#------------------------------------------------------------------------------
#$Date: 2016-05-06 03:40:20 +0300 (Fri, 06 May 2016) $
#$Revision: 182630 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/24/1542407.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_1542407
loop_
_publ_author_name
'Gregson, Matthew'
'Lu, Erli'
'Tuna, Floriana'
'McInnes, Eric J. L.'
'Hennig, Christoph'
'Scheinost, Andreas C.'
'McMaster, Jonathan'
'Lewis, William'
'Blake, Alexander J.'
'Kerridge, Andrew'
'Liddle, Stephen T.'
_publ_section_title
;
 Emergence of comparable covalency in isostructural cerium(iv)-- and
 uranium(iv)--carbon multiple bonds
;
_journal_issue                   5
_journal_name_full               'Chem. Sci.'
_journal_page_first              3286
_journal_paper_doi               10.1039/C6SC00278A
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         'C55 H72 N2 O2 P2 Si2 U, C4 H10 O'
_chemical_formula_sum            'C59 H82 N2 O3 P2 Si2 U'
_chemical_formula_weight         1223.41
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   'geom, Me from difmap'
_audit_block_doi                 10.5517/cc10j08t
_audit_creation_method           SHELXL-2012
_audit_update_record
;
2013-05-13 deposited with the CCDC.
2016-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4956(2)
_cell_length_b                   16.94471(14)
_cell_length_c                   18.98054(16)
_cell_measurement_reflns_used    32132
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      74.63
_cell_measurement_theta_min      3.33
_cell_volume                     5948.55(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXS-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 10.3613
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            49347
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         74.804
_diffrn_reflns_theta_min         3.336
_exptl_absorpt_coefficient_mu    8.897
_exptl_absorpt_correction_T_max  0.519
_exptl_absorpt_correction_T_min  0.169
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.447
_exptl_crystal_size_mid          0.193
_exptl_crystal_size_min          0.165
_refine_diff_density_max         1.364
_refine_diff_density_min         -1.202
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         6226
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0221
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0310P)²+6.7773P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0586
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6196
_reflns_number_total             6226
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6sc00278a2.cif
_cod_data_source_block           umgala
_cod_depositor_comments
'Adding full bibliography for 1542406--1542407.cif.'
_cod_original_cell_volume        5948.57(10)
_cod_database_code               1542407
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.109
_shelx_estimated_absorpt_t_max   0.321
_diffrn_reflns_sigmai/neti       0.0138
_shelxl_version_number           2012-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.705207(5) 0.7500 0.532672(5) 0.01800(5) Uani 1 2 d SD . .
P1 P 0.83601(3) 0.65805(3) 0.57915(3) 0.01749(11) Uani 1 1 d D . .
Si1 Si 0.73609(4) 0.53675(4) 0.50580(3) 0.02564(14) Uani 1 1 d D . .
O1 O 0.66932(13) 0.7500 0.42638(12) 0.0259(5) Uani 1 2 d SD . .
O2 O 0.61989(13) 0.7500 0.60914(13) 0.0257(5) Uani 1 2 d SD . .
N1 N 0.76706(11) 0.62894(12) 0.53143(9) 0.0207(4) Uani 1 1 d D . .
C1 C 0.81329(17) 0.7500 0.60400(16) 0.0184(6) Uani 1 2 d SD . .
C2 C 0.91972(13) 0.64869(14) 0.53080(12) 0.0215(5) Uani 1 1 d D . .
C3 C 0.98628(14) 0.65341(14) 0.56499(14) 0.0271(5) Uani 1 1 d D . .
H3 H 0.9879 0.6590 0.6148 0.032 Uiso 1 1 calc RD . .
C4 C 1.05001(15) 0.65003(17) 0.52695(16) 0.0338(6) Uani 1 1 d D . .
H4 H 1.0951 0.6536 0.5506 0.041 Uiso 1 1 calc RD . .
C5 C 1.04813(16) 0.64148(18) 0.45476(17) 0.0377(6) Uani 1 1 d D . .
H5 H 1.0920 0.6386 0.4289 0.045 Uiso 1 1 calc RD . .
C6 C 0.98258(16) 0.63712(19) 0.41989(15) 0.0403(7) Uani 1 1 d D . .
H6 H 0.9815 0.6315 0.3701 0.048 Uiso 1 1 calc RD . .
C7 C 0.91860(15) 0.64101(18) 0.45749(13) 0.0308(6) Uani 1 1 d D . .
H7 H 0.8737 0.6384 0.4334 0.037 Uiso 1 1 calc RD . .
C8 C 0.84596(13) 0.59066(14) 0.65282(12) 0.0235(5) Uani 1 1 d D . .
C9 C 0.89001(14) 0.52403(15) 0.64926(13) 0.0278(5) Uani 1 1 d D . .
H9 H 0.9199 0.5156 0.6092 0.033 Uiso 1 1 calc RD . .
C10 C 0.89029(17) 0.46989(16) 0.70428(15) 0.0366(6) Uani 1 1 d D . .
H10 H 0.9207 0.4248 0.7019 0.044 Uiso 1 1 calc RD . .
C11 C 0.84696(19) 0.48116(19) 0.76203(15) 0.0444(7) Uani 1 1 d D . .
H11 H 0.8469 0.4435 0.7991 0.053 Uiso 1 1 calc RD . .
C12 C 0.80327(19) 0.5473(2) 0.76634(16) 0.0467(8) Uani 1 1 d D . .
H12 H 0.7737 0.5553 0.8066 0.056 Uiso 1 1 calc RD . .
C13 C 0.80265(15) 0.60213(18) 0.71187(14) 0.0328(6) Uani 1 1 d D . .
H13 H 0.7726 0.6475 0.7150 0.039 Uiso 1 1 calc RD . .
C14 C 0.79913(16) 0.48614(19) 0.44379(17) 0.0391(7) Uani 1 1 d D . .
H14A H 0.8030 0.5169 0.4003 0.059 Uiso 1 1 calc RD . .
H14B H 0.7805 0.4334 0.4329 0.059 Uiso 1 1 calc RD . .
H14C H 0.8469 0.4815 0.4657 0.059 Uiso 1 1 calc RD . .
C15 C 0.71929(16) 0.46868(17) 0.58148(16) 0.0348(6) Uani 1 1 d D . .
H15A H 0.7653 0.4461 0.5973 0.052 Uiso 1 1 calc RD . .
H15B H 0.6868 0.4262 0.5665 0.052 Uiso 1 1 calc RD . .
H15C H 0.6970 0.4981 0.6203 0.052 Uiso 1 1 calc RD . .
C16 C 0.64815(17) 0.55601(19) 0.46041(16) 0.0378(7) Uani 1 1 d D . .
H16A H 0.6146 0.5812 0.4934 0.057 Uiso 1 1 calc RD . .
H16B H 0.6276 0.5060 0.4440 0.057 Uiso 1 1 calc RD . .
H16C H 0.6562 0.5909 0.4200 0.057 Uiso 1 1 calc RD . .
C17 C 0.6438(2) 0.7500 0.35901(19) 0.0285(8) Uani 1 2 d SD . .
C18 C 0.6927(2) 0.7500 0.3028(2) 0.0363(9) Uani 1 2 d SD . .
C19 C 0.7743(3) 0.7500 0.3145(2) 0.0474(11) Uani 1 2 d SD . .
H19 H 0.7830 0.7500 0.3665 0.057 Uiso 1 2 calc SRD . .
C20 C 0.8098(2) 0.8240(3) 0.2842(3) 0.0648(10) Uani 1 1 d D . .
H20A H 0.8033 0.8248 0.2329 0.097 Uiso 1 1 calc RD . .
H20B H 0.8615 0.8236 0.2953 0.097 Uiso 1 1 calc RD . .
H20C H 0.7872 0.8710 0.3048 0.097 Uiso 1 1 calc RD . .
C21 C 0.6643(3) 0.7500 0.2346(2) 0.0430(10) Uani 1 2 d SD . .
H21 H 0.6962 0.7500 0.1954 0.052 Uiso 1 2 calc SRD . .
C22 C 0.5900(3) 0.7500 0.2233(2) 0.0449(11) Uani 1 2 d SD . .
H22 H 0.5717 0.7500 0.1766 0.054 Uiso 1 2 calc SRD . .
C23 C 0.5432(3) 0.7500 0.2788(2) 0.0418(10) Uani 1 2 d SD . .
H23 H 0.4926 0.7500 0.2701 0.050 Uiso 1 2 calc SRD . .
C24 C 0.5685(2) 0.7500 0.3483(2) 0.0339(9) Uani 1 2 d SD . .
C25 C 0.5157(2) 0.7500 0.4092(3) 0.0456(11) Uani 1 2 d SD . .
H25 H 0.5444 0.7500 0.4539 0.055 Uiso 1 2 calc SRD . .
C26 C 0.4683(2) 0.6760(2) 0.4093(3) 0.0650(11) Uani 1 1 d D . .
H26A H 0.4387 0.6750 0.3664 0.098 Uiso 1 1 calc RD . .
H26B H 0.4367 0.6767 0.4507 0.098 Uiso 1 1 calc RD . .
H26C H 0.4991 0.6290 0.4107 0.098 Uiso 1 1 calc RD . .
C27 C 0.56454(18) 0.7500 0.65572(17) 0.0223(6) Uani 1 2 d SD . .
C28 C 0.53599(14) 0.67796(15) 0.67994(13) 0.0272(5) Uani 1 1 d D . .
C29 C 0.47628(16) 0.67963(17) 0.72437(14) 0.0360(6) Uani 1 1 d D . .
H29 H 0.4561 0.6313 0.7403 0.043 Uiso 1 1 calc RD . .
C30 C 0.4456(2) 0.7500 0.7459(2) 0.0404(10) Uani 1 2 d SD . .
H30 H 0.4039 0.7500 0.7751 0.048 Uiso 1 2 calc SRD . .
C31 C 0.56771(16) 0.59921(16) 0.65762(16) 0.0360(6) Uani 1 1 d D . .
H31 H 0.6137 0.6096 0.6315 0.043 Uiso 1 1 calc RD . .
C32 C 0.5853(2) 0.5472(2) 0.7213(2) 0.0586(10) Uani 1 1 d D . .
H32A H 0.6212 0.5737 0.7510 0.088 Uiso 1 1 calc RD . .
H32B H 0.6048 0.4966 0.7050 0.088 Uiso 1 1 calc RD . .
H32C H 0.5411 0.5379 0.7486 0.088 Uiso 1 1 calc RD . .
C33 C 0.5156(2) 0.5574(2) 0.6077(2) 0.0622(11) Uani 1 1 d D . .
H33A H 0.4707 0.5450 0.6327 0.093 Uiso 1 1 calc RD . .
H33B H 0.5377 0.5084 0.5906 0.093 Uiso 1 1 calc RD . .
H33C H 0.5048 0.5918 0.5676 0.093 Uiso 1 1 calc RD . .
O3 O 0.78098(16) 0.2500 0.42731(17) 0.0407(7) Uani 1 2 d SD . .
C34 C 0.7466(3) 0.2500 0.5465(3) 0.0454(10) Uani 1 2 d SD . .
H34A H 0.7637 0.3030 0.5588 0.068 Uiso 0.5 1 calc PRD A -1
H34B H 0.7865 0.2123 0.5509 0.068 Uiso 0.5 1 calc PRD A -1
H34C H 0.7073 0.2347 0.5784 0.068 Uiso 0.5 1 calc PRD A -1
C35 C 0.7197(3) 0.2500 0.4732(2) 0.0422(10) Uani 1 2 d SD . .
H35A H 0.6897 0.2026 0.4645 0.051 Uiso 0.5 1 calc PRD . .
H35B H 0.6897 0.2974 0.4645 0.051 Uiso 0.5 1 calc PRD . .
C36 C 0.7622(3) 0.2500 0.3562(2) 0.0460(10) Uani 1 2 d SD . .
H36A H 0.7328 0.2973 0.3454 0.055 Uiso 0.5 1 calc PRD . .
H36B H 0.7328 0.2027 0.3454 0.055 Uiso 0.5 1 calc PRD . .
C37 C 0.8284(3) 0.2500 0.3118(3) 0.0571(13) Uani 1 2 d SD . .
H37A H 0.8622 0.2900 0.3293 0.086 Uiso 0.5 1 calc PRD B -1
H37B H 0.8153 0.2621 0.2629 0.086 Uiso 0.5 1 calc PRD B -1
H37C H 0.8513 0.1979 0.3138 0.086 Uiso 0.5 1 calc PRD B -1
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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_
_citation_id
_citation_doi
_citation_year
1 10.1002/anie.201306984 2013
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
O1 U1 O2 114.40(10) . .
O1 U1 N1 98.21(5) . .
O2 U1 N1 111.42(5) . .
O1 U1 N1 98.21(5) . 8_575
O2 U1 N1 111.42(5) . 8_575
N1 U1 N1 121.69(10) . 8_575
O1 U1 C1 142.32(10) . .
O2 U1 C1 103.29(10) . .
N1 U1 C1 66.57(5) . .
N1 U1 C1 66.57(5) 8_575 .
N1 P1 C1 103.84(13) . .
N1 P1 C2 111.07(10) . .
C1 P1 C2 115.98(13) . .
N1 P1 C8 108.37(10) . .
C1 P1 C8 113.10(13) . .
C2 P1 C8 104.43(11) . .
N1 Si1 C14 112.63(13) . .
N1 Si1 C15 113.30(11) . .
C14 Si1 C15 107.77(15) . .
N1 Si1 C16 105.04(12) . .
C14 Si1 C16 109.47(14) . .
C15 Si1 C16 108.51(14) . .
C17 O1 U1 178.0(3) . .
C27 O2 U1 178.2(2) . .
P1 N1 Si1 133.07(13) . .
P1 N1 U1 96.35(9) . .
Si1 N1 U1 128.97(11) . .
P1 C1 P1 135.9(2) . 8_575
P1 C1 U1 92.85(11) . .
P1 C1 U1 92.85(11) 8_575 .
C3 C2 C7 118.8(2) . .
C3 C2 P1 121.02(18) . .
C7 C2 P1 120.07(19) . .
C4 C3 C2 120.5(2) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C5 C4 C3 120.1(3) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 120.2(3) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C7 C6 C5 120.0(3) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 120.4(3) . .
C6 C7 H7 119.8 . .
C2 C7 H7 119.8 . .
C13 C8 C9 119.3(2) . .
C13 C8 P1 118.3(2) . .
C9 C8 P1 122.11(18) . .
C10 C9 C8 120.0(3) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C11 C10 C9 120.4(3) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C10 C11 C12 120.1(3) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C11 C12 C13 120.1(3) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C12 C13 C8 120.1(3) . .
C12 C13 H13 120.0 . .
C8 C13 H13 120.0 . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si1 C15 H15A 109.5 . .
Si1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si1 C16 H16A 109.5 . .
Si1 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si1 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O1 C17 C18 119.5(3) . .
O1 C17 C24 118.5(4) . .
C18 C17 C24 122.0(3) . .
C21 C18 C17 117.6(4) . .
C21 C18 C19 120.5(4) . .
C17 C18 C19 121.9(3) . .
C18 C19 C20 111.7(3) . 8_575
C18 C19 C20 111.7(3) . .
C20 C19 C20 110.3(4) 8_575 .
C18 C19 H19 107.7 . .
C20 C19 H19 107.7 8_575 .
C20 C19 H19 107.7 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22 C21 C18 121.0(5) . .
C22 C21 H21 119.5 . .
C18 C21 H21 119.5 . .
C23 C22 C21 120.6(4) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C22 C23 C24 121.0(4) . .
C22 C23 H23 119.5 . .
C24 C23 H23 119.5 . .
C23 C24 C17 117.8(4) . .
C23 C24 C25 120.2(4) . .
C17 C24 C25 121.9(4) . .
C24 C25 C26 111.8(3) . .
C24 C25 C26 111.8(3) . 8_575
C26 C25 C26 110.0(4) . 8_575
C24 C25 H25 107.7 . .
C26 C25 H25 107.7 . .
C26 C25 H25 107.7 8_575 .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
O2 C27 C28 119.84(15) . 8_575
O2 C27 C28 119.84(15) . .
C28 C27 C28 120.3(3) 8_575 .
C29 C28 C27 118.6(2) . .
C29 C28 C31 119.6(2) . .
C27 C28 C31 121.8(2) . .
C30 C29 C28 121.6(3) . .
C30 C29 H29 119.2 . .
C28 C29 H29 119.2 . .
C29 C30 C29 119.2(4) . 8_575
C29 C30 H30 120.4 . .
C29 C30 H30 120.4 8_575 .
C28 C31 C33 109.7(3) . .
C28 C31 C32 111.6(3) . .
C33 C31 C32 110.9(3) . .
C28 C31 H31 108.2 . .
C33 C31 H31 108.2 . .
C32 C31 H31 108.2 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C36 O3 C35 113.1(4) . .
C35 C34 H34A 109.5 . .
C35 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C35 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O3 C35 C34 107.9(4) . .
O3 C35 H35A 110.1 . .
C34 C35 H35A 110.1 . .
O3 C35 H35B 110.1 . .
C34 C35 H35B 110.1 . .
H35A C35 H35B 108.4 . .
O3 C36 C37 110.1(4) . .
O3 C36 H36A 109.6 . .
C37 C36 H36A 109.6 . .
O3 C36 H36B 109.6 . .
C37 C36 H36B 109.6 . .
H36A C36 H36B 108.2 . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O1 2.124(2) .
U1 O2 2.144(2) .
U1 N1 2.349(2) .
U1 N1 2.349(2) 8_575
U1 C1 2.414(3) .
P1 N1 1.640(2) .
P1 C1 1.6813(13) .
P1 C2 1.807(2) .
P1 C8 1.815(2) .
Si1 N1 1.734(2) .
Si1 C14 1.866(3) .
Si1 C15 1.868(3) .
Si1 C16 1.869(3) .
O1 C17 1.363(4) .
O2 C27 1.353(4) .
C1 P1 1.6813(13) 8_575
C2 C3 1.394(3) .
C2 C7 1.398(3) .
C3 C4 1.383(4) .
C3 H3 0.9500 .
C4 C5 1.378(4) .
C4 H4 0.9500 .
C5 C6 1.383(4) .
C5 H5 0.9500 .
C6 C7 1.383(4) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C13 1.391(4) .
C8 C9 1.394(4) .
C9 C10 1.390(3) .
C9 H9 0.9500 .
C10 C11 1.371(5) .
C10 H10 0.9500 .
C11 C12 1.384(5) .
C11 H11 0.9500 .
C12 C13 1.390(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.399(6) .
C17 C24 1.407(6) .
C18 C21 1.397(5) .
C18 C19 1.524(6) .
C19 C20 1.528(5) 8_575
C19 C20 1.528(5) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C22 1.390(7) .
C21 H21 0.9500 .
C22 C23 1.363(7) .
C22 H22 0.9500 .
C23 C24 1.401(6) .
C23 H23 0.9500 .
C24 C25 1.513(7) .
C25 C26 1.530(4) .
C25 C26 1.530(4) 8_575
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.407(3) 8_575
C27 C28 1.407(3) .
C28 C29 1.390(4) .
C28 C31 1.518(4) .
C29 C30 1.382(3) .
C29 H29 0.9500 .
C30 C29 1.382(3) 8_575
C30 H30 0.9500 .
C31 C33 1.527(5) .
C31 C32 1.530(5) .
C31 H31 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
O3 C36 1.395(6) .
O3 C35 1.429(5) .
C34 C35 1.478(7) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.486(7) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
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_4
C1 P1 N1 Si1 -160.32(17) . .
C2 P1 N1 Si1 74.34(18) . .
C8 P1 N1 Si1 -39.82(19) . .
C1 P1 N1 U1 5.65(12) . .
C2 P1 N1 U1 -119.69(10) . .
C8 P1 N1 U1 126.15(10) . .
C14 Si1 N1 P1 -67.1(2) . .
C15 Si1 N1 P1 55.5(2) . .
C16 Si1 N1 P1 173.81(17) . .
C14 Si1 N1 U1 130.94(15) . .
C15 Si1 N1 U1 -106.41(14) . .
C16 Si1 N1 U1 11.86(17) . .
N1 P1 C1 P1 -102.5(3) . 8_575
C2 P1 C1 P1 19.6(3) . 8_575
C8 P1 C1 P1 140.2(2) . 8_575
N1 P1 C1 U1 -5.47(12) . .
C2 P1 C1 U1 116.67(11) . .
C8 P1 C1 U1 -122.72(10) . .
N1 P1 C2 C3 -165.96(19) . .
C1 P1 C2 C3 75.8(2) . .
C8 P1 C2 C3 -49.4(2) . .
N1 P1 C2 C7 17.7(3) . .
C1 P1 C2 C7 -100.5(2) . .
C8 P1 C2 C7 134.3(2) . .
C7 C2 C3 C4 -0.4(4) . .
P1 C2 C3 C4 -176.8(2) . .
C2 C3 C4 C5 -0.4(4) . .
C3 C4 C5 C6 0.7(4) . .
C4 C5 C6 C7 -0.3(5) . .
C5 C6 C7 C2 -0.5(5) . .
C3 C2 C7 C6 0.9(4) . .
P1 C2 C7 C6 177.3(2) . .
N1 P1 C8 C13 -82.4(2) . .
C1 P1 C8 C13 32.2(2) . .
C2 P1 C8 C13 159.1(2) . .
N1 P1 C8 C9 91.2(2) . .
C1 P1 C8 C9 -154.3(2) . .
C2 P1 C8 C9 -27.3(2) . .
C13 C8 C9 C10 0.1(4) . .
P1 C8 C9 C10 -173.5(2) . .
C8 C9 C10 C11 0.6(4) . .
C9 C10 C11 C12 -0.9(5) . .
C10 C11 C12 C13 0.6(5) . .
C11 C12 C13 C8 0.0(5) . .
C9 C8 C13 C12 -0.3(4) . .
P1 C8 C13 C12 173.4(2) . .
O1 C17 C18 C21 180.000(0) . .
C24 C17 C18 C21 0.000(0) . .
O1 C17 C18 C19 0.000(1) . .
C24 C17 C18 C19 180.000(0) . .
C21 C18 C19 C20 -62.0(3) . 8_575
C17 C18 C19 C20 118.0(3) . 8_575
C21 C18 C19 C20 62.0(3) . .
C17 C18 C19 C20 -118.0(3) . .
C17 C18 C21 C22 0.000(0) . .
C19 C18 C21 C22 180.000(0) . .
C18 C21 C22 C23 0.000(0) . .
C21 C22 C23 C24 0.000(1) . .
C22 C23 C24 C17 0.000(0) . .
C22 C23 C24 C25 180.000(0) . .
O1 C17 C24 C23 180.000(0) . .
C18 C17 C24 C23 0.000(0) . .
O1 C17 C24 C25 0.000(1) . .
C18 C17 C24 C25 180.000(0) . .
C23 C24 C25 C26 61.9(3) . .
C17 C24 C25 C26 -118.1(3) . .
C23 C24 C25 C26 -61.9(3) . 8_575
C17 C24 C25 C26 118.1(3) . 8_575
O2 C27 C28 C29 -176.1(3) . .
C28 C27 C28 C29 4.2(5) 8_575 .
O2 C27 C28 C31 2.6(4) . .
C28 C27 C28 C31 -177.1(2) 8_575 .
C27 C28 C29 C30 -1.1(5) . .
C31 C28 C29 C30 -179.9(3) . .
C28 C29 C30 C29 -1.9(6) . 8_575
C29 C28 C31 C33 69.8(3) . .
C27 C28 C31 C33 -108.9(3) . .
C29 C28 C31 C32 -53.5(4) . .
C27 C28 C31 C32 127.8(3) . .
C36 O3 C35 C34 180.000(1) . .
C35 O3 C36 C37 180.000(0) . .
