#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:37:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179509 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/06/4340680.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_4340680
loop_
_publ_author_name
'Mullane, Kimberly C.'
'Lewis, Andrew J.'
'Yin, Haolin'
'Carroll, Patrick J.'
'Schelter, Eric J.'
_publ_section_title
;
 Anomalous one-electron processes in the chemistry of uranium nitrogen
 multiple bonds.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9129
_journal_page_last               9139
_journal_paper_doi               10.1021/ic501149u
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C105 H194 K2 N8 O6 Si12 U2'
_chemical_formula_weight         2556.02
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.649(2)
_cell_angle_beta                 100.783(2)
_cell_angle_gamma                104.004(2)
_cell_formula_units_Z            1
_cell_length_a                   12.1664(5)
_cell_length_b                   14.2391(6)
_cell_length_c                   20.5772(9)
_cell_measurement_temperature    100(1)
_cell_volume                     3185.3(2)
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0119
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            105207
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    2.766
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2007)'
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1318
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.033
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         14598
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.179
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0156
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0269P)²+1.4368P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0431
_refine_ls_wR_factor_ref         0.0479
_reflns_number_gt                14067
_reflns_number_total             14598
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501149u_si_002.cif
_cod_data_source_block           4-K
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

 Adding full bibliography for 4340671--4340680.cif.
;
_cod_original_cell_volume        3185.2(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               4340680
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.348312(5) 1.129750(4) 0.290705(3) 0.01289(2) Uani 1 1 d . . .
K1 K -0.02726(4) 0.73634(3) 0.23965(2) 0.02813(9) Uani 1 1 d . . .
Si1 Si 0.63397(4) 1.11147(4) 0.32525(3) 0.01836(9) Uani 1 1 d . . .
Si2 Si 0.62000(4) 1.28180(4) 0.27182(3) 0.02036(10) Uani 1 1 d . . .
Si3 Si 0.21508(5) 1.20368(4) 0.15593(3) 0.02258(10) Uani 1 1 d . . .
Si4 Si 0.13739(5) 1.27194(5) 0.28526(3) 0.03027(12) Uani 1 1 d . . .
Si5 Si 0.41256(4) 1.26064(4) 0.47228(2) 0.01774(9) Uani 1 1 d . . .
Si6 Si 0.24437(4) 1.05053(4) 0.42993(2) 0.01782(9) Uani 1 1 d . . .
O1 O -0.23446(17) 0.72027(15) 0.26403(14) 0.0627(6) Uani 1 1 d . . .
O2 O -0.11970(14) 0.54082(12) 0.16091(8) 0.0372(4) Uani 1 1 d . . .
O3 O 0.01807(15) 0.68104(13) 0.35336(8) 0.0357(3) Uani 1 1 d . . .
N1 N 0.55255(12) 1.18160(11) 0.29594(7) 0.0163(3) Uani 1 1 d . . .
N2 N 0.22139(13) 1.21003(12) 0.24156(8) 0.0203(3) Uani 1 1 d . . .
N3 N 0.32744(13) 1.14562(11) 0.40661(7) 0.0161(3) Uani 1 1 d . . .
N4 N 0.27038(12) 0.98369(11) 0.22659(7) 0.0164(3) Uani 1 1 d . . .
C1 C 0.53533(16) 1.00278(15) 0.34159(10) 0.0234(4) Uani 1 1 d . . .
H1a H 0.4991 1.0301 0.3771 0.035 Uiso 1 1 calc R . .
H1b H 0.5809 0.9631 0.3573 0.035 Uiso 1 1 calc R . .
H1c H 0.4754 0.9593 0.2987 0.035 Uiso 1 1 calc R . .
C2 C 0.74960(18) 1.18494(17) 0.41215(11) 0.0303(4) Uani 1 1 d . . .
H2a H 0.8089 1.2382 0.4068 0.045 Uiso 1 1 calc R . .
H2b H 0.7851 1.1386 0.4271 0.045 Uiso 1 1 calc R . .
H2c H 0.7137 1.2155 0.4469 0.045 Uiso 1 1 calc R . .
C3 C 0.71506(18) 1.05724(17) 0.26211(12) 0.0302(4) Uani 1 1 d . . .
H3a H 0.6597 1.0137 0.2175 0.045 Uiso 1 1 calc R . .
H3b H 0.7572 1.0175 0.2808 0.045 Uiso 1 1 calc R . .
H3c H 0.7697 1.1128 0.2558 0.045 Uiso 1 1 calc R . .
C4 C 0.76773(18) 1.36749(17) 0.33391(12) 0.0354(5) Uani 1 1 d . . .
H4a H 0.7600 1.3925 0.3808 0.053 Uiso 1 1 calc R . .
H4b H 0.7962 1.4249 0.3193 0.053 Uiso 1 1 calc R . .
H4c H 0.8224 1.3288 0.3333 0.053 Uiso 1 1 calc R . .
C5 C 0.64943(19) 1.23574(19) 0.18321(11) 0.0324(4) Uani 1 1 d . . .
H5a H 0.7235 1.2220 0.1893 0.049 Uiso 1 1 calc R . .
H5b H 0.6523 1.2880 0.1622 0.049 Uiso 1 1 calc R . .
H5c H 0.5875 1.1737 0.1531 0.049 Uiso 1 1 calc R . .
C6 C 0.53064(18) 1.37311(15) 0.27086(11) 0.0265(4) Uani 1 1 d . . .
H6a H 0.4490 1.3365 0.2623 0.040 Uiso 1 1 calc R . .
H6b H 0.5401 1.4010 0.2342 0.040 Uiso 1 1 calc R . .
H6c H 0.5574 1.4283 0.3156 0.040 Uiso 1 1 calc R . .
C7 C 0.33577(18) 1.15673(15) 0.12734(10) 0.0257(4) Uani 1 1 d . . .
H7a H 0.4084 1.2128 0.1456 0.039 Uiso 1 1 calc R . .
H7b H 0.3161 1.1306 0.0767 0.039 Uiso 1 1 calc R . .
H7c H 0.3446 1.1027 0.1450 0.039 Uiso 1 1 calc R . .
C8 C 0.2374(2) 1.33352(17) 0.14455(12) 0.0315(4) Uani 1 1 d . . .
H8a H 0.1745 1.3595 0.1553 0.047 Uiso 1 1 calc R . .
H8b H 0.2375 1.3261 0.0967 0.047 Uiso 1 1 calc R . .
H8c H 0.3113 1.3810 0.1759 0.047 Uiso 1 1 calc R . .
C9 C 0.0746(2) 1.1157(2) 0.08804(12) 0.0383(5) Uani 1 1 d . . .
H9a H 0.0626 1.0465 0.0881 0.058 Uiso 1 1 calc R . .
H9b H 0.0793 1.1172 0.0423 0.058 Uiso 1 1 calc R . .
H9c H 0.0098 1.1382 0.0990 0.058 Uiso 1 1 calc R . .
C10 C 0.2260(3) 1.4099(2) 0.34058(16) 0.0512(7) Uani 1 1 d . . .
H10a H 0.2952 1.4113 0.3727 0.077 Uiso 1 1 calc R . .
H10b H 0.1791 1.4416 0.3668 0.077 Uiso 1 1 calc R . .
H10c H 0.2488 1.4469 0.3104 0.077 Uiso 1 1 calc R . .
C11 C 0.0010(3) 1.2739(3) 0.22574(16) 0.0602(9) Uani 1 1 d . . .
H11a H 0.0225 1.3050 0.1924 0.090 Uiso 1 1 calc R . .
H11b H -0.0387 1.3131 0.2535 0.090 Uiso 1 1 calc R . .
H11c H -0.0506 1.2045 0.2009 0.090 Uiso 1 1 calc R . .
C12 C 0.07573(19) 1.2087(2) 0.34432(12) 0.0356(5) Uani 1 1 d . . .
H12a H 0.0241 1.1402 0.3166 0.053 Uiso 1 1 calc R . .
H12b H 0.0324 1.2483 0.3684 0.053 Uiso 1 1 calc R . .
H12c H 0.1390 1.2052 0.3783 0.053 Uiso 1 1 calc R . .
C13 C 0.50564(19) 1.34623(15) 0.43550(11) 0.0284(4) Uani 1 1 d . . .
H13a H 0.5603 1.3143 0.4179 0.043 Uiso 1 1 calc R . .
H13b H 0.5483 1.4117 0.4720 0.043 Uiso 1 1 calc R . .
H13c H 0.4559 1.3565 0.3978 0.043 Uiso 1 1 calc R . .
C14 C 0.32816(19) 1.34157(15) 0.51667(10) 0.0270(4) Uani 1 1 d . . .
H14a H 0.2762 1.3554 0.4819 0.040 Uiso 1 1 calc R . .
H14b H 0.3823 1.4056 0.5503 0.040 Uiso 1 1 calc R . .
H14c H 0.2828 1.3051 0.5405 0.040 Uiso 1 1 calc R . .
C15 C 0.51849(18) 1.24492(16) 0.54440(10) 0.0282(4) Uani 1 1 d . . .
H15a H 0.4752 1.2071 0.5683 0.042 Uiso 1 1 calc R . .
H15b H 0.5669 1.3117 0.5774 0.042 Uiso 1 1 calc R . .
H15c H 0.5675 1.2080 0.5243 0.042 Uiso 1 1 calc R . .
C16 C 0.1884(2) 1.09840(17) 0.50843(11) 0.0322(5) Uani 1 1 d . . .
H16a H 0.2539 1.1391 0.5491 0.048 Uiso 1 1 calc R . .
H16b H 0.1424 1.0406 0.5171 0.048 Uiso 1 1 calc R . .
H16c H 0.1402 1.1400 0.4991 0.048 Uiso 1 1 calc R . .
C17 C 0.32727(18) 0.96423(15) 0.45354(10) 0.0248(4) Uani 1 1 d . . .
H17a H 0.3562 0.9342 0.4149 0.037 Uiso 1 1 calc R . .
H17b H 0.2756 0.9104 0.4631 0.037 Uiso 1 1 calc R . .
H17c H 0.3924 1.0039 0.4947 0.037 Uiso 1 1 calc R . .
C18 C 0.10561(16) 0.96628(15) 0.35853(10) 0.0242(4) Uani 1 1 d . . .
H18a H 0.0469 1.0008 0.3597 0.036 Uiso 1 1 calc R . .
H18b H 0.0772 0.9023 0.3660 0.036 Uiso 1 1 calc R . .
H18c H 0.1218 0.9527 0.3134 0.036 Uiso 1 1 calc R . .
C19 C 0.21774(15) 0.88451(13) 0.17016(9) 0.0177(3) Uani 1 1 d . . .
C20 C 0.27374(17) 0.88690(14) 0.10890(9) 0.0221(4) Uani 1 1 d . . .
C21 C 0.39419(18) 0.90050(16) 0.12235(10) 0.0287(4) Uani 1 1 d . . .
H21 H 0.4366 0.9063 0.1667 0.038 Uiso 1 1 calc R . .
C22 C 0.4517(2) 0.90555(19) 0.07097(12) 0.0387(5) Uani 1 1 d . . .
H22 H 0.5322 0.9147 0.0809 0.051 Uiso 1 1 calc R . .
C23 C 0.3897(2) 0.8970(2) 0.00458(11) 0.0446(6) Uani 1 1 d . . .
H23 H 0.4281 0.8996 -0.0302 0.059 Uiso 1 1 calc R . .
C24 C 0.2715(2) 0.88475(19) -0.00927(11) 0.0411(6) Uani 1 1 d . . .
H24 H 0.2300 0.8797 -0.0536 0.055 Uiso 1 1 calc R . .
C25 C 0.2125(2) 0.87967(16) 0.04261(10) 0.0299(4) Uani 1 1 d . . .
H25 H 0.1322 0.8715 0.0326 0.040 Uiso 1 1 calc R . .
C26 C 0.23981(15) 0.79557(13) 0.19458(9) 0.0184(3) Uani 1 1 d . . .
C27 C 0.25544(15) 0.80495(14) 0.26521(9) 0.0182(3) Uani 1 1 d . . .
H27 H 0.2561 0.8661 0.2976 0.024 Uiso 1 1 calc R . .
C28 C 0.27008(16) 0.72472(15) 0.28837(10) 0.0229(4) Uani 1 1 d . . .
H28 H 0.2801 0.7326 0.3358 0.031 Uiso 1 1 calc R . .
C29 C 0.26975(18) 0.63341(16) 0.24097(12) 0.0299(4) Uani 1 1 d . . .
H29 H 0.2791 0.5796 0.2562 0.040 Uiso 1 1 calc R . .
C30 C 0.2553(2) 0.62297(16) 0.17059(12) 0.0348(5) Uani 1 1 d . . .
H30 H 0.2550 0.5617 0.1384 0.046 Uiso 1 1 calc R . .
C31 C 0.24127(19) 0.70309(15) 0.14767(11) 0.0291(4) Uani 1 1 d . . .
H31 H 0.2327 0.6952 0.1004 0.039 Uiso 1 1 calc R . .
C32 C 0.08125(16) 0.85810(14) 0.14488(9) 0.0214(3) Uani 1 1 d . . .
C33 C 0.02649(17) 0.92947(16) 0.17199(10) 0.0252(4) Uani 1 1 d . . .
H33 H 0.0723 0.9944 0.2040 0.034 Uiso 1 1 calc R . .
C34 C -0.09613(19) 0.90565(19) 0.15212(13) 0.0360(5) Uani 1 1 d . . .
H34 H -0.1310 0.9542 0.1715 0.048 Uiso 1 1 calc R . .
C35 C -0.16575(19) 0.8098(2) 0.10355(13) 0.0411(6) Uani 1 1 d . . .
H35 H -0.2473 0.7936 0.0904 0.055 Uiso 1 1 calc R . .
C36 C -0.1127(2) 0.73830(18) 0.07473(12) 0.0372(5) Uani 1 1 d . . .
H36 H -0.1588 0.6743 0.0415 0.049 Uiso 1 1 calc R . .
C37 C 0.00909(18) 0.76178(16) 0.09520(10) 0.0291(4) Uani 1 1 d . . .
H37 H 0.0435 0.7129 0.0757 0.039 Uiso 1 1 calc R . .
C38 C -0.2964(3) 0.7940(2) 0.2667(2) 0.0627(9) Uani 1 1 d . . .
H38a H -0.2880 0.8231 0.2300 0.083 Uiso 1 1 calc R . .
H38b H -0.2655 0.8496 0.3120 0.083 Uiso 1 1 calc R . .
C39 C -0.4214(3) 0.7386(2) 0.2559(2) 0.0601(8) Uani 1 1 d . . .
H39a H -0.4658 0.7192 0.2072 0.080 Uiso 1 1 calc R . .
H39b H -0.4561 0.7815 0.2860 0.080 Uiso 1 1 calc R . .
C40 C -0.4212(2) 0.6459(2) 0.27469(19) 0.0546(7) Uani 1 1 d . . .
H40a H -0.4312 0.6560 0.3216 0.073 Uiso 1 1 calc R . .
H40b H -0.4846 0.5861 0.2413 0.073 Uiso 1 1 calc R . .
C41 C -0.3058(2) 0.6317(2) 0.27209(18) 0.0486(7) Uani 1 1 d . . .
H41a H -0.2688 0.6235 0.3153 0.065 Uiso 1 1 calc R . .
H41b H -0.3158 0.5704 0.2327 0.065 Uiso 1 1 calc R . .
C42 C -0.2289(2) 0.48943(18) 0.10692(12) 0.0383(5) Uani 1 1 d . . .
H42a H -0.2621 0.5391 0.0940 0.051 Uiso 1 1 calc R . .
H42b H -0.2853 0.4468 0.1228 0.051 Uiso 1 1 calc R . .
C43 C -0.1984(3) 0.4231(2) 0.04462(14) 0.0523(7) Uani 1 1 d . . .
H43a H -0.1952 0.4548 0.0088 0.070 Uiso 1 1 calc R . .
H43b H -0.2560 0.3547 0.0236 0.070 Uiso 1 1 calc R . .
C44 C -0.0773(3) 0.4177(3) 0.07675(16) 0.0644(9) Uani 1 1 d . . .
H44a H -0.0771 0.3467 0.0650 0.086 Uiso 1 1 calc R . .
H44b H -0.0169 0.4555 0.0607 0.086 Uiso 1 1 calc R . .
C45 C -0.0592(3) 0.4672(2) 0.15425(16) 0.0584(8) Uani 1 1 d . . .
H45a H -0.0909 0.4162 0.1742 0.078 Uiso 1 1 calc R . .
H45b H 0.0241 0.5003 0.1783 0.078 Uiso 1 1 calc R . .
C46 C 0.0462(3) 0.59001(19) 0.35508(16) 0.0476(7) Uani 1 1 d . . .
H46a H 0.1236 0.5942 0.3481 0.063 Uiso 1 1 calc R . .
H46b H -0.0111 0.5297 0.3180 0.063 Uiso 1 1 calc R . .
C47 C 0.04404(19) 0.58227(17) 0.42714(12) 0.0341(5) Uani 1 1 d . . .
H47a H 0.1221 0.6126 0.4600 0.045 Uiso 1 1 calc R . .
H47b H 0.0126 0.5111 0.4238 0.045 Uiso 1 1 calc R . .
C48 C -0.0377(2) 0.64409(17) 0.44901(11) 0.0324(4) Uani 1 1 d . . .
H48a H -0.1197 0.6019 0.4295 0.043 Uiso 1 1 calc R . .
H48b H -0.0203 0.6731 0.5000 0.043 Uiso 1 1 calc R . .
C49 C -0.0092(2) 0.72757(17) 0.41751(11) 0.0320(4) Uani 1 1 d . . .
H49a H -0.0762 0.7520 0.4077 0.043 Uiso 1 1 calc R . .
H49b H 0.0576 0.7855 0.4497 0.043 Uiso 1 1 calc R . .
C50 C 0.5424(3) 0.5010(5) 0.9423(2) 0.0974(18) Uani 1 1 d . . .
H50 H 0.5702 0.5036 0.9035 0.130 Uiso 1 1 calc R . .
C51 C 0.5215(3) 0.5836(4) 0.9838(2) 0.0890(13) Uani 1 1 d DU . .
H51 H 0.5371 0.6438 0.9731 0.118 Uiso 0.50 1 calc PR A 1
C52 C 0.4783(3) 0.5835(5) 1.04128(19) 0.0981(17) Uani 1 1 d U . .
H52 H 0.4640 0.6418 1.0679 0.130 Uiso 1 1 calc R . .
C53 C 0.5378(5) 0.6680(5) 0.9648(4) 0.0626(16) Uani 0.50 1 d PDU B 2
H53a H 0.5687 0.6569 0.9246 0.094 Uiso 0.50 1 calc PR B 2
H53b H 0.5924 0.7266 1.0033 0.094 Uiso 0.50 1 calc PR B 2
H53c H 0.4638 0.6806 0.9531 0.094 Uiso 0.50 1 calc PR B 2
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
N4 U1 N2 100.04(6) .
N4 U1 N1 110.15(5) .
N2 U1 N1 119.97(5) .
N4 U1 N3 109.37(5) .
N2 U1 N3 107.16(5) .
N1 U1 N3 109.53(5) .
O2 K1 O1 85.55(6) .
O2 K1 O3 89.19(5) .
O1 K1 O3 83.22(6) .
N1 Si1 C1 109.62(8) .
N1 Si1 C3 113.39(9) .
C1 Si1 C3 108.85(9) .
N1 Si1 C2 114.85(9) .
C1 Si1 C2 104.30(9) .
C3 Si1 C2 105.29(10) .
N1 Si2 C4 114.54(9) .
N1 Si2 C5 112.43(9) .
C4 Si2 C5 104.73(10) .
N1 Si2 C6 111.45(8) .
C4 Si2 C6 103.68(10) .
C5 Si2 C6 109.45(10) .
N2 Si3 C9 115.53(9) .
N2 Si3 C7 110.38(8) .
C9 Si3 C7 105.93(11) .
N2 Si3 C8 113.07(9) .
C9 Si3 C8 105.63(10) .
C7 Si3 C8 105.57(9) .
N2 Si4 C12 113.62(9) .
N2 Si4 C11 114.24(11) .
C12 Si4 C11 102.23(11) .
N2 Si4 C10 110.83(10) .
C12 Si4 C10 107.81(12) .
C11 Si4 C10 107.52(15) .
N3 Si5 C13 110.56(8) .
N3 Si5 C15 113.61(8) .
C13 Si5 C15 105.70(10) .
N3 Si5 C14 115.29(9) .
C13 Si5 C14 104.28(9) .
C15 Si5 C14 106.57(9) .
N3 Si6 C17 113.02(8) .
N3 Si6 C18 112.64(8) .
C17 Si6 C18 107.69(9) .
N3 Si6 C16 115.22(8) .
C17 Si6 C16 104.39(10) .
C18 Si6 C16 102.99(10) .
C41 O1 C38 109.2(2) .
C41 O1 K1 124.14(14) .
C38 O1 K1 126.51(15) .
C45 O2 C42 104.62(18) .
C45 O2 K1 125.06(15) .
C42 O2 K1 129.33(14) .
C46 O3 C49 109.50(17) .
C46 O3 K1 126.12(14) .
C49 O3 K1 122.99(13) .
Si1 N1 Si2 119.37(8) .
Si1 N1 U1 116.32(7) .
Si2 N1 U1 124.31(8) .
Si4 N2 Si3 119.23(9) .
Si4 N2 U1 124.53(8) .
Si3 N2 U1 116.24(8) .
Si5 N3 Si6 118.41(8) .
Si5 N3 U1 115.36(7) .
Si6 N3 U1 126.06(7) .
C19 N4 U1 169.82(12) .
N4 C19 C20 108.65(14) .
N4 C19 C26 111.65(14) .
C20 C19 C26 108.23(14) .
N4 C19 C32 111.13(14) .
C20 C19 C32 111.13(14) .
C26 C19 C32 106.02(14) .
C25 C20 C21 118.45(18) .
C25 C20 C19 124.16(18) .
C21 C20 C19 117.36(16) .
C22 C21 C20 121.1(2) .
C21 C22 C23 120.1(2) .
C24 C23 C22 119.5(2) .
C23 C24 C25 120.8(2) .
C20 C25 C24 120.0(2) .
C27 C26 C31 117.55(17) .
C27 C26 C19 119.97(15) .
C31 C26 C19 122.46(16) .
C26 C27 C28 121.46(17) .
C29 C28 C27 120.08(18) .
C28 C29 C30 119.29(18) .
C29 C30 C31 120.56(19) .
C30 C31 C26 121.05(19) .
C33 C32 C37 117.56(18) .
C33 C32 C19 120.57(16) .
C37 C32 C19 121.86(18) .
C32 C33 C34 121.38(19) .
C35 C34 C33 120.1(2) .
C34 C35 C36 119.4(2) .
C35 C36 C37 120.3(2) .
C36 C37 C32 121.2(2) .
O1 C38 C39 106.9(2) .
C38 C39 C40 105.5(2) .
C41 C40 C39 105.9(2) .
O1 C41 C40 108.1(2) .
O2 C42 C43 105.2(2) .
C42 C43 C44 104.3(2) .
C45 C44 C43 103.0(2) .
O2 C45 C44 105.7(2) .
O3 C46 C47 107.26(18) .
C46 C47 C48 102.26(19) .
C49 C48 C47 102.11(17) .
O3 C49 C48 105.94(17) .
C52 C50 C51 117.6(5) 2_667
C53 C51 C50 117.2(5) .
C53 C51 C52 119.0(6) .
C50 C51 C52 123.7(5) .
C50 C52 C51 118.7(5) 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N4 1.9926(14) .
U1 N2 2.3763(15) .
U1 N1 2.3870(14) .
U1 N3 2.3978(14) .
K1 O2 2.6189(16) .
K1 O1 2.6303(18) .
K1 O3 2.6800(17) .
Si1 N1 1.7153(15) .
Si1 C1 1.8705(19) .
Si1 C3 1.879(2) .
Si1 C2 1.883(2) .
Si2 N1 1.7166(15) .
Si2 C4 1.881(2) .
Si2 C5 1.886(2) .
Si2 C6 1.888(2) .
Si3 N2 1.7243(16) .
Si3 C9 1.874(2) .
Si3 C7 1.877(2) .
Si3 C8 1.891(2) .
Si4 N2 1.7192(16) .
Si4 C12 1.868(2) .
Si4 C11 1.881(3) .
Si4 C10 1.884(3) .
Si5 N3 1.7228(15) .
Si5 C13 1.877(2) .
Si5 C15 1.878(2) .
Si5 C14 1.8808(19) .
Si6 N3 1.7253(15) .
Si6 C17 1.877(2) .
Si6 C18 1.8787(19) .
Si6 C16 1.883(2) .
O1 C41 1.419(3) .
O1 C38 1.428(3) .
O2 C45 1.411(3) .
O2 C42 1.430(3) .
O3 C46 1.426(3) .
O3 C49 1.436(2) .
N4 C19 1.448(2) .
C19 C20 1.546(2) .
C19 C26 1.552(2) .
C19 C32 1.559(2) .
C20 C25 1.389(3) .
C20 C21 1.393(3) .
C21 C22 1.382(3) .
C22 C23 1.387(3) .
C23 C24 1.370(4) .
C24 C25 1.403(3) .
C26 C27 1.393(2) .
C26 C31 1.398(3) .
C27 C28 1.394(2) .
C28 C29 1.382(3) .
C29 C30 1.385(3) .
C30 C31 1.388(3) .
C32 C33 1.389(3) .
C32 C37 1.405(3) .
C33 C34 1.398(3) .
C34 C35 1.386(3) .
C35 C36 1.385(4) .
C36 C37 1.390(3) .
C38 C39 1.475(4) .
C39 C40 1.478(4) .
C40 C41 1.475(4) .
C42 C43 1.526(3) .
C43 C44 1.527(4) .
C44 C45 1.496(4) .
C46 C47 1.523(4) .
C47 C48 1.526(3) .
C48 C49 1.510(3) .
C50 C52 1.321(7) 2_667
C50 C51 1.352(6) .
C51 C53 1.349(7) .
C51 C52 1.381(6) .
C52 C50 1.321(7) 2_667
