR . . . .
H83C H 0.9026 0.5769 -0.1648 0.127 Uiso 1 1 calc GR . . . .
C84 C 1.1001(17) 0.5950(8) -0.0815(8) 0.079(2) Uani 1 1 d . . . . .
H84 H 1.0485 0.5930 -0.0729 0.094 Uiso 1 1 calc R . . . .
C85 C 1.1401(17) 0.6102(8) -0.0486(9) 0.084(3) Uani 1 1 d . . . . .
H85A H 1.1077 0.6272 -0.0344 0.126 Uiso 1 1 calc GR . . . .
H85B H 1.1820 0.6255 -0.0570 0.126 Uiso 1 1 calc DGR . . . .
H85C H 1.1602 0.5891 -0.0302 0.126 Uiso 1 1 calc GR . . . .
C86 C 1.1217(17) 0.5533(8) -0.0853(9) 0.086(3) Uani 1 1 d . . . . .
H86A H 1.1355 0.5486 -0.1128 0.128 Uiso 1 1 calc GR . . . .
H86B H 1.0789 0.5366 -0.0808 0.128 Uiso 1 1 calc DGR . . . .
H86C H 1.1648 0.5473 -0.0647 0.128 Uiso 1 1 calc GR . . . .
C87 C 1.2104(14) 0.6019(7) -0.1570(7) 0.0651(18) Uani 1 1 d . . . . .
H87A H 1.2207 0.6006 -0.1858 0.078 Uiso 1 1 calc R . . . .
H87B H 1.1828 0.5779 -0.1509 0.078 Uiso 1 1 calc R . . . .
C88 C 1.2830(13) 0.6043(7) -0.1291(7) 0.0617(18) Uani 1 1 d . . . . .
H88A H 1.2723 0.6063 -0.1003 0.074 Uiso 1 1 calc R . . . .
H88B H 1.3126 0.5802 -0.1317 0.074 Uiso 1 1 calc R . . . .
N11 N 1.2997(11) 0.6704(5) -0.2221(5) 0.0570(16) Uani 1 1 d . . . . .
Si9 Si 1.2853(4) 0.65467(18) -0.27223(18) 0.0592(11) Uani 1 1 d . . . . .
C89 C 1.1834(14) 0.6621(7) -0.2910(7) 0.0631(18) Uani 1 1 d . . . . .
H89 H 1.1726 0.6881 -0.2794 0.076 Uiso 1 1 calc R . . . .
C90 C 1.1335(14) 0.6349(7) -0.2702(7) 0.065(3) Uani 1 1 d . . . . .
H90A H 1.1440 0.6382 -0.2404 0.097 Uiso 1 1 calc GR . . . .
H90B H 1.1437 0.6078 -0.2775 0.097 Uiso 1 1 calc GR . . . .
H90C H 1.0804 0.6411 -0.2793 0.097 Uiso 1 1 calc GR . . . .
C91 C 1.1614(15) 0.6677(8) -0.3353(7) 0.070(3) Uani 1 1 d . . . . .
H91A H 1.1720 0.6438 -0.3500 0.106 Uiso 1 1 calc GR . . . .
H91B H 1.1903 0.6895 -0.3449 0.106 Uiso 1 1 calc DGR . . . .
H91C H 1.1073 0.6737 -0.3405 0.106 Uiso 1 1 calc GR . . . .
C92 C 1.3503(14) 0.6813(7) -0.3025(7) 0.0620(18) Uani 1 1 d . . . . .
H92 H 1.4016 0.6772 -0.2870 0.074 Uiso 1 1 calc R . . . .
C93 C 1.3365(14) 0.7257(7) -0.2999(7) 0.063(3) Uani 1 1 d . . . . .
H93A H 1.3428 0.7338 -0.2710 0.094 Uiso 1 1 calc GR . . . .
H93B H 1.2851 0.7318 -0.3124 0.094 Uiso 1 1 calc GR . . . .
H93C H 1.3729 0.7397 -0.3145 0.094 Uiso 1 1 calc GR . . . .
C94 C 1.3567(14) 0.6661(7) -0.3453(7) 0.066(3) Uani 1 1 d . . . . .
H94A H 1.3076 0.6683 -0.3623 0.099 Uiso 1 1 calc GR . . . .
H94B H 1.3725 0.6387 -0.3437 0.099 Uiso 1 1 calc GR . . . .
H94C H 1.3943 0.6816 -0.3576 0.099 Uiso 1 1 calc GR . . . .
C95 C 1.3077(14) 0.5981(7) -0.2760(7) 0.0622(18) Uani 1 1 d . . . . .
H95 H 1.2857 0.5858 -0.2526 0.075 Uiso 1 1 calc R . . . .
C96 C 1.2655(14) 0.5780(7) -0.3157(7) 0.066(3) Uani 1 1 d . . . . .
H96A H 1.2677 0.5496 -0.3125 0.099 Uiso 1 1 calc GR . . . .
H96B H 1.2900 0.5856 -0.3396 0.099 Uiso 1 1 calc GR . . . .
H96C H 1.2126 0.5865 -0.3197 0.099 Uiso 1 1 calc GR . . . .
C97 C 1.3902(14) 0.5890(7) -0.2686(7) 0.066(3) Uani 1 1 d . . . . .
H97A H 1.4154 0.6078 -0.2489 0.099 Uiso 1 1 calc GR . . . .
H97B H 1.4118 0.5908 -0.2945 0.099 Uiso 1 1 calc GR . . . .
H97C H 1.3974 0.5625 -0.2575 0.099 Uiso 1 1 calc GR . . . .
C98 C 1.3752(13) 0.6636(6) -0.1995(6) 0.0572(17) Uani 1 1 d . . . . .
H98A H 1.3922 0.6875 -0.1841 0.069 Uiso 1 1 calc R . . . .
H98B H 1.4113 0.6583 -0.2193 0.069 Uiso 1 1 calc R . . . .
C99 C 1.3763(13) 0.6296(6) -0.1697(6) 0.0580(17) Uani 1 1 d . . . . .
H99A H 1.3581 0.6056 -0.1846 0.070 Uiso 1 1 calc R . . . .
H99B H 1.4286 0.6249 -0.1566 0.070 Uiso 1 1 calc R . . . .
N12 N 1.3282(11) 0.6387(5) -0.1390(5) 0.0583(16) Uani 1 1 d . . . . .
U4 U 0.74064(4) 0.70126(2) -0.33623(2) 0.04540(18) Uani 1 1 d . . . . .
As4 As 0.84773(13) 0.74900(6) -0.29570(6) 0.0484(5) Uani 1 1 d . . . . .
K7 K 0.7919(4) 0.8039(2) -0.2225(3) 0.108(2) Uani 1 1 d . . . . .
K8 K 0.9754(4) 0.69073(15) -0.2530(2) 0.0908(19) Uani 1 1 d . . . . .
N13 N 0.7969(12) 0.6477(6) -0.3617(6) 0.0699(17) Uani 1 1 d . . . . .
Si10 Si 0.8774(4) 0.6391(2) -0.3861(2) 0.0710(13) Uani 1 1 d . . . . .
C100 C 0.9217(15) 0.6865(7) -0.3982(8) 0.074(2) Uani 1 1 d . . . . .
H100 H 0.9382 0.6788 -0.4250 0.089 Uiso 1 1 calc R . . . .
C101 C 0.8653(15) 0.7188(7) -0.4144(8) 0.075(3) Uani 1 1 d . . . . .
H10C H 0.8288 0.7229 -0.3949 0.112 Uiso 1 1 calc GR . . . .
H10D H 0.8385 0.7109 -0.4410 0.112 Uiso 1 1 calc GR . . . .
H10E H 0.8928 0.7432 -0.4176 0.112 Uiso 1 1 calc GR . . . .
C102 C 0.9950(17) 0.7018(8) -0.3784(9) 0.084(3) Uani 1 1 d . . . . .
H10F H 1.0353 0.6835 -0.3828 0.126 Uiso 1 1 calc DGR . . . .
H10G H 0.9930 0.7050 -0.3489 0.126 Uiso 1 1 calc GR . . . .
H10H H 1.0051 0.7272 -0.3904 0.126 Uiso 1 1 calc GR . . . .
C103 C 0.9512(15) 0.6140(8) -0.3512(8) 0.075(2) Uani 1 1 d . . . . .
H103 H 0.9756 0.6353 -0.3334 0.090 Uiso 1 1 calc R . . . .
C104 C 0.9228(17) 0.5852(8) -0.3210(9) 0.082(3) Uani 1 1 d . . . . .
H10I H 0.8946 0.5641 -0.3362 0.123 Uiso 1 1 calc GR . . . .
H10J H 0.8897 0.5988 -0.3041 0.123 Uiso 1 1 calc GR . . . .
H10K H 0.9660 0.5741 -0.3033 0.123 Uiso 1 1 calc GR . . . .
C105 C 1.0170(16) 0.5948(8) -0.3701(9) 0.081(3) Uani 1 1 d . . . . .
H10L H 1.0410 0.6142 -0.3861 0.122 Uiso 1 1 calc GR . . . .
H10M H 0.9976 0.5732 -0.3880 0.122 Uiso 1 1 calc GR . . . .
H10N H 1.0542 0.5847 -0.3481 0.122 Uiso 1 1 calc GR . . . .
C106 C 0.8659(16) 0.6123(7) -0.4373(8) 0.074(2) Uani 1 1 d . . . . .
H106 H 0.9185 0.6099 -0.4443 0.089 Uiso 1 1 calc R . . . .
C107 C 0.8227(15) 0.6314(8) -0.4745(8) 0.077(3) Uani 1 1 d . . . . .
H10O H 0.8111 0.6585 -0.4680 0.116 Uiso 1 1 calc GR . . . .
H10P H 0.7755 0.6171 -0.4824 0.116 Uiso 1 1 calc GR . . . .
H10Q H 0.8533 0.6309 -0.4972 0.116 Uiso 1 1 calc GR . . . .
C108 C 0.8374(16) 0.5691(8) -0.4356(8) 0.080(3) Uani 1 1 d . . . . .
H10R H 0.7891 0.5686 -0.4244 0.120 Uiso 1 1 calc GR . . . .
H10S H 0.8746 0.5536 -0.4180 0.120 Uiso 1 1 calc GR . . . .
H10T H 0.8306 0.5581 -0.4633 0.120 Uiso 1 1 calc GR . . . .
C109 C 0.7460(14) 0.6138(7) -0.3595(8) 0.0713(19) Uani 1 1 d . . . . .
H10U H 0.7317 0.6117 -0.3315 0.086 Uiso 1 1 calc R . . . .
H10V H 0.7727 0.5895 -0.3655 0.086 Uiso 1 1 calc R . . . .
C110 C 0.6745(14) 0.6186(8) -0.3907(8) 0.0724(19) Uani 1 1 d . . . . .
H11C H 0.6884 0.6230 -0.4186 0.087 Uiso 1 1 calc R . . . .
H11D H 0.6427 0.5949 -0.3912 0.087 Uiso 1 1 calc R . . . .
N14 N 0.6571(13) 0.6800(6) -0.2926(7) 0.0772(18) Uani 1 1 d . . . . .
Si11 Si 0.6604(5) 0.6709(2) -0.2421(3) 0.0820(15) Uani 1 1 d . . . . .
C111 C 0.7605(17) 0.6619(9) -0.2210(9) 0.085(2) Uani 1 1 d . . . . .
H111 H 0.7836 0.6884 -0.2227 0.102 Uiso 1 1 calc R . . . .
C112 C 0.8110(18) 0.6372(9) -0.2419(9) 0.088(3) Uani 1 1 d . . . . .
H11E H 0.8051 0.6436 -0.2711 0.132 Uiso 1 1 calc GR . . . .
H11F H 0.7981 0.6096 -0.2384 0.132 Uiso 1 1 calc GR . . . .
H11G H 0.8634 0.6417 -0.2300 0.132 Uiso 1 1 calc GR . . . .
C113 C 0.7720(18) 0.6541(9) -0.1765(9) 0.091(4) Uani 1 1 d . . . . .
H11H H 0.7808 0.6261 -0.1717 0.136 Uiso 1 1 calc GR . . . .
H11I H 0.7269 0.6621 -0.1644 0.136 Uiso 1 1 calc GR . . . .
H11J H 0.8157 0.6689 -0.1637 0.136 Uiso 1 1 calc GR . . . .
C114 C 0.5949(18) 0.6263(8) -0.2344(9) 0.086(2) Uani 1 1 d . . . . .
H114 H 0.5454 0.6304 -0.2518 0.103 Uiso 1 1 calc R . . . .
C115 C 0.6232(19) 0.5902(9) -0.2442(10) 0.090(3) Uani 1 1 d . . . . .
H11K H 0.6733 0.5864 -0.2288 0.135 Uiso 1 1 calc GR . . . .
H11L H 0.6271 0.5893 -0.2737 0.135 Uiso 1 1 calc GR . . . .
H11M H 0.5891 0.5695 -0.2372 0.135 Uiso 1 1 calc GR . . . .
C116 C 0.5807(18) 0.6237(9) -0.1894(9) 0.091(3) Uani 1 1 d . . . . .
H11N H 0.6148 0.6043 -0.1751 0.137 Uiso 1 1 calc GR . . . .
H11O H 0.5282 0.6158 -0.1881 0.137 Uiso 1 1 calc GR . . . .
H11P H 0.5899 0.6492 -0.1763 0.137 Uiso 1 1 calc GR . . . .
C117 C 0.6174(16) 0.7106(8) -0.2126(9) 0.085(2) Uani 1 1 d D . . . .
H117 H 0.6102 0.6992 -0.1854 0.102 Uiso 1 1 calc R . . . .
C118 C 0.6698(16) 0.7444(8) -0.2043(9) 0.089(4) Uani 1 1 d D . . . .
H11Q H 0.6917 0.7510 -0.2293 0.134 Uiso 1 1 calc GR . . . .
H11R H 0.7103 0.7374 -0.1825 0.134 Uiso 1 1 calc GR . . . .
H11S H 0.6419 0.7669 -0.1956 0.134 Uiso 1 1 calc GR . . . .
C119 C 0.5366(17) 0.7272(9) -0.2323(9) 0.086(3) Uani 1 1 d . . . . .
H11T H 0.5253 0.7512 -0.2180 0.130 Uiso 1 1 calc GR . . . .
H11U H 0.4975 0.7076 -0.2295 0.130 Uiso 1 1 calc GR . . . .
H11V H 0.5379 0.7329 -0.2614 0.130 Uiso 1 1 calc GR . . . .
C120 C 0.5808(15) 0.6742(8) -0.3165(8) 0.0759(19) Uani 1 1 d . . . . .
H12A H 0.5435 0.6680 -0.2976 0.091 Uiso 1 1 calc R . . . .
H12B H 0.5645 0.6985 -0.3314 0.091 Uiso 1 1 calc R . . . .
C121 C 0.5843(15) 0.6418(8) -0.3460(8) 0.0750(19) Uani 1 1 d . . . . .
H12C H 0.5329 0.6357 -0.3594 0.090 Uiso 1 1 calc R . . . .
H12D H 0.6049 0.6181 -0.3312 0.090 Uiso 1 1 calc R . . . .
N15 N 0.6663(12) 0.7339(7) -0.3890(6) 0.0693(17) Uani 1 1 d . . . . .
Si12 Si 0.6295(4) 0.7800(2) -0.39382(18) 0.0696(13) Uani 1 1 d . . . . .
C122 C 0.6555(15) 0.8060(8) -0.3424(7) 0.0708(19) Uani 1 1 d . . . . .
H122 H 0.7094 0.7984 -0.3340 0.085 Uiso 1 1 calc R . . . .
C123 C 0.6150(15) 0.7903(8) -0.3085(7) 0.072(3) Uani 1 1 d . . . . .
H12E H 0.6179 0.7617 -0.3081 0.108 Uiso 1 1 calc GR . . . .
H12F H 0.5619 0.7984 -0.3130 0.108 Uiso 1 1 calc GR . . . .
H12G H 0.6386 0.8006 -0.2821 0.108 Uiso 1 1 calc GR . . . .
C124 C 0.6569(16) 0.8501(8) -0.3418(7) 0.076(3) Uani 1 1 d . . . . .
H12H H 0.6192 0.8601 -0.3635 0.113 Uiso 1 1 calc GR . . . .
H12I H 0.7072 0.8593 -0.3463 0.113 Uiso 1 1 calc GR . . . .
H12J H 0.6453 0.8594 -0.3151 0.113 Uiso 1 1 calc GR . . . .
C125 C 0.6770(15) 0.8091(9) -0.4327(7) 0.0721(19) Uani 1 1 d . . . . .
H125 H 0.6587 0.8366 -0.4305 0.087 Uiso 1 1 calc R . . . .
C126 C 0.7606(15) 0.8113(8) -0.4232(7) 0.074(3) Uani 1 1 d . . . . .
H12K H 0.7822 0.7851 -0.4253 0.111 Uiso 1 1 calc GR . . . .
H12L H 0.7740 0.8214 -0.3954 0.111 Uiso 1 1 calc GR . . . .
H12M H 0.7807 0.8288 -0.4428 0.111 Uiso 1 1 calc GR . . . .
C127 C 0.6552(16) 0.7976(9) -0.4780(7) 0.079(3) Uani 1 1 d . . . . .
H12N H 0.6007 0.7927 -0.4831 0.119 Uiso 1 1 calc GR . . . .
H12O H 0.6825 0.7738 -0.4839 0.119 Uiso 1 1 calc GR . . . .
H12P H 0.6685 0.8188 -0.4957 0.119 Uiso 1 1 calc GR . . . .
C128 C 0.5213(15) 0.7804(8) -0.4139(7) 0.0729(19) Uani 1 1 d . . . . .
H128 H 0.5120 0.7688 -0.4420 0.088 Uiso 1 1 calc R . . . .
C129 C 0.4731(15) 0.7590(9) -0.3843(7) 0.075(3) Uani 1 1 d . . . . .
H12Q H 0.4783 0.7726 -0.3579 0.113 Uiso 1 1 calc GR . . . .
H12R H 0.4909 0.7320 -0.3802 0.113 Uiso 1 1 calc GR . . . .
H12S H 0.4200 0.7589 -0.3962 0.113 Uiso 1 1 calc GR . . . .
C130 C 0.4956(15) 0.8270(8) -0.4151(8) 0.079(3) Uani 1 1 d . . . . .
H13D H 0.5207 0.8409 -0.4357 0.118 Uiso 1 1 calc GR . . . .
H13E H 0.5103 0.8388 -0.3881 0.118 Uiso 1 1 calc GR . . . .
H13F H 0.4408 0.8289 -0.4223 0.118 Uiso 1 1 calc GR . . . .
C131 C 0.6464(15) 0.7072(8) -0.4235(7) 0.0712(19) Uani 1 1 d . . . . .
H13G H 0.6930 0.6954 -0.4316 0.085 Uiso 1 1 calc R . . . .
H13H H 0.6214 0.7221 -0.4473 0.085 Uiso 1 1 calc R . . . .
C132 C 0.5943(15) 0.6753(8) -0.4126(7) 0.0725(19) Uani 1 1 d . . . . .
H13I H 0.5470 0.6868 -0.4052 0.087 Uiso 1 1 calc R . . . .
H13J H 0.5813 0.6578 -0.4365 0.087 Uiso 1 1 calc R . . . .
N16 N 0.6331(12) 0.6528(6) -0.3774(6) 0.0729(17) Uani 1 1 d . . . . .
C133 C 1.1507(11) 0.6537(6) -0.4468(7) 0.104(5) Uani 1 1 d . . . . .
H133 H 1.1631 0.6760 -0.4300 0.125 Uiso 1 1 calc R . . . .
C134 C 1.0954(13) 0.6562(7) -0.4799(6) 0.104(5) Uani 1 1 d . . . . .
H134 H 1.0708 0.6804 -0.4861 0.125 Uiso 1 1 calc R . . . .
C135 C 1.0750(16) 0.6242(4) -0.5041(8) 0.104(5) Uani 1 1 d . . . . .
H135 H 1.0388 0.6267 -0.5278 0.125 Uiso 1 1 calc R . . . .
C136 C 1.1076(12) 0.5885(6) -0.4938(7) 0.103(5) Uani 1 1 d . . . . .
H136 H 1.0914 0.5656 -0.5087 0.124 Uiso 1 1 calc R . . . .
C137 C 1.1644(13) 0.5869(6) -0.4613(6) 0.103(5) Uani 1 1 d . . . . .
H137 H 1.1884 0.5625 -0.4548 0.123 Uiso 1 1 calc R . . . .
C138 C 1.1880(15) 0.6190(4) -0.4379(8) 0.103(5) Uani 1 1 d . . . . .
H138 H 1.2287 0.6172 -0.4163 0.124 Uiso 1 1 calc R . . . .
C143 C 1.3588(14) 0.9396(7) -0.1252(7) 0.120(5) Uiso 1 1 d . . . . .
H143 H 1.3414 0.9222 -0.1469 0.144 Uiso 1 1 calc R . . . .
C142 C 1.3589(14) 0.9796(8) -0.1322(6) 0.121(5) Uiso 1 1 d G . . . .
H142 H 1.3415 0.9896 -0.1586 0.145 Uiso 1 1 calc R . . . .
C141 C 1.3844(15) 1.0050(6) -0.1004(8) 0.121(5) Uiso 1 1 d G . . . .
H141 H 1.3845 1.0324 -0.1052 0.145 Uiso 1 1 calc R . . . .
C140 C 1.4100(14) 0.9904(7) -0.0617(7) 0.121(5) Uiso 1 1 d G . . . .
H140 H 1.4274 1.0077 -0.0400 0.146 Uiso 1 1 calc R . . . .
C139 C 1.4099(14) 0.9503(8) -0.0547(6) 0.121(5) Uiso 1 1 d G . . . .
H139 H 1.4273 0.9403 -0.0283 0.145 Uiso 1 1 calc R . . . .
C144 C 1.3844(15) 0.9249(6) -0.0865(8) 0.120(5) Uiso 1 1 d G . . . .
H144 H 1.3843 0.8975 -0.0817 0.144 Uiso 1 1 calc R . . . .
C156 C 0.8958(17) 0.6626(8) -0.0263(10) 0.140(7) Uiso 1 1 d . . . . .
H156 H 0.9231 0.6858 -0.0185 0.169 Uiso 1 1 calc R . . . .
C155 C 0.9171(14) 0.6273(10) -0.0072(8) 0.140(7) Uiso 1 1 d G . . . .
H155 H 0.9589 0.6264 0.0137 0.168 Uiso 1 1 calc R . . . .
C154 C 0.8771(18) 0.5934(7) -0.0187(9) 0.140(7) Uiso 1 1 d G . . . .
H154 H 0.8916 0.5693 -0.0057 0.168 Uiso 1 1 calc R . . . .
C153 C 0.8158(17) 0.5947(8) -0.0493(9) 0.139(7) Uiso 1 1 d G . . . .
H153 H 0.7885 0.5715 -0.0572 0.167 Uiso 1 1 calc R . . . .
C152 C 0.7945(14) 0.6300(10) -0.0685(8) 0.140(7) Uiso 1 1 d G . . . .
H152 H 0.7527 0.6308 -0.0894 0.168 Uiso 1 1 calc R . . . .
C151 C 0.8345(18) 0.6639(7) -0.0569(9) 0.140(7) Uiso 1 1 d G . . . .
H151 H 0.8200 0.6880 -0.0700 0.169 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 U1 As1 110.9(3) . .
N1 U1 N4 68.3(4) . .
N2 U1 As1 109.7(4) . .
N2 U1 N1 110.4(5) . .
N2 U1 N4 69.4(5) . .
N3 U1 As1 113.1(4) . .
N3 U1 N1 105.5(5) . .
N3 U1 N2 107.1(5) . .
N3 U1 N4 68.7(4) . .
N4 U1 As1 178.2(3) . .
U1 As1 K1 174.12(11) . .
U1 As1 K2 113.05(18) . .
U1 As1 K2A 113.8(4) . .
U1 As1 K3 108.16(11) . .
U1 As1 K4 111.09(14) . .
U1 As1 K5 129.50(19) . .
K1 As1 K2A 71.8(4) . .
K1 As1 K4 67.10(15) . .
K1 As1 K5 55.3(2) . .
K2 As1 K1 71.35(19) . .
K2 As1 K3 96.1(3) . .
K2 As1 K4 127.7(2) . .
K2 As1 K5 67.1(3) . .
K2A As1 K5 48.2(5) . .
K3 As1 K1 66.92(12) . .
K3 As1 K2A 115.1(5) . .
K3 As1 K4 95.6(2) . .
K3 As1 K5 122.2(2) . .
K4 As1 K2A 111.8(4) . .
K4 As1 K5 63.7(3) . .
As2 K1 As1 110.02(14) . .
As3 K1 As1 105.59(15) . .
As3 K1 As2 108.30(12) . .
As4 K1 As1 112.98(13) . .
As4 K1 As2 111.46(15) . .
As4 K1 As3 108.21(14) . .
As1 K2 As3 107.2(3) . .
As3 K2A As1 104.7(6) . .
Si1 N1 U1 136.2(7) . .
C10 N1 U1 107.5(9) . .
C10 N1 Si1 116.2(10) . .
N1 Si1 C1 112.9(7) . .
N1 Si1 C4 108.1(7) . .
N1 Si1 C7 111.9(7) . .
C1 Si1 C4 106.4(7) . .
C1 Si1 C7 106.0(7) . .
C4 Si1 C7 111.5(7) . .
Si1 C1 H1 107.2 . .
C2 C1 Si1 113.0(11) . .
C2 C1 H1 107.2 . .
C3 C1 Si1 112.9(11) . .
C3 C1 H1 107.2 . .
C3 C1 C2 109.1(13) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si1 C4 H4 105.7 . .
C5 C4 Si1 110.6(11) . .
C5 C4 H4 105.7 . .
C6 C4 Si1 117.7(11) . .
C6 C4 H4 105.7 . .
C6 C4 C5 110.6(13) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 C6 H6A 109.5 . .
C4 C6 H6B 109.5 . .
C4 C6 H6C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
Si1 C7 H7 105.9 . .
C8 C7 Si1 114.8(11) . .
C8 C7 H7 105.8 . .
C8 C7 C9 110.7(13) . .
C9 C7 Si1 113.0(10) . .
C9 C7 H7 105.9 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N1 C10 H10A 109.8 . .
N1 C10 H10B 109.8 . .
H10A C10 H10B 108.3 . .
C11 C10 N1 109.3(12) . .
C11 C10 H10A 109.8 . .
C11 C10 H10B 109.8 . .
C10 C11 H11A 110.2 . .
C10 C11 H11B 110.2 . .
H11A C11 H11B 108.5 . .
N4 C11 C10 107.6(13) . .
N4 C11 H11A 110.2 . .
N4 C11 H11B 110.2 . .
Si2 N2 U1 136.5(8) . .
C21 N2 U1 107.7(10) . .
C21 N2 Si2 115.7(11) . .
N2 Si2 C12 111.6(8) . .
N2 Si2 C15 110.6(8) . .
N2 Si2 C18 110.8(8) . .
C12 Si2 C18 107.0(8) . .
C15 Si2 C12 105.2(9) . .
C15 Si2 C18 111.6(9) . .
Si2 C12 H12 107.3 . .
C13 C12 Si2 111.7(14) . .
C13 C12 H12 107.3 . .
C13 C12 C14 112.4(18) . .
C14 C12 Si2 110.5(13) . .
C14 C12 H12 107.3 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si2 C15 H15 106.0 . .
C16 C15 Si2 116.1(14) . .
C16 C15 H15 106.1 . .
C16 C15 C17 109.5(16) . .
C17 C15 Si2 112.3(13) . .
C17 C15 H15 106.0 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si2 C18 H18 106.0 . .
C19 C18 Si2 114.7(14) . .
C19 C18 H18 106.0 . .
C20 C18 Si2 114.0(14) . .
C20 C18 H18 106.0 . .
C20 C18 C19 109.4(17) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N2 C21 H21A 109.6 . .
N2 C21 H21B 109.6 . .
N2 C21 C22 110.2(13) . .
H21A C21 H21B 108.1 . .
C22 C21 H21A 109.6 . .
C22 C21 H21B 109.6 . .
C21 C22 H22A 109.8 . .
C21 C22 H22B 109.8 . .
H22A C22 H22B 108.2 . .
N4 C22 C21 109.5(13) . .
N4 C22 H22A 109.8 . .
N4 C22 H22B 109.8 . .
Si3 N3 U1 137.1(8) . .
C32 N3 U1 109.3(9) . .
C32 N3 Si3 113.6(10) . .
N3 Si3 C23 111.3(7) . .
N3 Si3 C26 110.5(7) . .
N3 Si3 C29 110.2(7) . .
C23 Si3 C29 106.4(8) . .
C26 Si3 C23 105.7(8) . .
C26 Si3 C29 112.6(8) . .
Si3 C23 H23 108.2 . .
C24 C23 Si3 109.5(13) . .
C24 C23 H23 108.2 . .
C25 C23 Si3 114.1(13) . .
C25 C23 H23 108.2 . .
C25 C23 C24 108.6(16) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si3 C26 H26 106.4 . .
C27 C26 Si3 115.9(12) . .
C27 C26 H26 106.4 . .
C27 C26 C28 111.7(15) . .
C28 C26 Si3 109.4(13) . .
C28 C26 H26 106.4 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si3 C29 H29 106.7 . .
C30 C29 Si3 113.4(12) . .
C30 C29 H29 106.7 . .
C30 C29 C31 109.3(14) . .
C31 C29 Si3 113.6(12) . .
C31 C29 H29 106.7 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N3 C32 H32A 110.0 . .
N3 C32 H32B 110.0 . .
N3 C32 C33 108.5(13) . .
H32A C32 H32B 108.4 . .
C33 C32 H32A 110.0 . .
C33 C32 H32B 110.0 . .
C32 C33 H33A 109.7 . .
C32 C33 H33B 109.7 . .
H33A C33 H33B 108.2 . .
N4 C33 C32 109.9(13) . .
N4 C33 H33A 109.7 . .
N4 C33 H33B 109.7 . .
C11 N4 U1 107.5(9) . .
C11 N4 C22 112.9(13) . .
C11 N4 C33 111.9(12) . .
C22 N4 U1 105.9(9) . .
C22 N4 C33 112.4(13) . .
C33 N4 U1 105.7(9) . .
As2 U2 N8 178.3(3) . .
N5 U2 As2 112.5(3) . .
N5 U2 N8 68.9(4) . .
N6 U2 As2 111.5(3) . .
N6 U2 N5 105.3(5) . .
N6 U2 N7 106.0(5) . .
N6 U2 N8 68.8(4) . .
N7 U2 As2 109.9(3) . .
N7 U2 N5 111.3(5) . .
N7 U2 N8 68.4(4) . .
K1 As2 K5 53.35(19) . .
K1 As2 K6 69.97(14) . .
U2 As2 K1 175.95(11) . .
U2 As2 K4 106.72(16) . .
U2 As2 K5 128.31(18) . .
U2 As2 K6 114.04(14) . .
U2 As2 K6A 112.5(3) . .
U2 As2 K7 109.64(14) . .
K4 As2 K1 70.38(17) . .
K4 As2 K5 63.2(3) . .
K4 As2 K6 126.6(2) . .
K4 As2 K7 102.4(3) . .
K6 As2 K5 64.7(2) . .
K6A As2 K1 71.4(3) . .
K6A As2 K4 112.6(4) . .
K6A As2 K5 49.4(4) . .
K6A As2 K7 112.3(5) . .
K7 As2 K1 68.77(15) . .
K7 As2 K5 122.0(2) . .
K7 As2 K6 95.0(3) . .
As1 K3 As4 111.95(16) . .
As2 K4 As1 109.3(2) . .
Si4 N5 U2 137.9(8) . .
C43 N5 U2 106.7(10) . .
C43 N5 Si4 115.3(11) . .
N5 Si4 C34 113.2(8) . .
N5 Si4 C37 110.0(8) . .
N5 Si4 C40 110.0(8) . .
C37 Si4 C34 104.4(8) . .
C37 Si4 C40 111.7(9) . .
C40 Si4 C34 107.4(8) . .
Si4 C34 H34 108.1 . .
C35 C34 Si4 110.5(13) . .
C35 C34 H34 108.1 . .
C35 C34 C36 111.1(17) . .
C36 C34 Si4 110.9(13) . .
C36 C34 H34 108.1 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36B 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
Si4 C37 H37 106.5 . .
C38 C37 Si4 115.4(13) . .
C38 C37 H37 106.5 . .
C39 C37 Si4 111.7(13) . .
C39 C37 H37 106.5 . .
C39 C37 C38 109.8(16) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38B 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39B 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
Si4 C40 H40 107.5 . .
C41 C40 Si4 114.7(13) . .
C41 C40 H40 107.5 . .
C41 C40 C42 104.1(16) . .
C42 C40 Si4 115.1(13) . .
C42 C40 H40 107.5 . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41B 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C40 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
C40 C42 H42C 109.5 . .
H42A C42 H42B 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N5 C43 H43A 110.1 . .
N5 C43 H43B 110.1 . .
N5 C43 C44 108.2(14) . .
H43A C43 H43B 108.4 . .
C44 C43 H43A 110.1 . .
C44 C43 H43B 110.1 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 108.1 . .
N8 C44 C43 110.5(13) . .
N8 C44 H44A 109.5 . .
N8 C44 H44B 109.5 . .
Si5 N6 U2 135.6(7) . .
C54 N6 U2 109.8(9) . .
C54 N6 Si5 114.5(10) . .
N6 Si5 C45 112.3(7) . .
N6 Si5 C48 110.1(7) . .
N6 Si5 C51 110.4(7) . .
C45 Si5 C51 105.8(7) . .
C48 Si5 C45 105.8(8) . .
C48 Si5 C51 112.4(8) . .
Si5 C45 H45 107.7 . .
C46 C45 Si5 110.9(12) . .
C46 C45 H45 107.7 . .
C46 C45 C47 110.5(15) . .
C47 C45 Si5 112.1(13) . .
C47 C45 H45 107.7 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46B 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47B 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
Si5 C48 H48 105.9 . .
C49 C48 Si5 115.8(12) . .
C49 C48 H48 105.9 . .
C49 C48 C50 109.1(14) . .
C50 C48 Si5 113.3(12) . .
C50 C48 H48 105.9 . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49B 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C48 C50 H50A 109.5 . .
C48 C50 H50B 109.5 . .
C48 C50 H50C 109.5 . .
H50A C50 H50B 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
Si5 C51 H51 105.1 . .
C52 C51 Si5 115.2(12) . .
C52 C51 H51 105.1 . .
C52 C51 C53 109.1(14) . .
C53 C51 Si5 116.0(12) . .
C53 C51 H51 105.1 . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52B 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C51 C53 H53A 109.5 . .
C51 C53 H53B 109.5 . .
C51 C53 H53C 109.5 . .
H53A C53 H53B 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N6 C54 H54A 109.7 . .
N6 C54 H54B 109.7 . .
N6 C54 C55 109.6(13) . .
H54A C54 H54B 108.2 . .
C55 C54 H54A 109.7 . .
C55 C54 H54B 109.7 . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 108.1 . .
N8 C55 C54 110.9(13) . .
N8 C55 H55A 109.5 . .
N8 C55 H55B 109.5 . .
Si6 N7 U2 135.0(7) . .
C65 N7 U2 109.5(9) . .
C65 N7 Si6 115.5(10) . .
N7 Si6 C56 114.8(7) . .
N7 Si6 C59 108.2(7) . .
N7 Si6 C62 110.3(7) . .
C56 Si6 C62 105.4(7) . .
C59 Si6 C56 106.5(7) . .
C59 Si6 C62 111.6(7) . .
Si6 C56 H56 107.3 . .
C57 C56 Si6 112.1(11) . .
C57 C56 H56 107.3 . .
C57 C56 C58 110.3(13) . .
C58 C56 Si6 112.3(11) . .
C58 C56 H56 107.3 . .
C56 C57 H57A 109.5 . .
C56 C57 H57B 109.5 . .
C56 C57 H57C 109.5 . .
H57A C57 H57B 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C56 C58 H58A 109.5 . .
C56 C58 H58B 109.5 . .
C56 C58 H58C 109.5 . .
H58A C58 H58B 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
Si6 C59 H59 106.3 . .
C60 C59 Si6 110.8(11) . .
C60 C59 H59 106.3 . .
C60 C59 C61 109.4(13) . .
C61 C59 Si6 117.2(11) . .
C61 C59 H59 106.3 . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60B 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C59 C61 H61A 109.5 . .
C59 C61 H61B 109.5 . .
C59 C61 H61C 109.5 . .
H61A C61 H61B 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
Si6 C62 H62 105.4 . .
C63 C62 Si6 114.8(11) . .
C63 C62 H62 105.4 . .
C64 C62 Si6 115.2(11) . .
C64 C62 H62 105.4 . .
C64 C62 C63 109.6(13) . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63B 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C62 C64 H64A 109.5 . .
C62 C64 H64B 109.5 . .
C62 C64 H64C 109.5 . .
H64A C64 H64B 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
N7 C65 H65A 110.0 . .
N7 C65 H65B 110.0 . .
H65A C65 H65B 108.4 . .
C66 C65 N7 108.6(12) . .
C66 C65 H65A 110.0 . .
C66 C65 H65B 110.0 . .
C65 C66 H66A 110.0 . .
C65 C66 H66B 110.0 . .
H66A C66 H66B 108.4 . .
N8 C66 C65 108.3(12) . .
N8 C66 H66A 110.0 . .
N8 C66 H66B 110.0 . .
C44 N8 U2 105.9(9) . .
C44 N8 C66 112.7(13) . .
C55 N8 U2 106.3(9) . .
C55 N8 C44 111.9(13) . .
C55 N8 C66 112.8(12) . .
C66 N8 U2 106.6(9) . .
As3 U3 N12 178.6(4) . .
N9 U3 As3 110.2(4) . .
N9 U3 N10 109.5(7) . .
N9 U3 N11 106.6(6) . .
N9 U3 N12 68.4(6) . .
N10 U3 As3 111.9(5) . .
N10 U3 N12 69.2(6) . .
N11 U3 As3 110.4(4) . .
N11 U3 N10 108.1(7) . .
N11 U3 N12 69.9(5) . .
K1 As3 K2 70.92(19) . .
K1 As3 K5 55.4(2) . .
K1 As3 K6A 68.5(3) . .
K1 As3 K8 70.90(13) . .
K2 As3 K5 65.9(3) . .
K2 As3 K8 97.7(3) . .
K2A As3 K1 77.2(4) . .
K2A As3 K5 50.0(5) . .
K2A As3 K6A 99.2(6) . .
K2A As3 K8 120.5(6) . .
U3 As3 K1 175.22(12) . .
U3 As3 K2 111.43(17) . .
U3 As3 K2A 106.7(4) . .
U3 As3 K5 129.24(19) . .
U3 As3 K6 108.72(14) . .
U3 As3 K6A 113.1(3) . .
U3 As3 K8 104.48(11) . .
K6 As3 K1 71.29(15) . .
K6 As3 K2 131.5(3) . .
K6 As3 K5 67.9(3) . .
K6 As3 K8 97.6(2) . .
K6A As3 K5 50.1(4) . .
K8 As3 K5 126.3(2) . .
K8 As3 K6A 113.0(4) . .
As1 K5 As2 93.2(3) . .
As1 K5 As3 92.7(3) . .
As3 K5 As2 90.5(3) . .
As3 K6 As2 107.1(2) . .
As2 K6A As3 111.2(5) . .
Si7 N9 U3 134.4(9) . .
C76 N9 U3 109.1(14) . .
C76 N9 Si7 116.4(14) . .
N9 Si7 C67 106.6(9) . .
N9 Si7 C70 113.3(10) . .
N9 Si7 C73 111.5(9) . .
C67 Si7 C70 106.7(9) . .
C67 Si7 C73 114.5(11) . .
C73 Si7 C70 104.4(9) . .
Si7 C67 H67 105.5 . .
C68 C67 Si7 116.2(14) . .
C68 C67 H67 105.5 . .
C68 C67 C69 108.3(19) . .
C69 C67 Si7 114.7(14) . .
C69 C67 H67 105.5 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68B 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69B 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
Si7 C70 H70 108.0 . .
C71 C70 Si7 111.9(14) . .
C71 C70 H70 108.0 . .
C71 C70 C72 111(2) . .
C72 C70 Si7 110.2(14) . .
C72 C70 H70 108.0 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71B 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C70 C72 H72A 109.5 . .
C70 C72 H72B 109.5 . .
C70 C72 H72C 109.5 . .
H72A C72 H72B 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
Si7 C73 H73 104.9 . .
C74 C73 Si7 114.7(14) . .
C74 C73 H73 104.9 . .
C75 C73 Si7 113.8(16) . .
C75 C73 H73 104.9 . .
C75 C73 C74 112(2) . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74B 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C73 C75 H75A 109.5 . .
C73 C75 H75B 109.5 . .
C73 C75 H75C 109.5 . .
H75A C75 H75B 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
N9 C76 H76A 110.0 . .
N9 C76 H76B 110.0 . .
N9 C76 C77 108.4(16) . .
H76A C76 H76B 108.4 . .
C77 C76 H76A 110.0 . .
C77 C76 H76B 110.0 . .
C76 C77 H77A 110.0 . .
C76 C77 H77B 110.0 . .
H77A C77 H77B 108.4 . .
N12 C77 C76 108.3(17) . .
N12 C77 H77A 110.0 . .
N12 C77 H77B 110.0 . .
Si8 N10 U3 137.8(10) . .
C87 N10 U3 108.7(14) . .
C87 N10 Si8 113.5(15) . .
N10 Si8 C78 109.1(11) . .
N10 Si8 C81 110.8(11) . .
N10 Si8 C84 114.5(12) . .
C78 Si8 C81 106.9(12) . .
C84 Si8 C78 103.0(12) . .
C84 Si8 C81 112.0(13) . .
Si8 C78 H78 101.8 . .
C79 C78 Si8 114.2(19) . .
C79 C78 H78 101.8 . .
C79 C78 C80 114(2) . .
C80 C78 Si8 120(2) . .
C80 C78 H78 101.8 . .
C78 C79 H79A 109.5 . .
C78 C79 H79B 109.5 . .
C78 C79 H79C 109.5 . .
H79A C79 H79B 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C78 C80 H80A 109.5 . .
C78 C80 H80B 109.5 . .
C78 C80 H80C 109.5 . .
H80A C80 H80B 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
Si8 C81 H81 107.4 . .
C82 C81 Si8 115(2) . .
C82 C81 H81 107.4 . .
C82 C81 C83 112(2) . .
C83 C81 Si8 108(2) . .
C83 C81 H81 107.4 . .
C81 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
C81 C82 H82C 109.5 . .
H82A C82 H82B 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C81 C83 H83A 109.5 . .
C81 C83 H83B 109.5 . .
C81 C83 H83C 109.5 . .
H83A C83 H83B 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
Si8 C84 H84 102.5 . .
C85 C84 Si8 118(2) . .
C85 C84 H84 102.5 . .
C85 C84 C86 109(2) . .
C86 C84 Si8 119(2) . .
C86 C84 H84 102.5 . .
C84 C85 H85A 109.5 . .
C84 C85 H85B 109.5 . .
C84 C85 H85C 109.5 . .
H85A C85 H85B 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C84 C86 H86A 109.5 . .
C84 C86 H86B 109.5 . .
C84 C86 H86C 109.5 . .
H86A C86 H86B 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
N10 C87 H87A 109.8 . .
N10 C87 H87B 109.8 . .
N10 C87 C88 110(2) . .
H87A C87 H87B 108.2 . .
C88 C87 H87A 109.8 . .
C88 C87 H87B 109.8 . .
C87 C88 H88A 109.4 . .
C87 C88 H88B 109.4 . .
H88A C88 H88B 108.0 . .
N12 C88 C87 111.3(17) . .
N12 C88 H88A 109.4 . .
N12 C88 H88B 109.4 . .
Si9 N11 U3 135.1(10) . .
C98 N11 U3 107.1(12) . .
C98 N11 Si9 116.7(13) . .
N11 Si9 C89 107.2(10) . .
N11 Si9 C92 109.3(10) . .
N11 Si9 C95 111.0(9) . .
C89 Si9 C95 107.9(11) . .
C92 Si9 C89 113.9(11) . .
C92 Si9 C95 107.5(10) . .
Si9 C89 H89 102.8 . .
C90 C89 Si9 111.9(16) . .
C90 C89 H89 102.8 . .
C91 C89 Si9 118.3(17) . .
C91 C89 H89 102.8 . .
C91 C89 C90 115(2) . .
C89 C90 H90A 109.5 . .
C89 C90 H90B 109.5 . .
C89 C90 H90C 109.5 . .
H90A C90 H90B 109.5 . .
H90A C90 H90C 109.5 . .
H90B C90 H90C 109.5 . .
C89 C91 H91A 109.5 . .
C89 C91 H91B 109.5 . .
C89 C91 H91C 109.5 . .
H91A C91 H91B 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
Si9 C92 H92 104.6 . .
C93 C92 Si9 109.8(15) . .
C93 C92 H92 104.6 . .
C94 C92 Si9 117.0(18) . .
C94 C92 H92 104.6 . .
C94 C92 C93 114.9(19) . .
C92 C93 H93A 109.5 . .
C92 C93 H93B 109.5 . .
C92 C93 H93C 109.5 . .
H93A C93 H93B 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C92 C94 H94A 109.5 . .
C92 C94 H94B 109.5 . .
C92 C94 H94C 109.5 . .
H94A C94 H94B 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
Si9 C95 H95 105.1 . .
C96 C95 Si9 113.4(15) . .
C96 C95 H95 105.1 . .
C97 C95 Si9 113.2(17) . .
C97 C95 H95 105.1 . .
C97 C95 C96 113.7(18) . .
C95 C96 H96A 109.5 . .
C95 C96 H96B 109.5 . .
C95 C96 H96C 109.5 . .
H96A C96 H96B 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
C95 C97 H97A 109.5 . .
C95 C97 H97B 109.5 . .
C95 C97 H97C 109.5 . .
H97A C97 H97B 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
N11 C98 H98A 109.1 . .
N11 C98 H98B 109.1 . .
N11 C98 C99 112.5(19) . .
H98A C98 H98B 107.8 . .
C99 C98 H98A 109.1 . .
C99 C98 H98B 109.1 . .
C98 C99 H99A 109.9 . .
C98 C99 H99B 109.9 . .
H99A C99 H99B 108.3 . .
N12 C99 C98 108.9(16) . .
N12 C99 H99A 109.9 . .
N12 C99 H99B 109.9 . .
C77 N12 U3 107.2(11) . .
C77 N12 C88 116.0(17) . .
C88 N12 U3 104.3(12) . .
C99 N12 U3 106.1(11) . .
C99 N12 C77 110.8(19) . .
C99 N12 C88 111.7(17) . .
As4 U4 N16 179.6(5) . .
N13 U4 As4 110.1(5) . .
N13 U4 N14 108.7(8) . .
N13 U4 N15 110.1(7) . .
N13 U4 N16 69.5(7) . .
N14 U4 As4 110.6(6) . .
N14 U4 N15 105.1(8) . .
N14 U4 N16 69.7(7) . .
N15 U4 As4 112.0(5) . .
N15 U4 N16 68.1(7) . .
K1 As4 K3 67.84(13) . .
K1 As4 K7 68.88(15) . .
U4 As4 K1 175.13(12) . .
U4 As4 K3 109.72(11) . .
U4 As4 K7 115.99(15) . .
U4 As4 K8 104.82(13) . .
K7 As4 K3 107.9(2) . .
K8 As4 K1 72.81(14) . .
K8 As4 K3 111.0(2) . .
K8 As4 K7 107.3(2) . .
As2 K7 As4 110.9(2) . .
As4 K8 As3 108.06(16) . .
Si10 N13 U4 136.1(10) . .
C109 N13 U4 108.0(14) . .
C109 N13 Si10 115.7(15) . .
N13 Si10 C100 110.1(11) . .
N13 Si10 C103 110.8(11) . .
N13 Si10 C106 118.7(11) . .
C100 Si10 C106 103.4(11) . .
C103 Si10 C100 104.4(12) . .
C103 Si10 C106 108.3(12) . .
Si10 C100 H100 97.9 . .
C101 C100 Si10 114.9(18) . .
C101 C100 H100 97.9 . .
C102 C100 Si10 126(2) . .
C102 C100 H100 97.9 . .
C102 C100 C101 114(2) . .
C100 C101 H10C 109.5 . .
C100 C101 H10D 109.5 . .
C100 C101 H10E 109.5 . .
H10C C101 H10D 109.5 . .
H10C C101 H10E 109.5 . .
H10D C101 H10E 109.5 . .
C100 C102 H10F 109.5 . .
C100 C102 H10G 109.5 . .
C100 C102 H10H 109.5 . .
H10F C102 H10G 109.5 . .
H10F C102 H10H 109.5 . .
H10G C102 H10H 109.5 . .
Si10 C103 H103 104.3 . .
C104 C103 Si10 116(2) . .
C104 C103 H103 104.3 . .
C104 C103 C105 109(2) . .
C105 C103 Si10 118(2) . .
C105 C103 H103 104.3 . .
C103 C104 H10I 109.5 . .
C103 C104 H10J 109.5 . .
C103 C104 H10K 109.5 . .
H10I C104 H10J 109.5 . .
H10I C104 H10K 109.5 . .
H10J C104 H10K 109.5 . .
C103 C105 H10L 109.5 . .
C103 C105 H10M 109.5 . .
C103 C105 H10N 109.5 . .
H10L C105 H10M 109.5 . .
H10L C105 H10N 109.5 . .
H10M C105 H10N 109.5 . .
Si10 C106 H106 104.3 . .
C107 C106 Si10 119.7(19) . .
C107 C106 H106 104.3 . .
C107 C106 C108 107(2) . .
C108 C106 Si10 115.0(18) . .
C108 C106 H106 104.3 . .
C106 C107 H10O 109.5 . .
C106 C107 H10P 109.5 . .
C106 C107 H10Q 109.5 . .
H10O C107 H10P 109.5 . .
H10O C107 H10Q 109.5 . .
H10P C107 H10Q 109.5 . .
C106 C108 H10R 109.5 . .
C106 C108 H10S 109.5 . .
C106 C108 H10T 109.5 . .
H10R C108 H10S 109.5 . .
H10R C108 H10T 109.5 . .
H10S C108 H10T 109.5 . .
N13 C109 H10U 109.6 . .
N13 C109 H10V 109.6 . .
N13 C109 C110 110(2) . .
H10U C109 H10V 108.1 . .
C110 C109 H10U 109.6 . .
C110 C109 H10V 109.6 . .
C109 C110 H11C 110.3 . .
C109 C110 H11D 110.3 . .
H11C C110 H11D 108.6 . .
N16 C110 C109 107.0(19) . .
N16 C110 H11C 110.3 . .
N16 C110 H11D 110.3 . .
Si11 N14 U4 136.5(13) . .
C120 N14 U4 109.3(15) . .
C120 N14 Si11 114.2(16) . .
N14 Si11 C111 108.2(12) . .
N14 Si11 C114 109.0(12) . .
N14 Si11 C117 114.0(13) . .
C111 Si11 C114 112.6(14) . .
C111 Si11 C117 111.1(14) . .
C117 Si11 C114 101.9(12) . .
Si11 C111 H111 102.4 . .
C112 C111 Si11 122(2) . .
C112 C111 H111 102.4 . .
C112 C111 C113 110(3) . .
C113 C111 Si11 114(2) . .
C113 C111 H111 102.4 . .
C111 C112 H11E 109.5 . .
C111 C112 H11F 109.5 . .
C111 C112 H11G 109.5 . .
H11E C112 H11F 109.5 . .
H11E C112 H11G 109.5 . .
H11F C112 H11G 109.5 . .
C111 C113 H11H 109.5 . .
C111 C113 H11I 109.5 . .
C111 C113 H11J 109.5 . .
H11H C113 H11I 109.5 . .
H11H C113 H11J 109.5 . .
H11I C113 H11J 109.5 . .
Si11 C114 H114 108.4 . .
C115 C114 Si11 115(2) . .
C115 C114 H114 108.4 . .
C115 C114 C116 106(3) . .
C116 C114 Si11 110(2) . .
C116 C114 H114 108.4 . .
C114 C115 H11K 109.5 . .
C114 C115 H11L 109.5 . .
C114 C115 H11M 109.5 . .
H11K C115 H11L 109.5 . .
H11K C115 H11M 109.5 . .
H11L C115 H11M 109.5 . .
C114 C116 H11N 109.5 . .
C114 C116 H11O 109.5 . .
C114 C116 H11P 109.5 . .
H11N C116 H11O 109.5 . .
H11N C116 H11P 109.5 . .
H11O C116 H11P 109.5 . .
Si11 C117 H117 106.7 . .
C118 C117 Si11 112(2) . .
C118 C117 H117 106.7 . .
C118 C117 C119 108(2) . .
C119 C117 Si11 116.7(19) . .
C119 C117 H117 106.7 . .
C117 C118 H11Q 109.5 . .
C117 C118 H11R 109.5 . .
C117 C118 H11S 109.5 . .
H11Q C118 H11R 109.5 . .
H11Q C118 H11S 109.5 . .
H11R C118 H11S 109.5 . .
C117 C119 H11T 109.5 . .
C117 C119 H11U 109.5 . .
C117 C119 H11V 109.5 . .
H11T C119 H11U 109.5 . .
H11T C119 H11V 109.5 . .
H11U C119 H11V 109.5 . .
N14 C120 H12A 109.8 . .
N14 C120 H12B 109.8 . .
H12A C120 H12B 108.2 . .
C121 C120 N14 109(2) . .
C121 C120 H12A 109.8 . .
C121 C120 H12B 109.8 . .
C120 C121 H12C 109.6 . .
C120 C121 H12D 109.6 . .
C120 C121 N16 110(2) . .
H12C C121 H12D 108.1 . .
N16 C121 H12C 109.6 . .
N16 C121 H12D 109.6 . .
Si12 N15 U4 133.3(10) . .
C131 N15 U4 109.8(17) . .
C131 N15 Si12 116.9(18) . .
N15 Si12 C122 107.4(11) . .
N15 Si12 C125 110.3(12) . .
N15 Si12 C128 112.8(11) . .
C122 Si12 C128 114.4(12) . .
C125 Si12 C122 105.8(11) . .
C125 Si12 C128 105.9(11) . .
Si12 C122 H122 103.9 . .
C123 C122 Si12 113.8(18) . .
C123 C122 H122 103.9 . .
C123 C122 C124 111(2) . .
C124 C122 Si12 118.5(18) . .
C124 C122 H122 103.9 . .
C122 C123 H12E 109.5 . .
C122 C123 H12F 109.5 . .
C122 C123 H12G 109.5 . .
H12E C123 H12F 109.5 . .
H12E C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
C122 C124 H12H 109.5 . .
C122 C124 H12I 109.5 . .
C122 C124 H12J 109.5 . .
H12H C124 H12I 109.5 . .
H12H C124 H12J 109.5 . .
H12I C124 H12J 109.5 . .
Si12 C125 H125 105.4 . .
C126 C125 Si12 113.9(18) . .
C126 C125 H125 105.4 . .
C126 C125 C127 110(2) . .
C127 C125 Si12 115.8(18) . .
C127 C125 H125 105.4 . .
C125 C126 H12K 109.5 . .
C125 C126 H12L 109.5 . .
C125 C126 H12M 109.5 . .
H12K C126 H12L 109.5 . .
H12K C126 H12M 109.5 . .
H12L C126 H12M 109.5 . .
C125 C127 H12N 109.5 . .
C125 C127 H12O 109.5 . .
C125 C127 H12P 109.5 . .
H12N C127 H12O 109.5 . .
H12N C127 H12P 109.5 . .
H12O C127 H12P 109.5 . .
Si12 C128 H128 110.4 . .
C129 C128 Si12 112.5(17) . .
C129 C128 H128 110.4 . .
C129 C128 C130 107(2) . .
C130 C128 Si12 105.8(17) . .
C130 C128 H128 110.4 . .
C128 C129 H12Q 109.5 . .
C128 C129 H12R 109.5 . .
C128 C129 H12S 109.5 . .
H12Q C129 H12R 109.5 . .
H12Q C129 H12S 109.5 . .
H12R C129 H12S 109.5 . .
C128 C130 H13D 109.5 . .
C128 C130 H13E 109.5 . .
C128 C130 H13F 109.5 . .
H13D C130 H13E 109.5 . .
H13D C130 H13F 109.5 . .
H13E C130 H13F 109.5 . .
N15 C131 H13G 109.4 . .
N15 C131 H13H 109.4 . .
N15 C131 C132 111.3(19) . .
H13G C131 H13H 108.0 . .
C132 C131 H13G 109.4 . .
C132 C131 H13H 109.4 . .
C131 C132 H13I 110.0 . .
C131 C132 H13J 110.0 . .
H13I C132 H13J 108.3 . .
N16 C132 C131 109(2) . .
N16 C132 H13I 110.0 . .
N16 C132 H13J 110.0 . .
C110 N16 U4 106.1(14) . .
C110 N16 C121 111(2) . .
C110 N16 C132 112.4(19) . .
C121 N16 U4 104.1(14) . .
C121 N16 C132 115(2) . .
C132 N16 U4 107.3(14) . .
C134 C133 H133 120.0 . .
C138 C133 H133 120.0 . .
C138 C133 C134 120(2) . .
C133 C134 H134 119.3 . .
C135 C134 C133 121(2) . .
C135 C134 H134 119.3 . .
C134 C135 H135 120.3 . .
C136 C135 C134 119(2) . .
C136 C135 H135 120.3 . .
C135 C136 H136 120.9 . .
C135 C136 C137 118(2) . .
C137 C136 H136 120.9 . .
C136 C137 H137 118.5 . .
C138 C137 C136 123(2) . .
C138 C137 H137 118.5 . .
C133 C138 H138 121.2 . .
C137 C138 C133 118(2) . .
C137 C138 H138 121.2 . .
C142 C143 H143 120.0 . .
C142 C143 C144 120.0 . .
C144 C143 H143 120.0 . .
C143 C142 H142 120.0 . .
C141 C142 C143 120.0 . .
C141 C142 H142 120.0 . .
C142 C141 H141 120.0 . .
C142 C141 C140 120.0 . .
C140 C141 H141 120.0 . .
C141 C140 H140 120.0 . .
C141 C140 C139 120.0 . .
C139 C140 H140 120.0 . .
C140 C139 H139 120.0 . .
C144 C139 C140 120.0 . .
C144 C139 H139 120.0 . .
C143 C144 H144 120.0 . .
C139 C144 C143 120.0 . .
C139 C144 H144 120.0 . .
C155 C156 H156 120.0 . .
C155 C156 C151 120.0 . .
C151 C156 H156 120.0 . .
C156 C155 H155 120.0 . .
C156 C155 C154 120.0 . .
C154 C155 H155 120.0 . .
C155 C154 H154 120.0 . .
C153 C154 C155 120.0 . .
C153 C154 H154 120.0 . .
C154 C153 H153 120.0 . .
C154 C153 C152 120.0 . .
C152 C153 H153 120.0 . .
C153 C152 H152 120.0 . .
C151 C152 C153 120.0 . .
C151 C152 H152 120.0 . .
C156 C151 H151 120.0 . .
C152 C151 C156 120.0 . .
C152 C151 H151 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 As1 2.774(2) .
U1 N1 2.324(12) .
U1 N2 2.309(13) .
U1 N3 2.289(13) .
U1 N4 2.761(13) .
As1 K1 3.338(5) .
As1 K2 3.234(9) .
As1 K2A 3.51(2) .
As1 K3 3.313(6) .
As1 K4 3.450(9) .
As1 K5 3.632(11) .
K1 As2 3.297(5) .
K1 As3 3.286(5) .
K1 As4 3.253(5) .
K2 As3 3.322(9) .
K2A As3 3.15(2) .
N1 Si1 1.705(13) .
N1 C10 1.523(19) .
Si1 C1 1.891(17) .
Si1 C4 1.893(16) .
Si1 C7 1.932(15) .
C1 H1 1.0000 .
C1 C2 1.55(2) .
C1 C3 1.54(2) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4 1.0000 .
C4 C5 1.55(2) .
C4 C6 1.49(2) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7 1.0000 .
C7 C8 1.51(2) .
C7 C9 1.53(2) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 C11 1.50(2) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 N4 1.46(2) .
N2 Si2 1.720(15) .
N2 C21 1.49(2) .
Si2 C12 1.945(19) .
Si2 C15 1.89(2) .
Si2 C18 1.95(2) .
C12 H12 1.0000 .
C12 C13 1.52(3) .
C12 C14 1.53(3) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15 1.0000 .
C15 C16 1.50(3) .
C15 C17 1.54(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18 1.0000 .
C18 C19 1.53(2) .
C18 C20 1.47(3) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C21 C22 1.53(2) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C22 N4 1.472(19) .
N3 Si3 1.741(14) .
N3 C32 1.50(2) .
Si3 C23 1.929(18) .
Si3 C26 1.884(19) .
Si3 C29 1.941(18) .
C23 H23 1.0000 .
C23 C24 1.54(3) .
C23 C25 1.45(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26 1.0000 .
C26 C27 1.51(2) .
C26 C28 1.52(2) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29 1.0000 .
C29 C30 1.53(2) .
C29 C31 1.55(2) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C32 C33 1.51(2) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C33 N4 1.47(2) .
U2 As2 2.7568(19) .
U2 N5 2.340(13) .
U2 N6 2.297(13) .
U2 N7 2.321(12) .
U2 N8 2.761(13) .
As2 K4 3.214(7) .
As2 K5 3.849(13) .
As2 K6 3.365(8) .
As2 K6A 3.107(15) .
As2 K7 3.269(8) .
K3 As4 3.318(6) .
N5 Si4 1.696(15) .
N5 C43 1.50(2) .
Si4 C34 1.933(19) .
Si4 C37 1.91(2) .
Si4 C40 1.930(19) .
C34 H34 1.0000 .
C34 C35 1.52(3) .
C34 C36 1.55(3) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37 1.0000 .
C37 C38 1.53(3) .
C37 C39 1.52(2) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40 1.0000 .
C40 C41 1.52(3) .
C40 C42 1.55(2) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C43 C44 1.53(2) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C44 N8 1.47(2) .
N6 Si5 1.724(14) .
N6 C54 1.49(2) .
Si5 C45 1.922(17) .
Si5 C48 1.882(18) .
Si5 C51 1.923(17) .
C45 H45 1.0000 .
C45 C46 1.50(3) .
C45 C47 1.51(2) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48 1.0000 .
C48 C49 1.53(2) .
C48 C50 1.55(2) .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51 1.0000 .
C51 C52 1.51(2) .
C51 C53 1.52(2) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C54 C55 1.52(2) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C55 N8 1.45(2) .
N7 Si6 1.721(13) .
N7 C65 1.510(19) .
Si6 C56 1.894(17) .
Si6 C59 1.876(15) .
Si6 C62 1.929(15) .
C56 H56 1.0000 .
C56 C57 1.53(2) .
C56 C58 1.55(2) .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59 1.0000 .
C59 C60 1.53(2) .
C59 C61 1.53(2) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62 1.0000 .
C62 C63 1.55(2) .
C62 C64 1.51(2) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C65 C66 1.50(2) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C66 N8 1.50(2) .
U3 As3 2.7425(19) .
U3 N9 2.299(18) .
U3 N10 2.32(2) .
U3 N11 2.312(16) .
U3 N12 2.754(16) .
As3 K5 3.660(12) .
As3 K6 3.269(7) .
As3 K6A 3.359(15) .
As3 K8 3.331(7) .
N9 Si7 1.70(2) .
N9 C76 1.50(2) .
Si7 C67 1.88(2) .
Si7 C70 1.93(2) .
Si7 C73 1.89(2) .
C67 H67 1.0000 .
C67 C68 1.54(3) .
C67 C69 1.56(3) .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 H70 1.0000 .
C70 C71 1.51(3) .
C70 C72 1.53(3) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 H73 1.0000 .
C73 C74 1.57(3) .
C73 C75 1.46(3) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 H76A 0.9900 .
C76 H76B 0.9900 .
C76 C77 1.53(3) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C77 N12 1.45(3) .
N10 Si8 1.74(2) .
N10 C87 1.46(3) .
Si8 C78 1.90(3) .
Si8 C81 1.92(3) .
Si8 C84 1.87(2) .
C78 H78 1.0000 .
C78 C79 1.46(4) .
C78 C80 1.50(4) .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 H81 1.0000 .
C81 C82 1.46(4) .
C81 C83 1.55(4) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84 1.0000 .
C84 C85 1.32(4) .
C84 C86 1.49(4) .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C87 C88 1.49(3) .
C88 H88A 0.9900 .
C88 H88B 0.9900 .
C88 N12 1.49(3) .
N11 Si9 1.722(18) .
N11 C98 1.47(3) .
Si9 C89 1.86(2) .
Si9 C92 1.86(2) .
Si9 C95 1.98(2) .
C89 H89 1.0000 .
C89 C90 1.51(3) .
C89 C91 1.47(3) .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
C92 H92 1.0000 .
C92 C93 1.54(3) .
C92 C94 1.52(3) .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
C95 H95 1.0000 .
C95 C96 1.58(3) .
C95 C97 1.49(3) .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
C98 C99 1.52(3) .
C99 H99A 0.9900 .
C99 H99B 0.9900 .
C99 N12 1.44(3) .
U4 As4 2.730(2) .
U4 N13 2.30(2) .
U4 N14 2.314(19) .
U4 N15 2.33(2) .
U4 N16 2.76(2) .
As4 K7 3.304(7) .
As4 K8 3.214(6) .
N13 Si10 1.76(2) .
N13 C109 1.48(3) .
Si10 C100 1.87(3) .
Si10 C103 1.85(3) .
Si10 C106 1.90(2) .
C100 H100 1.0000 .
C100 C101 1.54(4) .
C100 C102 1.48(4) .
C101 H10C 0.9800 .
C101 H10D 0.9800 .
C101 H10E 0.9800 .
C102 H10F 0.9800 .
C102 H10G 0.9800 .
C102 H10H 0.9800 .
C103 H103 1.0000 .
C103 C104 1.53(4) .
C103 C105 1.54(4) .
C104 H10I 0.9800 .
C104 H10J 0.9800 .
C104 H10K 0.9800 .
C105 H10L 0.9800 .
C105 H10M 0.9800 .
C105 H10N 0.9800 .
C106 H106 1.0000 .
C106 C107 1.51(4) .
C106 C108 1.57(3) .
C107 H10O 0.9800 .
C107 H10P 0.9800 .
C107 H10Q 0.9800 .
C108 H10R 0.9800 .
C108 H10S 0.9800 .
C108 H10T 0.9800 .
C109 H10U 0.9900 .
C109 H10V 0.9900 .
C109 C110 1.54(4) .
C110 H11C 0.9900 .
C110 H11D 0.9900 .
C110 N16 1.48(3) .
N14 Si11 1.68(2) .
N14 C120 1.50(3) .
Si11 C111 1.86(3) .
Si11 C114 1.96(3) .
Si11 C117 1.89(3) .
C111 H111 1.0000 .
C111 C112 1.47(4) .
C111 C113 1.48(4) .
C112 H11E 0.9800 .
C112 H11F 0.9800 .
C112 H11G 0.9800 .
C113 H11H 0.9800 .
C113 H11I 0.9800 .
C113 H11J 0.9800 .
C114 H114 1.0000 .
C114 C115 1.39(4) .
C114 C116 1.53(4) .
C115 H11K 0.9800 .
C115 H11L 0.9800 .
C115 H11M 0.9800 .
C116 H11N 0.9800 .
C116 H11O 0.9800 .
C116 H11P 0.9800 .
C117 H117 1.0000 .
C117 C118 1.491(10) .
C117 C119 1.61(4) .
C118 H11Q 0.9800 .
C118 H11R 0.9800 .
C118 H11S 0.9800 .
C119 H11T 0.9800 .
C119 H11U 0.9800 .
C119 H11V 0.9800 .
C120 H12A 0.9900 .
C120 H12B 0.9900 .
C120 C121 1.48(3) .
C121 H12C 0.9900 .
C121 H12D 0.9900 .
C121 N16 1.48(3) .
N15 Si12 1.71(2) .
N15 C131 1.46(3) .
Si12 C122 1.91(2) .
Si12 C125 1.90(2) .
Si12 C128 1.96(3) .
C122 H122 1.0000 .
C122 C123 1.50(3) .
C122 C124 1.51(4) .
C123 H12E 0.9800 .
C123 H12F 0.9800 .
C123 H12G 0.9800 .
C124 H12H 0.9800 .
C124 H12I 0.9800 .
C124 H12J 0.9800 .
C125 H125 1.0000 .
C125 C126 1.49(4) .
C125 C127 1.54(3) .
C126 H12K 0.9800 .
C126 H12L 0.9800 .
C126 H12M 0.9800 .
C127 H12N 0.9800 .
C127 H12O 0.9800 .
C127 H12P 0.9800 .
C128 H128 1.0000 .
C128 C129 1.56(3) .
C128 C130 1.66(4) .
C129 H12Q 0.9800 .
C129 H12R 0.9800 .
C129 H12S 0.9800 .
C130 H13D 0.9800 .
C130 H13E 0.9800 .
C130 H13F 0.9800 .
C131 H13G 0.9900 .
C131 H13H 0.9900 .
C131 C132 1.51(3) .
C132 H13I 0.9900 .
C132 H13J 0.9900 .
C132 N16 1.49(3) .
C133 H133 0.9500 .
C133 C134 1.376(10) .
C133 C138 1.376(10) .
C134 H134 0.9500 .
C134 C135 1.376(10) .
C135 H135 0.9500 .
C135 C136 1.376(10) .
C136 H136 0.9500 .
C136 C137 1.376(10) .
C137 H137 0.9500 .
C137 C138 1.376(10) .
C138 H138 0.9500 .
C143 H143 0.9500 .
C143 C142 1.3900 .
C143 C144 1.3900 .
C142 H142 0.9500 .
C142 C141 1.3900 .
C141 H141 0.9500 .
C141 C140 1.3900 .
C140 H140 0.9500 .
C140 C139 1.3900 .
C139 H139 0.9500 .
C139 C144 1.3900 .
C144 H144 0.9500 .
C156 H156 0.9500 .
C156 C155 1.3900 .
C156 C151 1.3900 .
C155 H155 0.9500 .
C155 C154 1.3900 .
C154 H154 0.9500 .
C154 C153 1.3900 .
C153 H153 0.9500 .
C153 C152 1.3900 .
C152 H152 0.9500 .
C152 C151 1.3900 .
C151 H151 0.9500 .
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
U1 N1 Si1 C1 -105.4(10) . . . .
U1 N1 Si1 C4 12.0(12) . . . .
U1 N1 Si1 C7 135.1(9) . . . .
U1 N1 C10 C11 -70.0(12) . . . .
U1 N2 Si2 C12 -107.8(12) . . . .
U1 N2 Si2 C15 8.9(14) . . . .
U1 N2 Si2 C18 133.1(11) . . . .
U1 N2 C21 C22 -68.9(14) . . . .
U1 N3 Si3 C23 -102.9(12) . . . .
U1 N3 Si3 C26 14.2(14) . . . .
U1 N3 Si3 C29 139.3(11) . . . .
U1 N3 C32 C33 -69.2(13) . . . .
N1 Si1 C1 C2 -54.2(13) . . . .
N1 Si1 C1 C3 70.2(13) . . . .
N1 Si1 C4 C5 179.1(11) . . . .
N1 Si1 C4 C6 50.6(13) . . . .
N1 C10 C11 N4 65.0(15) . . . .
Si1 N1 C10 C11 106.5(13) . . . .
C1 Si1 C4 C5 -59.4(13) . . . .
C1 Si1 C4 C6 172.1(12) . . . .
C4 Si1 C1 C2 -172.7(11) . . . .
C4 Si1 C1 C3 -48.2(13) . . . .
C7 Si1 C1 C2 68.6(13) . . . .
C7 Si1 C1 C3 -167.0(12) . . . .
C7 Si1 C4 C5 55.7(13) . . . .
C7 Si1 C4 C6 -72.7(13) . . . .
C10 N1 Si1 C1 79.4(11) . . . .
C10 N1 Si1 C4 -163.1(10) . . . .
C10 N1 Si1 C7 -40.0(12) . . . .
C10 C11 N4 U1 -28.3(13) . . . .
C10 C11 N4 C22 -144.7(13) . . . .
C10 C11 N4 C33 87.2(15) . . . .
N2 Si2 C15 C16 50.1(17) . . . .
N2 Si2 C15 C17 177.2(13) . . . .
N2 C21 C22 N4 61.9(18) . . . .
Si2 N2 C21 C22 107.3(13) . . . .
C12 Si2 C15 C16 170.7(14) . . . .
C12 Si2 C15 C17 -62.3(16) . . . .
C18 Si2 C15 C16 -73.7(16) . . . .
C18 Si2 C15 C17 53.4(16) . . . .
C21 N2 Si2 C12 77.6(14) . . . .
C21 N2 Si2 C15 -165.7(12) . . . .
C21 N2 Si2 C18 -41.5(14) . . . .
C21 C22 N4 U1 -24.2(15) . . . .
C21 C22 N4 C11 93.1(16) . . . .
C21 C22 N4 C33 -139.1(14) . . . .
N3 Si3 C26 C27 48.7(14) . . . .
N3 Si3 C26 C28 176.0(12) . . . .
N3 C32 C33 N4 61.8(16) . . . .
Si3 N3 C32 C33 110.5(12) . . . .
C23 Si3 C26 C27 169.2(12) . . . .
C23 Si3 C26 C28 -63.6(14) . . . .
C29 Si3 C26 C27 -75.0(14) . . . .
C29 Si3 C26 C28 52.2(14) . . . .
C32 N3 Si3 C23 77.5(13) . . . .
C32 N3 Si3 C26 -165.5(11) . . . .
C32 N3 Si3 C29 -40.4(13) . . . .
C32 C33 N4 U1 -25.6(14) . . . .
C32 C33 N4 C11 -142.2(14) . . . .
C32 C33 N4 C22 89.5(16) . . . .
U2 N5 Si4 C34 -106.9(13) . . . .
U2 N5 Si4 C37 9.5(15) . . . .
U2 N5 Si4 C40 132.9(12) . . . .
U2 N5 C43 C44 -70.4(14) . . . .
U2 N6 Si5 C45 -103.3(11) . . . .
U2 N6 Si5 C48 14.3(13) . . . .
U2 N6 Si5 C51 139.0(10) . . . .
U2 N6 C54 C55 -66.4(13) . . . .
U2 N7 Si6 C56 -105.1(10) . . . .
U2 N7 Si6 C59 13.7(11) . . . .
U2 N7 Si6 C62 136.1(9) . . . .
U2 N7 C65 C66 -69.1(13) . . . .
N5 C43 C44 N8 62.7(17) . . . .
Si4 N5 C43 C44 107.4(13) . . . .
C43 N5 Si4 C34 76.3(14) . . . .
C43 N5 Si4 C37 -167.4(12) . . . .
C43 N5 Si4 C40 -43.9(14) . . . .
C43 C44 N8 U2 -23.9(15) . . . .
C43 C44 N8 C55 -139.3(14) . . . .
C43 C44 N8 C66 92.3(16) . . . .
N6 Si5 C48 C49 50.5(14) . . . .
N6 Si5 C48 C50 177.7(12) . . . .
N6 C54 C55 N8 59.6(17) . . . .
Si5 N6 C54 C55 111.9(13) . . . .
C45 Si5 C48 C49 172.0(12) . . . .
C45 Si5 C48 C50 -60.8(14) . . . .
C51 Si5 C48 C49 -73.0(14) . . . .
C51 Si5 C48 C50 54.1(14) . . . .
C54 N6 Si5 C45 78.9(12) . . . .
C54 N6 Si5 C48 -163.5(11) . . . .
C54 N6 Si5 C51 -38.8(13) . . . .
C54 C55 N8 U2 -24.3(15) . . . .
C54 C55 N8 C44 90.8(16) . . . .
C54 C55 N8 C66 -140.8(13) . . . .
N7 Si6 C56 C57 -52.5(13) . . . .
N7 Si6 C56 C58 72.3(13) . . . .
N7 Si6 C59 C60 177.1(11) . . . .
N7 Si6 C59 C61 50.7(13) . . . .
N7 C65 C66 N8 63.8(15) . . . .
Si6 N7 C65 C66 109.6(12) . . . .
C56 Si6 C59 C60 -58.9(12) . . . .
C56 Si6 C59 C61 174.6(11) . . . .
C59 Si6 C56 C57 -172.2(11) . . . .
C59 Si6 C56 C58 -47.4(13) . . . .
C62 Si6 C56 C57 69.1(13) . . . .
C62 Si6 C56 C58 -166.1(12) . . . .
C62 Si6 C59 C60 55.6(13) . . . .
C62 Si6 C59 C61 -70.8(13) . . . .
C65 N7 Si6 C56 76.8(11) . . . .
C65 N7 Si6 C59 -164.4(10) . . . .
C65 N7 Si6 C62 -42.1(12) . . . .
C65 C66 N8 U2 -28.5(13) . . . .
C65 C66 N8 C44 -144.3(13) . . . .
C65 C66 N8 C55 87.7(15) . . . .
U3 N9 Si7 C67 -10.1(16) . . . .
U3 N9 Si7 C70 106.9(13) . . . .
U3 N9 Si7 C73 -135.7(12) . . . .
U3 N9 C76 C77 69(2) . . . .
U3 N10 Si8 C78 -15(2) . . . .
U3 N10 Si8 C81 102.2(18) . . . .
U3 N10 Si8 C84 -130.0(17) . . . .
U3 N10 C87 C88 67.8(19) . . . .
U3 N11 Si9 C89 7.6(17) . . . .
U3 N11 Si9 C92 131.5(14) . . . .
U3 N11 Si9 C95 -110.1(14) . . . .
U3 N11 C98 C99 66.5(18) . . . .
N9 Si7 C67 C68 -60(2) . . . .
N9 Si7 C67 C69 172.4(16) . . . .
N9 Si7 C73 C74 71.8(18) . . . .
N9 Si7 C73 C75 -156.7(16) . . . .
N9 C76 C77 N12 -64(2) . . . .
Si7 N9 C76 C77 -113.2(18) . . . .
C67 Si7 C73 C74 -49.3(19) . . . .
C67 Si7 C73 C75 82.2(18) . . . .
C70 Si7 C67 C68 178.8(18) . . . .
C70 Si7 C67 C69 51(2) . . . .
C70 Si7 C73 C74 -165.5(16) . . . .
C70 Si7 C73 C75 -34(2) . . . .
C73 Si7 C67 C68 64(2) . . . .
C73 Si7 C67 C69 -63.8(18) . . . .
C76 N9 Si7 C67 172.7(14) . . . .
C76 N9 Si7 C70 -70.3(16) . . . .
C76 N9 Si7 C73 47.0(17) . . . .
C76 C77 N12 U3 27.9(19) . . . .
C76 C77 N12 C88 -88(2) . . . .
C76 C77 N12 C99 143.2(17) . . . .
N10 Si8 C84 C85 66(3) . . . .
N10 Si8 C84 C86 -70(3) . . . .
N10 C87 C88 N12 -63(2) . . . .
Si8 N10 C87 C88 -112.0(19) . . . .
C78 Si8 C84 C85 -52(3) . . . .
C78 Si8 C84 C86 172(2) . . . .
C81 Si8 C84 C85 -167(2) . . . .
C81 Si8 C84 C86 57(3) . . . .
C87 N10 Si8 C78 164.4(17) . . . .
C87 N10 Si8 C81 -78.2(19) . . . .
C87 N10 Si8 C84 50(2) . . . .
C87 C88 N12 U3 26.1(19) . . . .
C87 C88 N12 C77 143.6(18) . . . .
C87 C88 N12 C99 -88(2) . . . .
N11 Si9 C89 C90 -68.4(18) . . . .
N11 Si9 C89 C91 153.6(19) . . . .
N11 Si9 C92 C93 -58.2(18) . . . .
N11 Si9 C92 C94 168.6(17) . . . .
N11 C98 C99 N12 -63(2) . . . .
Si9 N11 C98 C99 -103.4(18) . . . .
C89 Si9 C92 C93 61.7(19) . . . .
C89 Si9 C92 C94 -71(2) . . . .
C92 Si9 C89 C90 170.5(15) . . . .
C92 Si9 C89 C91 33(2) . . . .
C95 Si9 C89 C90 51.3(18) . . . .
C95 Si9 C89 C91 -87(2) . . . .
C95 Si9 C92 C93 -178.8(15) . . . .
C95 Si9 C92 C94 48(2) . . . .
C98 N11 Si9 C89 173.9(16) . . . .
C98 N11 Si9 C92 -62.2(18) . . . .
C98 N11 Si9 C95 56.2(19) . . . .
C98 C99 N12 U3 26(2) . . . .
C98 C99 N12 C77 -90(2) . . . .
C98 C99 N12 C88 139.2(19) . . . .
U4 N13 Si10 C100 -7(2) . . . .
U4 N13 Si10 C103 107.9(18) . . . .
U4 N13 Si10 C106 -125.9(16) . . . .
U4 N13 C109 C110 70(2) . . . .
U4 N14 Si11 C111 -22(2) . . . .
U4 N14 Si11 C114 -144.7(18) . . . .
U4 N14 Si11 C117 102.2(19) . . . .
U4 N14 C120 C121 66(2) . . . .
U4 N15 Si12 C122 -3.1(17) . . . .
U4 N15 Si12 C125 111.7(14) . . . .
U4 N15 Si12 C128 -130.1(14) . . . .
U4 N15 C131 C132 67(2) . . . .
N13 Si10 C100 C101 -41(2) . . . .
N13 Si10 C100 C102 111(2) . . . .
N13 Si10 C103 C104 34(2) . . . .
N13 Si10 C103 C105 164.8(18) . . . .
N13 C109 C110 N16 -65(2) . . . .
Si10 N13 C109 C110 -105(2) . . . .
C100 Si10 C103 C104 152.3(18) . . . .
C100 Si10 C103 C105 -77(2) . . . .
C103 Si10 C100 C101 -160.0(18) . . . .
C103 Si10 C100 C102 -8(3) . . . .
C106 Si10 C100 C101 87(2) . . . .
C106 Si10 C100 C102 -122(2) . . . .
C106 Si10 C103 C104 -98.0(19) . . . .
C106 Si10 C103 C105 33(2) . . . .
C109 N13 Si10 C100 165.7(19) . . . .
C109 N13 Si10 C103 -79(2) . . . .
C109 N13 Si10 C106 47(2) . . . .
C109 C110 N16 U4 28(2) . . . .
C109 C110 N16 C121 -84(2) . . . .
C109 C110 N16 C132 145(2) . . . .
N14 Si11 C111 C112 -44(3) . . . .
N14 Si11 C111 C113 179(2) . . . .
N14 Si11 C117 C118 -78(2) . . . .
N14 Si11 C117 C119 46(2) . . . .
N14 C120 C121 N16 -66(3) . . . .
Si11 N14 C120 C121 -116(2) . . . .
C111 Si11 C117 C118 44(3) . . . .
C111 Si11 C117 C119 168.8(18) . . . .
C114 Si11 C111 C112 76(3) . . . .
C114 Si11 C111 C113 -60(3) . . . .
C114 Si11 C117 C118 164(2) . . . .
C114 Si11 C117 C119 -71(2) . . . .
C117 Si11 C111 C112 -170(2) . . . .
C117 Si11 C111 C113 53(3) . . . .
C120 N14 Si11 C111 159.9(19) . . . .
C120 N14 Si11 C114 37(2) . . . .
C120 N14 Si11 C117 -76(2) . . . .
C120 C121 N16 U4 32(3) . . . .
C120 C121 N16 C110 146(2) . . . .
C120 C121 N16 C132 -85(3) . . . .
N15 C131 C132 N16 -60(3) . . . .
Si12 N15 C131 C132 -110(2) . . . .
C131 N15 Si12 C122 173.7(16) . . . .
C131 N15 Si12 C125 -71.4(19) . . . .
C131 N15 Si12 C128 46.7(19) . . . .
C131 C132 N16 U4 24(2) . . . .
C131 C132 N16 C110 -92(2) . . . .
C131 C132 N16 C121 139(2) . . . .
C133 C134 C135 C136 4(4) . . . .
C134 C133 C138 C137 -4(4) . . . .
C134 C135 C136 C137 -5(4) . . . .
C135 C136 C137 C138 2(4) . . . .
C136 C137 C138 C133 2(4) . . . .
C138 C133 C134 C135 1(4) . . . .
C143 C142 C141 C140 0.0 . . . .
C142 C143 C144 C139 0.0 . . . .
C142 C141 C140 C139 0.0 . . . .
C141 C140 C139 C144 0.0 . . . .
C140 C139 C144 C143 0.0 . . . .
C144 C143 C142 C141 0.0 . . . .
C156 C155 C154 C153 0.0 . . . .
C155 C156 C151 C152 0.0 . . . .
C155 C154 C153 C152 0.0 . . . .
C154 C153 C152 C151 0.0 . . . .
C153 C152 C151 C156 0.0 . . . .
C151 C156 C155 C154 0.0 . . . .
