#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:16:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179835 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/31/7013115.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_7013115
loop_
_publ_author_name
'Sarsfield, Mark J.'
'Steele, Helen'
'Helliwell, Madeleine'
'Teat, Simon J.'
_publ_section_title
;
 Uranyl bis-iminophosphorane complexes with in- and out-of-plane
 equatorial coordinationElectronic supplementary information (ESI)
 available: Variable temperature 1H NMR spectra; Raman spectra; solid
 state diffuse reflectance electronic absorption spectra; luminescence
 spectra; interatomic distances of the optimised structures of 1* and
 2* from molecular modelling calculations. See
 http://www.rsc.org/suppdata/dt/b3/b304602h/
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3443
_journal_paper_doi               10.1039/b304602h
_journal_year                    2003
_chemical_formula_sum            'C39 H55 Cl N2 O4 P2 Si2 U'
_chemical_formula_weight         1007.45
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.577(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.410(3)
_cell_length_b                   24.902(4)
_cell_length_c                   16.987(3)
_cell_measurement_reflns_used    5046
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.20
_cell_volume                     8458(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38900
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    4.074
_exptl_absorpt_correction_T_max  0.443
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular block'
_exptl_crystal_F_000             4016
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.004
_refine_diff_density_min         -2.016
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     936
_refine_ls_number_reflns         16867
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0567P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                13415
_reflns_number_total             16867
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304602h.txt
_cod_data_source_block           s1286babs
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7013115
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.123531(7) 0.410604(7) 0.130661(9) 0.01089(6) Uani 1 1 d . . .
O1 O 0.18446(13) 0.36130(12) 0.12244(18) 0.0146(7) Uani 1 1 d . . .
O2 O 0.05951(14) 0.45942(13) 0.13001(18) 0.0158(7) Uani 1 1 d . . .
O5 O 0.30674(13) 0.87323(13) 0.36956(17) 0.0150(7) Uani 1 1 d . . .
N1 N 0.15939(17) 0.43201(15) 0.2774(2) 0.0121(8) Uani 1 1 d . . .
N2 N 0.02696(16) 0.34651(15) 0.0873(2) 0.0123(8) Uani 1 1 d . . .
C1 C 0.0949(2) 0.33930(18) 0.2393(2) 0.0106(9) Uani 1 1 d . . .
H1 H 0.124(3) 0.317(3) 0.237(4) 0.05(2) Uiso 1 1 d . . .
Cl1 Cl 0.21360(5) 0.48636(5) 0.11594(7) 0.0205(2) Uani 1 1 d . . .
P1 P 0.12245(5) 0.38494(5) 0.31523(7) 0.0110(2) Uani 1 1 d . . .
P2 P 0.02185(5) 0.32239(5) 0.17320(7) 0.0117(2) Uani 1 1 d . . .
Si1 Si 0.18460(6) 0.49353(5) 0.32241(7) 0.0141(3) Uani 1 1 d . . .
Si2 Si -0.02292(6) 0.33131(5) -0.00491(7) 0.0154(3) Uani 1 1 d . . .
C2 C 0.1782(2) 0.34716(18) 0.3918(3) 0.0136(9) Uani 1 1 d . . .
C3 C 0.2432(2) 0.36410(19) 0.4233(3) 0.0176(10) Uani 1 1 d . . .
H3 H 0.2585 0.3973 0.4064 0.021 Uiso 1 1 calc R . .
C4 C 0.2856(2) 0.3331(2) 0.4789(3) 0.0241(11) Uani 1 1 d . . .
H4 H 0.3301 0.3447 0.4992 0.029 Uiso 1 1 calc R . .
C5 C 0.2633(2) 0.2853(2) 0.5047(3) 0.0243(11) Uani 1 1 d . . .
H5 H 0.2926 0.2641 0.5430 0.029 Uiso 1 1 calc R . .
C6 C 0.1990(2) 0.2677(2) 0.4757(3) 0.0242(11) Uani 1 1 d . . .
H6 H 0.1836 0.2352 0.4949 0.029 Uiso 1 1 calc R . .
C7 C 0.1569(2) 0.29782(18) 0.4186(3) 0.0175(10) Uani 1 1 d . . .
H7 H 0.1131 0.2851 0.3971 0.021 Uiso 1 1 calc R . .
C8 C 0.0553(2) 0.41070(18) 0.3604(3) 0.0132(9) Uani 1 1 d . . .
C9 C 0.0456(2) 0.3951(2) 0.4357(3) 0.0197(10) Uani 1 1 d . . .
H9 H 0.0739 0.3688 0.4655 0.024 Uiso 1 1 calc R . .
C10 C -0.0058(2) 0.4183(2) 0.4674(3) 0.0221(11) Uani 1 1 d . . .
H10 H -0.0120 0.4080 0.5192 0.026 Uiso 1 1 calc R . .
C11 C -0.0474(2) 0.4560(2) 0.4242(3) 0.0220(11) Uani 1 1 d . . .
H11 H -0.0822 0.4715 0.4462 0.026 Uiso 1 1 calc R . .
C12 C -0.0386(2) 0.47135(19) 0.3489(3) 0.0172(10) Uani 1 1 d . . .
H12 H -0.0676 0.4971 0.3189 0.021 Uiso 1 1 calc R . .
C13 C 0.0129(2) 0.44901(19) 0.3171(3) 0.0155(10) Uani 1 1 d . . .
H13 H 0.0192 0.4599 0.2655 0.019 Uiso 1 1 calc R . .
C14 C -0.0506(2) 0.34569(18) 0.2086(3) 0.0147(9) Uani 1 1 d . . .
C15 C -0.0619(2) 0.33063(19) 0.2845(3) 0.0190(10) Uani 1 1 d . . .
H15 H -0.0311 0.3077 0.3181 0.023 Uiso 1 1 calc R . .
C16 C -0.1181(2) 0.3494(2) 0.3102(3) 0.0212(11) Uani 1 1 d . . .
H16 H -0.1256 0.3395 0.3617 0.025 Uiso 1 1 calc R . .
C17 C -0.1639(2) 0.3828(2) 0.2607(3) 0.0265(12) Uani 1 1 d . . .
H17 H -0.2031 0.3945 0.2777 0.032 Uiso 1 1 calc R . .
C18 C -0.1518(2) 0.3986(2) 0.1869(3) 0.0222(11) Uani 1 1 d . . .
H18 H -0.1823 0.4219 0.1537 0.027 Uiso 1 1 calc R . .
C19 C -0.0954(2) 0.38072(19) 0.1613(3) 0.0176(10) Uani 1 1 d . . .
H19 H -0.0871 0.3924 0.1110 0.021 Uiso 1 1 calc R . .
C20 C 0.0190(2) 0.24938(18) 0.1715(3) 0.0155(9) Uani 1 1 d . . .
C21 C -0.0297(2) 0.2190(2) 0.1975(3) 0.0252(11) Uani 1 1 d . . .
H21 H -0.0653 0.2364 0.2157 0.030 Uiso 1 1 calc R . .
C22 C -0.0266(3) 0.1635(2) 0.1971(3) 0.0329(13) Uani 1 1 d . . .
H22 H -0.0603 0.1431 0.2148 0.039 Uiso 1 1 calc R . .
C23 C 0.0243(3) 0.1377(2) 0.1714(3) 0.0324(13) Uani 1 1 d . . .
H23 H 0.0265 0.0996 0.1724 0.039 Uiso 1 1 calc R . .
C24 C 0.0728(3) 0.1671(2) 0.1439(3) 0.0293(12) Uani 1 1 d . . .
H24 H 0.1079 0.1492 0.1253 0.035 Uiso 1 1 calc R . .
C25 C 0.0701(2) 0.22286(19) 0.1435(3) 0.0207(10) Uani 1 1 d . . .
H25 H 0.1031 0.2430 0.1242 0.025 Uiso 1 1 calc R . .
C26 C 0.1717(2) 0.4966(2) 0.4285(3) 0.0221(11) Uani 1 1 d . . .
H26A H 0.1238 0.4989 0.4285 0.033 Uiso 1 1 calc R . .
H26B H 0.1944 0.5284 0.4552 0.033 Uiso 1 1 calc R . .
H26C H 0.1903 0.4642 0.4574 0.033 Uiso 1 1 calc R . .
C27 C 0.2759(2) 0.50475(19) 0.3259(3) 0.0197(10) Uani 1 1 d . . .
H27A H 0.3019 0.4771 0.3594 0.030 Uiso 1 1 calc R . .
H27B H 0.2887 0.5403 0.3486 0.030 Uiso 1 1 calc R . .
H27C H 0.2847 0.5027 0.2713 0.030 Uiso 1 1 calc R . .
C28 C 0.1350(2) 0.54950(19) 0.2673(3) 0.0226(11) Uani 1 1 d . . .
H28A H 0.1398 0.5492 0.2110 0.034 Uiso 1 1 calc R . .
H28B H 0.1512 0.5838 0.2920 0.034 Uiso 1 1 calc R . .
H28C H 0.0877 0.5450 0.2698 0.034 Uiso 1 1 calc R . .
C29 C -0.0615(2) 0.3927(2) -0.0575(3) 0.0264(12) Uani 1 1 d . . .
H29A H -0.0973 0.4055 -0.0316 0.040 Uiso 1 1 calc R . .
H29B H -0.0799 0.3842 -0.1139 0.040 Uiso 1 1 calc R . .
H29C H -0.0274 0.4208 -0.0546 0.040 Uiso 1 1 calc R . .
C30 C -0.0924(2) 0.2835(2) 0.0031(3) 0.0268(12) Uani 1 1 d . . .
H30A H -0.0735 0.2483 0.0206 0.040 Uiso 1 1 calc R . .
H30B H -0.1224 0.2800 -0.0495 0.040 Uiso 1 1 calc R . .
H30C H -0.1175 0.2972 0.0422 0.040 Uiso 1 1 calc R . .
C31 C 0.0286(2) 0.2970(2) -0.0684(3) 0.0277(12) Uani 1 1 d . . .
H31A H 0.0673 0.3195 -0.0721 0.041 Uiso 1 1 calc R . .
H31B H 0.0016 0.2912 -0.1223 0.041 Uiso 1 1 calc R . .
H31C H 0.0440 0.2624 -0.0442 0.041 Uiso 1 1 calc R . .
C32 C 0.1644(2) 0.4034(2) -0.0562(3) 0.0213(11) Uani 1 1 d . . .
H32A H 0.1731 0.3647 -0.0455 0.026 Uiso 1 1 calc R . .
H32B H 0.2066 0.4236 -0.0385 0.026 Uiso 1 1 calc R . .
C33 C 0.1356(3) 0.4132(2) -0.1455(3) 0.0276(12) Uani 1 1 d . . .
H33A H 0.1121 0.3810 -0.1710 0.033 Uiso 1 1 calc R . .
H33B H 0.1713 0.4232 -0.1745 0.033 Uiso 1 1 calc R . .
C34 C 0.0865(3) 0.4601(2) -0.1448(3) 0.0291(12) Uani 1 1 d . . .
H34A H 0.0995 0.4915 -0.1740 0.035 Uiso 1 1 calc R . .
H34B H 0.0404 0.4493 -0.1702 0.035 Uiso 1 1 calc R . .
C35 C 0.0912(2) 0.47321(19) -0.0566(3) 0.0220(11) Uani 1 1 d . . .
H35A H 0.1241 0.5021 -0.0390 0.026 Uiso 1 1 calc R . .
H35B H 0.0472 0.4845 -0.0462 0.026 Uiso 1 1 calc R . .
U2 U 0.371655(7) 0.919742(7) 0.363093(9) 0.01081(6) Uani 1 1 d . . .
O3 O 0.11297(15) 0.42270(12) -0.01549(19) 0.0163(7) Uani 1 1 d . . .
O4 O 0.43957(13) 0.96490(12) 0.36649(17) 0.0144(7) Uani 1 1 d . . .
O6 O 0.38285(14) 0.93239(13) 0.50847(18) 0.0152(7) Uani 1 1 d . . .
N3 N 0.46061(16) 0.84912(15) 0.4038(2) 0.0134(8) Uani 1 1 d . . .
N4 N 0.33902(16) 0.94531(14) 0.2167(2) 0.0104(7) Uani 1 1 d . . .
C40 C 0.3944(2) 0.84871(19) 0.2514(3) 0.0127(9) Uani 1 1 d . . .
H40 H 0.364(2) 0.833(2) 0.254(3) 0.027(16) Uiso 1 1 d . . .
Cl2 Cl 0.28583(5) 0.99940(5) 0.37914(7) 0.0182(2) Uani 1 1 d . . .
P3 P 0.46373(5) 0.82511(5) 0.31766(7) 0.0114(2) Uani 1 1 d . . .
P4 P 0.37163(5) 0.89667(5) 0.17729(7) 0.0112(2) Uani 1 1 d . . .
Si3 Si 0.50313(6) 0.82748(5) 0.49755(7) 0.0147(3) Uani 1 1 d . . .
Si4 Si 0.31987(6) 1.00965(5) 0.17774(7) 0.0140(3) Uani 1 1 d . . .
C41 C 0.31286(19) 0.86437(18) 0.0973(3) 0.0122(9) Uani 1 1 d . . .
C42 C 0.2511(2) 0.88697(18) 0.0659(3) 0.0162(10) Uani 1 1 d . . .
H42 H 0.2397 0.9206 0.0858 0.019 Uiso 1 1 calc R . .
C43 C 0.2058(2) 0.8616(2) 0.0061(3) 0.0210(11) Uani 1 1 d . . .
H43 H 0.1635 0.8776 -0.0141 0.025 Uiso 1 1 calc R . .
C44 C 0.2221(2) 0.8125(2) -0.0246(3) 0.0220(11) Uani 1 1 d . . .
H44 H 0.1915 0.7952 -0.0665 0.026 Uiso 1 1 calc R . .
C45 C 0.2834(2) 0.7894(2) 0.0068(3) 0.0221(11) Uani 1 1 d . . .
H45 H 0.2949 0.7559 -0.0137 0.027 Uiso 1 1 calc R . .
C46 C 0.3281(2) 0.81424(18) 0.0676(3) 0.0170(10) Uani 1 1 d . . .
H46 H 0.3695 0.7974 0.0894 0.020 Uiso 1 1 calc R . .
C47 C 0.4423(2) 0.91746(18) 0.1343(3) 0.0132(9) Uani 1 1 d . . .
C48 C 0.4509(2) 0.9022(2) 0.0588(3) 0.0190(10) Uani 1 1 d . . .
H48 H 0.4195 0.8790 0.0266 0.023 Uiso 1 1 calc R . .
C49 C 0.5059(2) 0.9211(2) 0.0303(3) 0.0249(12) Uani 1 1 d . . .
H49 H 0.5118 0.9107 -0.0216 0.030 Uiso 1 1 calc R . .
C50 C 0.5518(2) 0.9546(2) 0.0760(3) 0.0228(11) Uani 1 1 d . . .
H50 H 0.5890 0.9673 0.0556 0.027 Uiso 1 1 calc R . .
C51 C 0.5439(2) 0.9699(2) 0.1517(3) 0.0187(10) Uani 1 1 d . . .
H51 H 0.5759 0.9927 0.1837 0.022 Uiso 1 1 calc R . .
C52 C 0.4888(2) 0.95179(19) 0.1811(3) 0.0162(10) Uani 1 1 d . . .
H52 H 0.4828 0.9627 0.2328 0.019 Uiso 1 1 calc R . .
C53 C 0.5405(2) 0.84146(18) 0.2855(3) 0.0147(9) Uani 1 1 d . . .
C54 C 0.5520(2) 0.82599(19) 0.2102(3) 0.0178(10) Uani 1 1 d . . .
H54 H 0.5183 0.8074 0.1735 0.021 Uiso 1 1 calc R . .
C55 C 0.6125(2) 0.8379(2) 0.1895(3) 0.0235(11) Uani 1 1 d . . .
H55 H 0.6206 0.8270 0.1387 0.028 Uiso 1 1 calc R . .
C56 C 0.6613(2) 0.8658(2) 0.2426(3) 0.0258(12) Uani 1 1 d . . .
H56 H 0.7029 0.8736 0.2281 0.031 Uiso 1 1 calc R . .
C57 C 0.6501(2) 0.8821(2) 0.3159(3) 0.0237(11) Uani 1 1 d . . .
H57 H 0.6835 0.9016 0.3515 0.028 Uiso 1 1 calc R . .
C58 C 0.5894(2) 0.86988(19) 0.3379(3) 0.0195(10) Uani 1 1 d . . .
H58 H 0.5815 0.8810 0.3887 0.023 Uiso 1 1 calc R . .
C59 C 0.45587(19) 0.75214(18) 0.3184(2) 0.0129(9) Uani 1 1 d . . .
C60 C 0.4971(2) 0.71664(19) 0.2873(3) 0.0188(10) Uani 1 1 d . . .
H60 H 0.5317 0.7300 0.2627 0.023 Uiso 1 1 calc R . .
C61 C 0.4873(2) 0.6615(2) 0.2925(3) 0.0273(12) Uani 1 1 d . . .
H61 H 0.5156 0.6374 0.2717 0.033 Uiso 1 1 calc R . .
C62 C 0.4369(2) 0.6414(2) 0.3273(3) 0.0244(11) Uani 1 1 d . . .
H62 H 0.4305 0.6037 0.3302 0.029 Uiso 1 1 calc R . .
C63 C 0.3954(2) 0.6766(2) 0.3582(3) 0.0229(11) Uani 1 1 d . . .
H63 H 0.3607 0.6631 0.3824 0.028 Uiso 1 1 calc R . .
C64 C 0.4050(2) 0.73151(19) 0.3536(3) 0.0184(10) Uani 1 1 d . . .
H64 H 0.3766 0.7554 0.3747 0.022 Uiso 1 1 calc R . .
C65 C 0.4424(2) 0.7997(2) 0.5554(3) 0.0265(11) Uani 1 1 d . . .
H65A H 0.4059 0.8253 0.5544 0.040 Uiso 1 1 calc R . .
H65B H 0.4652 0.7934 0.6112 0.040 Uiso 1 1 calc R . .
H65C H 0.4243 0.7657 0.5312 0.040 Uiso 1 1 calc R . .
C66 C 0.5497(2) 0.8833(2) 0.5558(3) 0.0240(11) Uani 1 1 d . . .
H66A H 0.5858 0.8951 0.5295 0.036 Uiso 1 1 calc R . .
H66B H 0.5687 0.8710 0.6104 0.036 Uiso 1 1 calc R . .
H66C H 0.5192 0.9134 0.5583 0.036 Uiso 1 1 calc R . .
C67 C 0.5640(2) 0.7722(2) 0.4911(3) 0.0256(12) Uani 1 1 d . . .
H67A H 0.5396 0.7399 0.4690 0.038 Uiso 1 1 calc R . .
H67B H 0.5900 0.7644 0.5449 0.038 Uiso 1 1 calc R . .
H67C H 0.5942 0.7834 0.4560 0.038 Uiso 1 1 calc R . .
C68 C 0.3380(2) 1.0172(2) 0.0739(3) 0.0226(11) Uani 1 1 d . . .
H68A H 0.3865 1.0180 0.0773 0.034 Uiso 1 1 calc R . .
H68B H 0.3182 1.0507 0.0498 0.034 Uiso 1 1 calc R . .
H68C H 0.3188 0.9868 0.0405 0.034 Uiso 1 1 calc R . .
C69 C 0.2290(2) 1.02531(19) 0.1705(3) 0.0207(10) Uani 1 1 d . . .
H69A H 0.2022 1.0037 0.1276 0.031 Uiso 1 1 calc R . .
H69B H 0.2212 1.0635 0.1583 0.031 Uiso 1 1 calc R . .
H69C H 0.2162 1.0169 0.2217 0.031 Uiso 1 1 calc R . .
C70 C 0.3723(2) 1.06091(19) 0.2403(3) 0.0218(11) Uani 1 1 d . . .
H70A H 0.3642 1.0596 0.2952 0.033 Uiso 1 1 calc R . .
H70B H 0.3608 1.0966 0.2175 0.033 Uiso 1 1 calc R . .
H70C H 0.4196 1.0536 0.2411 0.033 Uiso 1 1 calc R . .
C71 C 0.6761(2) 0.7176(2) 0.2856(3) 0.0298(12) Uani 1 1 d . . .
H71A H 0.6692 0.6894 0.3242 0.036 Uiso 1 1 calc R . .
H71B H 0.6538 0.7509 0.2981 0.036 Uiso 1 1 calc R . .
C72 C 0.7504(2) 0.7274(3) 0.2908(4) 0.0458(17) Uani 1 1 d . . .
H72A H 0.7621 0.7652 0.3055 0.055 Uiso 1 1 calc R . .
H72B H 0.7775 0.7035 0.3313 0.055 Uiso 1 1 calc R . .
C73 C 0.7616(3) 0.7157(4) 0.2126(4) 0.080(3) Uani 1 1 d . . .
H73A H 0.8036 0.6950 0.2165 0.096 Uiso 1 1 calc R . .
H73B H 0.7657 0.7494 0.1831 0.096 Uiso 1 1 calc R . .
C74 C 0.7045(3) 0.6840(3) 0.1697(3) 0.0389(15) Uani 1 1 d . . .
H74A H 0.6957 0.6919 0.1114 0.047 Uiso 1 1 calc R . .
H74B H 0.7130 0.6451 0.1777 0.047 Uiso 1 1 calc R . .
O7 O 0.2454(3) 0.7501(3) 0.1981(4) 0.106(2) Uani 1 1 d . . .
C36A C 0.2173(5) 0.7342(4) 0.2711(6) 0.035(2) Uiso 0.644(8) 1 d PD A 1
H36A H 0.2533 0.7294 0.3192 0.042 Uiso 0.644(8) 1 calc PR A 1
H36B H 0.1849 0.7612 0.2828 0.042 Uiso 0.644(8) 1 calc PR A 1
C37A C 0.1841(3) 0.6828(3) 0.2445(5) 0.0126(13) Uiso 0.644(8) 1 d PD A 1
H37A H 0.1729 0.6630 0.2906 0.015 Uiso 0.644(8) 1 calc PR A 1
H37B H 0.1426 0.6889 0.2040 0.015 Uiso 0.644(8) 1 calc PR A 1
C36B C 0.1916(8) 0.7263(6) 0.2422(10) 0.035(2) Uiso 0.356(8) 1 d PD A 2
H36C H 0.1845 0.7514 0.2849 0.042 Uiso 0.356(8) 1 calc PR A 2
H36D H 0.1487 0.7223 0.2035 0.042 Uiso 0.356(8) 1 calc PR A 2
C37B C 0.2111(7) 0.6784(5) 0.2750(8) 0.0126(13) Uiso 0.356(8) 1 d PD A 2
H37C H 0.1734 0.6587 0.2902 0.015 Uiso 0.356(8) 1 calc PR A 2
H37D H 0.2478 0.6820 0.3225 0.015 Uiso 0.356(8) 1 calc PR A 2
C38 C 0.2330(3) 0.6535(3) 0.2099(4) 0.0485(17) Uani 1 1 d . . .
H38A H 0.2109 0.6258 0.1719 0.058 Uiso 1 1 calc R A 1
H38B H 0.2664 0.6359 0.2524 0.058 Uiso 1 1 calc R A 1
C39 C 0.2663(3) 0.6961(2) 0.1661(4) 0.0406(15) Uani 1 1 d . A .
H39A H 0.2503 0.6935 0.1072 0.049 Uiso 1 1 calc R . .
H39B H 0.3156 0.6920 0.1785 0.049 Uiso 1 1 calc R . .
O8 O 0.64904(15) 0.70058(15) 0.2045(2) 0.0317(9) Uani 1 1 d . . .
C75 C 0.3296(2) 0.91762(19) 0.5491(3) 0.0187(10) Uani 1 1 d . . .
H75A H 0.3166 0.8796 0.5385 0.022 Uiso 1 1 calc R . .
H75B H 0.2898 0.9406 0.5312 0.022 Uiso 1 1 calc R . .
C76 C 0.3588(2) 0.9264(2) 0.6378(3) 0.0211(11) Uani 1 1 d . . .
H76A H 0.3799 0.8932 0.6629 0.025 Uiso 1 1 calc R . .
H76B H 0.3238 0.9381 0.6668 0.025 Uiso 1 1 calc R . .
C77 C 0.4111(2) 0.9708(2) 0.6381(3) 0.0270(12) Uani 1 1 d . . .
H77A H 0.3991 1.0035 0.6650 0.032 Uiso 1 1 calc R . .
H77B H 0.4560 0.9586 0.6659 0.032 Uiso 1 1 calc R . .
C78 C 0.4098(2) 0.98147(19) 0.5497(3) 0.0198(10) Uani 1 1 d . . .
H78A H 0.3809 1.0126 0.5305 0.024 Uiso 1 1 calc R . .
H78B H 0.4554 0.9887 0.5407 0.024 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 U1 O2 175.12(13) . . ?
O1 U1 O3 85.77(12) . . ?
O2 U1 O3 89.69(12) . . ?
O1 U1 N1 98.97(12) . . ?
O2 U1 N1 85.91(12) . . ?
O3 U1 N1 157.30(11) . . ?
O1 U1 N2 93.32(12) . . ?
O2 U1 N2 84.33(12) . . ?
O3 U1 N2 83.01(11) . . ?
N1 U1 N2 118.58(11) . . ?
O1 U1 Cl1 88.57(10) . . ?
O2 U1 Cl1 92.01(10) . . ?
O3 U1 Cl1 75.12(7) . . ?
N1 U1 Cl1 82.78(8) . . ?
N2 U1 Cl1 157.86(8) . . ?
O1 U1 C1 81.38(13) . . ?
O2 U1 C1 101.15(13) . . ?
O3 U1 C1 141.14(12) . . ?
N1 U1 C1 61.47(12) . . ?
N2 U1 C1 61.47(12) . . ?
Cl1 U1 C1 140.43(9) . . ?
O1 U1 P2 92.25(10) . . ?
O2 U1 P2 87.81(10) . . ?
O3 U1 P2 112.40(7) . . ?
N1 U1 P2 89.70(8) . . ?
N2 U1 P2 29.56(8) . . ?
Cl1 U1 P2 172.47(3) . . ?
C1 U1 P2 32.68(9) . . ?
O1 U1 P1 94.69(10) . . ?
O2 U1 P1 89.60(10) . . ?
O3 U1 P1 173.08(7) . . ?
N1 U1 P1 29.38(8) . . ?
N2 U1 P1 90.06(8) . . ?
Cl1 U1 P1 111.79(3) . . ?
C1 U1 P1 32.61(9) . . ?
P2 U1 P1 60.69(3) . . ?
P1 N1 Si1 126.1(2) . . ?
P1 N1 U1 100.19(17) . . ?
Si1 N1 U1 128.61(19) . . ?
P2 N2 Si2 127.5(2) . . ?
P2 N2 U1 99.26(16) . . ?
Si2 N2 U1 133.20(19) . . ?
P1 C1 P2 139.0(3) . . ?
P1 C1 U1 89.72(18) . . ?
P2 C1 U1 89.61(17) . . ?
P1 C1 H1 110(4) . . ?
P2 C1 H1 111(4) . . ?
U1 C1 H1 99(4) . . ?
N1 P1 C1 106.9(2) . . ?
N1 P1 C2 113.04(19) . . ?
C1 P1 C2 105.0(2) . . ?
N1 P1 C8 111.6(2) . . ?
C1 P1 C8 112.8(2) . . ?
C2 P1 C8 107.4(2) . . ?
N1 P1 U1 50.43(13) . . ?
C1 P1 U1 57.67(14) . . ?
C2 P1 U1 132.84(14) . . ?
C8 P1 U1 119.80(15) . . ?
N2 P2 C1 107.15(19) . . ?
N2 P2 C14 113.1(2) . . ?
C1 P2 C14 111.3(2) . . ?
N2 P2 C20 111.6(2) . . ?
C1 P2 C20 105.9(2) . . ?
C14 P2 C20 107.5(2) . . ?
N2 P2 U1 51.18(12) . . ?
C1 P2 U1 57.71(14) . . ?
C14 P2 U1 117.84(15) . . ?
C20 P2 U1 134.62(14) . . ?
N1 Si1 C28 110.7(2) . . ?
N1 Si1 C27 110.42(19) . . ?
C28 Si1 C27 110.0(2) . . ?
N1 Si1 C26 111.9(2) . . ?
C28 Si1 C26 106.6(2) . . ?
C27 Si1 C26 107.1(2) . . ?
N2 Si2 C31 109.12(19) . . ?
N2 Si2 C29 111.7(2) . . ?
C31 Si2 C29 109.4(2) . . ?
N2 Si2 C30 112.9(2) . . ?
C31 Si2 C30 105.9(2) . . ?
C29 Si2 C30 107.7(2) . . ?
C3 C2 C7 118.2(4) . . ?
C3 C2 P1 122.1(4) . . ?
C7 C2 P1 119.7(3) . . ?
C4 C3 C2 120.7(5) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 119.9(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.8(5) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C7 119.5(5) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C6 C7 C2 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C2 C7 H7 119.6 . . ?
C9 C8 C13 119.4(4) . . ?
C9 C8 P1 123.3(3) . . ?
C13 C8 P1 117.3(3) . . ?
C8 C9 C10 119.7(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 120.5(4) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.1(4) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C13 119.9(4) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C8 120.3(4) . . ?
C12 C13 H13 119.8 . . ?
C8 C13 H13 119.8 . . ?
C19 C14 C15 119.0(4) . . ?
C19 C14 P2 119.8(3) . . ?
C15 C14 P2 121.1(3) . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.4(5) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 119.7(4) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 120.3(5) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C14 120.7(4) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C21 C20 C25 118.8(4) . . ?
C21 C20 P2 124.2(4) . . ?
C25 C20 P2 117.0(3) . . ?
C22 C21 C20 120.4(5) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 120.6(5) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.0(5) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.0(5) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C20 120.2(5) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O3 C32 C33 104.4(4) . . ?
O3 C32 H32A 110.9 . . ?
C33 C32 H32A 110.9 . . ?
O3 C32 H32B 110.9 . . ?
C33 C32 H32B 110.9 . . ?
H32A C32 H32B 108.9 . . ?
C32 C33 C34 103.6(4) . . ?
C32 C33 H33A 111.0 . . ?
C34 C33 H33A 111.0 . . ?
C32 C33 H33B 111.0 . . ?
C34 C33 H33B 111.0 . . ?
H33A C33 H33B 109.0 . . ?
C35 C34 C33 105.0(4) . . ?
C35 C34 H34A 110.8 . . ?
C33 C34 H34A 110.8 . . ?
C35 C34 H34B 110.8 . . ?
C33 C34 H34B 110.8 . . ?
H34A C34 H34B 108.8 . . ?
O3 C35 C34 103.8(4) . . ?
O3 C35 H35A 111.0 . . ?
C34 C35 H35A 111.0 . . ?
O3 C35 H35B 111.0 . . ?
C34 C35 H35B 111.0 . . ?
H35A C35 H35B 109.0 . . ?
O4 U2 O5 174.53(13) . . ?
O4 U2 O6 88.38(12) . . ?
O5 U2 O6 86.65(12) . . ?
O4 U2 N3 85.33(12) . . ?
O5 U2 N3 91.89(13) . . ?
O6 U2 N3 84.08(11) . . ?
O4 U2 N4 85.54(12) . . ?
O5 U2 N4 99.93(12) . . ?
O6 U2 N4 155.79(11) . . ?
N3 U2 N4 118.64(11) . . ?
O4 U2 Cl2 92.84(10) . . ?
O5 U2 Cl2 88.04(10) . . ?
O6 U2 Cl2 74.64(7) . . ?
N3 U2 Cl2 158.68(8) . . ?
N4 U2 Cl2 82.28(8) . . ?
O4 U2 C40 101.21(13) . . ?
O5 U2 C40 81.50(13) . . ?
O6 U2 C40 142.79(12) . . ?
N3 U2 C40 61.36(12) . . ?
N4 U2 C40 61.41(12) . . ?
Cl2 U2 C40 139.41(10) . . ?
O4 U2 P3 88.96(10) . . ?
O5 U2 P3 90.92(10) . . ?
O6 U2 P3 113.34(7) . . ?
N3 U2 P3 29.38(8) . . ?
N4 U2 P3 89.99(8) . . ?
Cl2 U2 P3 171.89(3) . . ?
C40 U2 P3 32.59(9) . . ?
C32 O3 C35 103.7(3) . . ?
C32 O3 U1 121.0(3) . . ?
C35 O3 U1 122.8(3) . . ?
C75 O6 C78 103.3(3) . . ?
C75 O6 U2 121.3(3) . . ?
C78 O6 U2 122.7(3) . . ?
P3 N3 Si3 128.3(2) . . ?
P3 N3 U2 99.71(16) . . ?
Si3 N3 U2 131.82(18) . . ?
P4 N4 Si4 128.2(2) . . ?
P4 N4 U2 99.93(16) . . ?
Si4 N4 U2 126.81(18) . . ?
P3 C40 P4 140.8(3) . . ?
P3 C40 U2 89.91(18) . . ?
P4 C40 U2 90.00(18) . . ?
P3 C40 H40 111(4) . . ?
P4 C40 H40 108(4) . . ?
U2 C40 H40 93(4) . . ?
N3 P3 C40 107.0(2) . . ?
N3 P3 C53 113.0(2) . . ?
C40 P3 C53 111.9(2) . . ?
N3 P3 C59 110.3(2) . . ?
C40 P3 C59 106.4(2) . . ?
C53 P3 C59 108.0(2) . . ?
N3 P3 U2 50.91(13) . . ?
C40 P3 U2 57.50(15) . . ?
C53 P3 U2 119.57(15) . . ?
C59 P3 U2 132.41(13) . . ?
N4 P4 C40 107.1(2) . . ?
N4 P4 C41 112.54(19) . . ?
C40 P4 C41 106.3(2) . . ?
N4 P4 C47 112.6(2) . . ?
C40 P4 C47 111.7(2) . . ?
C41 P4 C47 106.5(2) . . ?
N3 Si3 C66 111.4(2) . . ?
N3 Si3 C65 109.62(19) . . ?
C66 Si3 C65 108.7(2) . . ?
N3 Si3 C67 112.9(2) . . ?
C66 Si3 C67 107.9(2) . . ?
C65 Si3 C67 106.1(2) . . ?
N4 Si4 C70 110.8(2) . . ?
N4 Si4 C69 111.02(19) . . ?
C70 Si4 C69 110.1(2) . . ?
N4 Si4 C68 112.0(2) . . ?
C70 Si4 C68 105.5(2) . . ?
C69 Si4 C68 107.2(2) . . ?
C42 C41 C46 118.2(4) . . ?
C42 C41 P4 121.5(3) . . ?
C46 C41 P4 120.2(3) . . ?
C43 C42 C41 121.4(4) . . ?
C43 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?
C42 C43 C44 120.1(4) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C45 C44 C43 119.0(4) . . ?
C45 C44 H44 120.5 . . ?
C43 C44 H44 120.5 . . ?
C46 C45 C44 120.9(5) . . ?
C46 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
C45 C46 C41 120.4(4) . . ?
C45 C46 H46 119.8 . . ?
C41 C46 H46 119.8 . . ?
C48 C47 C52 119.8(4) . . ?
C48 C47 P4 123.7(3) . . ?
C52 C47 P4 116.6(3) . . ?
C47 C48 C49 119.5(4) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 H48 120.2 . . ?
C50 C49 C48 121.0(5) . . ?
C50 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C49 C50 C51 120.0(4) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 C52 119.8(4) . . ?
C50 C51 H51 120.1 . . ?
C52 C51 H51 120.1 . . ?
C51 C52 C47 119.8(4) . . ?
C51 C52 H52 120.1 . . ?
C47 C52 H52 120.1 . . ?
C58 C53 C54 119.7(4) . . ?
C58 C53 P3 118.4(3) . . ?
C54 C53 P3 121.9(3) . . ?
C55 C54 C53 119.6(4) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 120.2(5) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C57 C56 C55 120.6(4) . . ?
C57 C56 H56 119.7 . . ?
C55 C56 H56 119.7 . . ?
C56 C57 C58 119.8(5) . . ?
C56 C57 H57 120.1 . . ?
C58 C57 H57 120.1 . . ?
C53 C58 C57 120.0(4) . . ?
C53 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C60 C59 C64 119.1(4) . . ?
C60 C59 P3 124.6(3) . . ?
C64 C59 P3 116.3(3) . . ?
C61 C60 C59 119.7(4) . . ?
C61 C60 H60 120.2 . . ?
C59 C60 H60 120.2 . . ?
C62 C61 C60 121.0(5) . . ?
C62 C61 H61 119.5 . . ?
C60 C61 H61 119.5 . . ?
C61 C62 C63 119.6(5) . . ?
C61 C62 H62 120.2 . . ?
C63 C62 H62 120.2 . . ?
C64 C63 C62 119.8(4) . . ?
C64 C63 H63 120.1 . . ?
C62 C63 H63 120.1 . . ?
C63 C64 C59 120.9(4) . . ?
C63 C64 H64 119.6 . . ?
C59 C64 H64 119.6 . . ?
Si3 C65 H65A 109.5 . . ?
Si3 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
Si3 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
Si3 C66 H66A 109.5 . . ?
Si3 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
Si3 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Si3 C67 H67A 109.5 . . ?
Si3 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
Si3 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
Si4 C68 H68A 109.5 . . ?
Si4 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
Si4 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
Si4 C69 H69A 109.5 . . ?
Si4 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
Si4 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
Si4 C70 H70A 109.5 . . ?
Si4 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
Si4 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
O8 C71 C72 106.8(4) . . ?
O8 C71 H71A 110.4 . . ?
C72 C71 H71A 110.4 . . ?
O8 C71 H71B 110.4 . . ?
C72 C71 H71B 110.4 . . ?
H71A C71 H71B 108.6 . . ?
C73 C72 C71 104.9(5) . . ?
C73 C72 H72A 110.8 . . ?
C71 C72 H72A 110.8 . . ?
C73 C72 H72B 110.8 . . ?
C71 C72 H72B 110.8 . . ?
H72A C72 H72B 108.8 . . ?
C72 C73 C74 108.2(5) . . ?
C72 C73 H73A 110.1 . . ?
C74 C73 H73A 110.1 . . ?
C72 C73 H73B 110.1 . . ?
C74 C73 H73B 110.1 . . ?
H73A C73 H73B 108.4 . . ?
O8 C74 C73 104.7(5) . . ?
O8 C74 H74A 110.8 . . ?
C73 C74 H74A 110.8 . . ?
O8 C74 H74B 110.8 . . ?
C73 C74 H74B 110.8 . . ?
H74A C74 H74B 108.9 . . ?
C36A O7 C39 103.8(5) . . ?
C36A O7 C36B 25.1(6) . . ?
C39 O7 C36B 96.4(7) . . ?
C37A C36A O7 101.6(7) . . ?
C37A C36A H36A 111.5 . . ?
O7 C36A H36A 111.5 . . ?
C37A C36A H36B 111.5 . . ?
O7 C36A H36B 111.5 . . ?
H36A C36A H36B 109.3 . . ?
C38 C37A C36A 104.5(6) . . ?
C38 C37A H37A 110.9 . . ?
C36A C37A H37A 110.9 . . ?
C38 C37A H37B 110.9 . . ?
C36A C37A H37B 110.9 . . ?
H37A C37A H37B 108.9 . . ?
C37B C36B O7 110.9(11) . . ?
C37B C36B H36C 109.5 . . ?
O7 C36B H36C 109.5 . . ?
C37B C36B H36D 109.5 . . ?
O7 C36B H36D 109.5 . . ?
H36C C36B H36D 108.0 . . ?
C36B C37B C38 100.3(11) . . ?
C36B C37B H37C 111.7 . . ?
C38 C37B H37C 111.7 . . ?
C36B C37B H37D 111.7 . . ?
C38 C37B H37D 111.7 . . ?
H37C C37B H37D 109.5 . . ?
C37B C38 C37A 27.5(5) . . ?
C37B C38 C39 108.4(7) . . ?
C37A C38 C39 104.9(5) . . ?
C37B C38 H38A 129.8 . . ?
C37A C38 H38A 110.8 . . ?
C39 C38 H38A 110.8 . . ?
C37B C38 H38B 84.5 . . ?
C37A C38 H38B 110.8 . . ?
C39 C38 H38B 110.8 . . ?
H38A C38 H38B 108.9 . . ?
C38 C39 O7 104.5(4) . . ?
C38 C39 H39A 110.9 . . ?
O7 C39 H39A 110.9 . . ?
C38 C39 H39B 110.9 . . ?
O7 C39 H39B 110.9 . . ?
H39A C39 H39B 108.9 . . ?
C74 O8 C71 107.2(4) . . ?
O6 C75 C76 104.7(4) . . ?
O6 C75 H75A 110.8 . . ?
C76 C75 H75A 110.8 . . ?
O6 C75 H75B 110.8 . . ?
C76 C75 H75B 110.8 . . ?
H75A C75 H75B 108.9 . . ?
C75 C76 C77 103.9(4) . . ?
C75 C76 H76A 111.0 . . ?
C77 C76 H76A 111.0 . . ?
C75 C76 H76B 111.0 . . ?
C77 C76 H76B 111.0 . . ?
H76A C76 H76B 109.0 . . ?
C78 C77 C76 104.4(4) . . ?
C78 C77 H77A 110.9 . . ?
C76 C77 H77A 110.9 . . ?
C78 C77 H77B 110.9 . . ?
C76 C77 H77B 110.9 . . ?
H77A C77 H77B 108.9 . . ?
O6 C78 C77 104.9(4) . . ?
O6 C78 H78A 110.8 . . ?
C77 C78 H78A 110.8 . . ?
O6 C78 H78B 110.8 . . ?
C77 C78 H78B 110.8 . . ?
H78A C78 H78B 108.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 O1 1.773(3) . ?
U1 O2 1.783(3) . ?
U1 O3 2.467(3) . ?
U1 N1 2.510(3) . ?
U1 N2 2.528(3) . ?
U1 Cl1 2.6806(11) . ?
U1 C1 2.707(4) . ?
U1 P2 3.2027(12) . ?
U1 P1 3.2042(12) . ?
N1 P1 1.597(4) . ?
N1 Si1 1.743(4) . ?
N2 P2 1.601(4) . ?
N2 Si2 1.730(4) . ?
C1 P1 1.727(4) . ?
C1 P2 1.729(4) . ?
C1 H1 0.80(6) . ?
P1 C2 1.810(4) . ?
P1 C8 1.817(4) . ?
P2 C14 1.800(4) . ?
P2 C20 1.819(5) . ?
Si1 C28 1.862(5) . ?
Si1 C27 1.873(4) . ?
Si1 C26 1.875(5) . ?
Si2 C31 1.857(5) . ?
Si2 C29 1.864(5) . ?
Si2 C30 1.877(5) . ?
C2 C3 1.392(6) . ?
C2 C7 1.409(6) . ?
C3 C4 1.382(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.381(6) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.387(6) . ?
C8 C13 1.395(6) . ?
C9 C10 1.397(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.374(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.380(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.391(6) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.396(6) . ?
C14 C15 1.406(6) . ?
C15 C16 1.389(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.399(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.383(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.389(6) . ?
C20 C25 1.396(6) . ?
C21 C22 1.384(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.366(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(7) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
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 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
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 O3 1.449(5) . ?
C32 C33 1.532(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.540(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.518(6) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 O3 1.464(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
U2 O4 1.777(3) . ?
O5 U2 1.780(3) . ?
U2 O6 2.454(3) . ?
U2 N3 2.523(3) . ?
U2 N4 2.524(3) . ?
U2 Cl2 2.6962(11) . ?
U2 C40 2.702(4) . ?
U2 P3 3.2035(12) . ?
O6 C75 1.447(5) . ?
O6 C78 1.461(5) . ?
N3 P3 1.594(4) . ?
N3 Si3 1.739(4) . ?
N4 P4 1.593(4) . ?
N4 Si4 1.748(4) . ?
C40 P3 1.725(4) . ?
C40 P4 1.729(5) . ?
C40 H40 0.74(5) . ?
P3 C53 1.807(4) . ?
P3 C59 1.824(5) . ?
P4 C41 1.811(4) . ?
P4 C47 1.818(4) . ?
Si3 C66 1.855(5) . ?
Si3 C65 1.862(5) . ?
Si3 C67 1.872(5) . ?
Si4 C70 1.856(5) . ?
Si4 C69 1.874(4) . ?
Si4 C68 1.883(5) . ?
C41 C42 1.386(6) . ?
C41 C46 1.405(6) . ?
C42 C43 1.381(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.396(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.384(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.379(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.382(6) . ?
C47 C52 1.401(6) . ?
C48 C49 1.390(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.373(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.381(6) . ?
C50 H50 0.9500 . ?
C51 C52 1.394(6) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C58 1.389(6) . ?
C53 C54 1.400(6) . ?
C54 C55 1.382(6) . ?
C54 H54 0.9500 . ?
C55 C56 1.388(7) . ?
C55 H55 0.9500 . ?
C56 C57 1.372(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.397(6) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.396(6) . ?
C59 C64 1.396(6) . ?
C60 C61 1.392(7) . ?
C60 H60 0.9500 . ?
C61 C62 1.380(7) . ?
C61 H61 0.9500 . ?
C62 C63 1.393(6) . ?
C62 H62 0.9500 . ?
C63 C64 1.385(7) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
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 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 O8 1.441(6) . ?
C71 C72 1.522(6) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.424(8) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.473(8) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 O8 1.438(6) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
O7 C36A 1.518(10) . ?
O7 C39 1.542(8) . ?
O7 C36B 1.564(16) . ?
C36A C37A 1.476(10) . ?
C36A H36A 0.9900 . ?
C36A H36B 0.9900 . ?
C37A C38 1.453(8) . ?
C37A H37A 0.9900 . ?
C37A H37B 0.9900 . ?
C36B C37B 1.342(14) . ?
C36B H36C 0.9900 . ?
C36B H36D 0.9900 . ?
C37B C38 1.417(13) . ?
C37B H37C 0.9900 . ?
C37B H37D 0.9900 . ?
C38 C39 1.532(7) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C75 C76 1.520(6) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.536(7) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.519(6) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 U1 N1 P1 -83.58(18) . . . . ?
O2 U1 N1 P1 96.48(18) . . . . ?
O3 U1 N1 P1 175.82(19) . . . . ?
N2 U1 N1 P1 15.2(2) . . . . ?
Cl1 U1 N1 P1 -170.97(16) . . . . ?
C1 U1 N1 P1 -8.56(15) . . . . ?
P2 U1 N1 P1 8.65(15) . . . . ?
O1 U1 N1 Si1 120.9(2) . . . . ?
O2 U1 N1 Si1 -59.1(2) . . . . ?
O3 U1 N1 Si1 20.3(4) . . . . ?
N2 U1 N1 Si1 -140.3(2) . . . . ?
Cl1 U1 N1 Si1 33.5(2) . . . . ?
C1 U1 N1 Si1 -164.1(3) . . . . ?
P2 U1 N1 Si1 -146.9(2) . . . . ?
P1 U1 N1 Si1 -155.6(3) . . . . ?
O1 U1 N2 P2 88.70(17) . . . . ?
O2 U1 N2 P2 -95.59(17) . . . . ?
O3 U1 N2 P2 174.02(17) . . . . ?
N1 U1 N2 P2 -13.4(2) . . . . ?
Cl1 U1 N2 P2 -176.92(10) . . . . ?
C1 U1 N2 P2 10.38(15) . . . . ?
P1 U1 N2 P2 -6.00(14) . . . . ?
O1 U1 N2 Si2 -92.5(3) . . . . ?
O2 U1 N2 Si2 83.2(3) . . . . ?
O3 U1 N2 Si2 -7.2(2) . . . . ?
N1 U1 N2 Si2 165.4(2) . . . . ?
Cl1 U1 N2 Si2 1.9(4) . . . . ?
C1 U1 N2 Si2 -170.8(3) . . . . ?
P2 U1 N2 Si2 178.8(4) . . . . ?
P1 U1 N2 Si2 172.8(2) . . . . ?
O1 U1 C1 P1 112.97(18) . . . . ?
O2 U1 C1 P1 -71.26(18) . . . . ?
O3 U1 C1 P1 -174.91(12) . . . . ?
N1 U1 C1 P1 7.79(13) . . . . ?
N2 U1 C1 P1 -148.4(2) . . . . ?
Cl1 U1 C1 P1 35.9(2) . . . . ?
P2 U1 C1 P1 -139.0(3) . . . . ?
O1 U1 C1 P2 -108.05(18) . . . . ?
O2 U1 C1 P2 67.71(18) . . . . ?
O3 U1 C1 P2 -35.9(3) . . . . ?
N1 U1 C1 P2 146.8(2) . . . . ?
N2 U1 C1 P2 -9.47(13) . . . . ?
Cl1 U1 C1 P2 174.83(7) . . . . ?
P1 U1 C1 P2 139.0(3) . . . . ?
Si1 N1 P1 C1 168.8(3) . . . . ?
U1 N1 P1 C1 12.4(2) . . . . ?
Si1 N1 P1 C2 -76.2(3) . . . . ?
U1 N1 P1 C2 127.38(18) . . . . ?
Si1 N1 P1 C8 44.9(3) . . . . ?
U1 N1 P1 C8 -111.48(18) . . . . ?
Si1 N1 P1 U1 156.4(3) . . . . ?
P2 C1 P1 N1 -100.4(4) . . . . ?
U1 C1 P1 N1 -11.28(19) . . . . ?
P2 C1 P1 C2 139.3(4) . . . . ?
U1 C1 P1 C2 -131.60(16) . . . . ?
P2 C1 P1 C8 22.7(5) . . . . ?
U1 C1 P1 C8 111.82(18) . . . . ?
P2 C1 P1 U1 -89.1(4) . . . . ?
O1 U1 P1 N1 99.98(19) . . . . ?
O2 U1 P1 N1 -82.35(19) . . . . ?
O3 U1 P1 N1 -166.5(6) . . . . ?
N2 U1 P1 N1 -166.68(18) . . . . ?
Cl1 U1 P1 N1 9.65(17) . . . . ?
C1 U1 P1 N1 166.0(2) . . . . ?
P2 U1 P1 N1 -170.07(17) . . . . ?
O1 U1 P1 C1 -65.97(19) . . . . ?
O2 U1 P1 C1 111.7(2) . . . . ?
O3 U1 P1 C1 27.5(6) . . . . ?
N1 U1 P1 C1 -166.0(2) . . . . ?
N2 U1 P1 C1 27.37(19) . . . . ?
Cl1 U1 P1 C1 -156.30(17) . . . . ?
P2 U1 P1 C1 23.98(17) . . . . ?
O1 U1 P1 C2 14.2(2) . . . . ?
O2 U1 P1 C2 -168.1(2) . . . . ?
O3 U1 P1 C2 107.7(6) . . . . ?
N1 U1 P1 C2 -85.8(3) . . . . ?
N2 U1 P1 C2 107.6(2) . . . . ?
Cl1 U1 P1 C2 -76.1(2) . . . . ?
C1 U1 P1 C2 80.2(3) . . . . ?
P2 U1 P1 C2 104.2(2) . . . . ?
O1 U1 P1 C8 -165.58(18) . . . . ?
O2 U1 P1 C8 12.08(19) . . . . ?
O3 U1 P1 C8 -72.1(6) . . . . ?
N1 U1 P1 C8 94.4(2) . . . . ?
N2 U1 P1 C8 -72.24(18) . . . . ?
Cl1 U1 P1 C8 104.09(16) . . . . ?
C1 U1 P1 C8 -99.6(2) . . . . ?
P2 U1 P1 C8 -75.63(16) . . . . ?
Si2 N2 P2 C1 166.1(3) . . . . ?
U1 N2 P2 C1 -15.0(2) . . . . ?
Si2 N2 P2 C14 -70.9(3) . . . . ?
U1 N2 P2 C14 108.00(18) . . . . ?
Si2 N2 P2 C20 50.5(3) . . . . ?
U1 N2 P2 C20 -130.60(16) . . . . ?
Si2 N2 P2 U1 -178.9(3) . . . . ?
P1 C1 P2 N2 103.0(4) . . . . ?
U1 C1 P2 N2 13.8(2) . . . . ?
P1 C1 P2 C14 -21.1(5) . . . . ?
U1 C1 P2 C14 -110.26(18) . . . . ?
P1 C1 P2 C20 -137.7(4) . . . . ?
U1 C1 P2 C20 133.13(17) . . . . ?
P1 C1 P2 U1 89.1(4) . . . . ?
O1 U1 P2 N2 -92.77(19) . . . . ?
O2 U1 P2 N2 82.34(19) . . . . ?
O3 U1 P2 N2 -6.42(18) . . . . ?
N1 U1 P2 N2 168.26(18) . . . . ?
Cl1 U1 P2 N2 171.1(3) . . . . ?
C1 U1 P2 N2 -163.0(2) . . . . ?
P1 U1 P2 N2 173.12(17) . . . . ?
O1 U1 P2 C1 70.2(2) . . . . ?
O2 U1 P2 C1 -114.7(2) . . . . ?
O3 U1 P2 C1 156.53(19) . . . . ?
N1 U1 P2 C1 -28.79(19) . . . . ?
N2 U1 P2 C1 163.0(2) . . . . ?
Cl1 U1 P2 C1 -26.0(3) . . . . ?
P1 U1 P2 C1 -23.93(18) . . . . ?
O1 U1 P2 C14 168.98(19) . . . . ?
O2 U1 P2 C14 -15.91(19) . . . . ?
O3 U1 P2 C14 -104.67(18) . . . . ?
N1 U1 P2 C14 70.01(18) . . . . ?
N2 U1 P2 C14 -98.2(2) . . . . ?
Cl1 U1 P2 C14 72.8(3) . . . . ?
C1 U1 P2 C14 98.8(2) . . . . ?
P1 U1 P2 C14 74.87(17) . . . . ?
O1 U1 P2 C20 -10.2(2) . . . . ?
O2 U1 P2 C20 164.9(2) . . . . ?
O3 U1 P2 C20 76.2(2) . . . . ?
N1 U1 P2 C20 -109.2(2) . . . . ?
N2 U1 P2 C20 82.6(3) . . . . ?
Cl1 U1 P2 C20 -106.3(3) . . . . ?
C1 U1 P2 C20 -80.4(3) . . . . ?
P1 U1 P2 C20 -104.3(2) . . . . ?
P1 N1 Si1 C28 -112.6(3) . . . . ?
U1 N1 Si1 C28 37.1(3) . . . . ?
P1 N1 Si1 C27 125.4(3) . . . . ?
U1 N1 Si1 C27 -84.9(3) . . . . ?
P1 N1 Si1 C26 6.2(3) . . . . ?
U1 N1 Si1 C26 155.9(2) . . . . ?
P2 N2 Si2 C31 -114.0(3) . . . . ?
U1 N2 Si2 C31 67.5(3) . . . . ?
P2 N2 Si2 C29 124.9(3) . . . . ?
U1 N2 Si2 C29 -53.6(3) . . . . ?
P2 N2 Si2 C30 3.4(4) . . . . ?
U1 N2 Si2 C30 -175.1(2) . . . . ?
N1 P1 C2 C3 10.7(4) . . . . ?
C1 P1 C2 C3 126.9(4) . . . . ?
C8 P1 C2 C3 -112.8(4) . . . . ?
U1 P1 C2 C3 67.4(4) . . . . ?
N1 P1 C2 C7 -166.5(3) . . . . ?
C1 P1 C2 C7 -50.3(4) . . . . ?
C8 P1 C2 C7 70.0(4) . . . . ?
U1 P1 C2 C7 -109.8(3) . . . . ?
C7 C2 C3 C4 0.4(6) . . . . ?
P1 C2 C3 C4 -176.8(4) . . . . ?
C2 C3 C4 C5 -1.1(7) . . . . ?
C3 C4 C5 C6 0.1(7) . . . . ?
C4 C5 C6 C7 1.6(7) . . . . ?
C5 C6 C7 C2 -2.4(7) . . . . ?
C3 C2 C7 C6 1.4(7) . . . . ?
P1 C2 C7 C6 178.7(4) . . . . ?
N1 P1 C8 C9 -134.0(4) . . . . ?
C1 P1 C8 C9 105.5(4) . . . . ?
C2 P1 C8 C9 -9.6(4) . . . . ?
U1 P1 C8 C9 170.2(3) . . . . ?
N1 P1 C8 C13 44.4(4) . . . . ?
C1 P1 C8 C13 -76.1(4) . . . . ?
C2 P1 C8 C13 168.8(3) . . . . ?
U1 P1 C8 C13 -11.4(4) . . . . ?
C13 C8 C9 C10 -0.7(7) . . . . ?
P1 C8 C9 C10 177.7(4) . . . . ?
C8 C9 C10 C11 0.8(7) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C10 C11 C12 C13 -0.6(7) . . . . ?
C11 C12 C13 C8 0.7(7) . . . . ?
C9 C8 C13 C12 0.0(6) . . . . ?
P1 C8 C13 C12 -178.5(3) . . . . ?
N2 P2 C14 C19 0.7(4) . . . . ?
C1 P2 C14 C19 121.4(4) . . . . ?
C20 P2 C14 C19 -123.0(4) . . . . ?
U1 P2 C14 C19 57.6(4) . . . . ?
N2 P2 C14 C15 -177.2(3) . . . . ?
C1 P2 C14 C15 -56.5(4) . . . . ?
C20 P2 C14 C15 59.1(4) . . . . ?
U1 P2 C14 C15 -120.3(3) . . . . ?
C19 C14 C15 C16 1.9(7) . . . . ?
P2 C14 C15 C16 179.8(3) . . . . ?
C14 C15 C16 C17 0.6(7) . . . . ?
C15 C16 C17 C18 -2.2(7) . . . . ?
C16 C17 C18 C19 1.3(7) . . . . ?
C17 C18 C19 C14 1.2(7) . . . . ?
C15 C14 C19 C18 -2.8(7) . . . . ?
P2 C14 C19 C18 179.3(4) . . . . ?
N2 P2 C20 C21 -127.6(4) . . . . ?
C1 P2 C20 C21 116.1(4) . . . . ?
C14 P2 C20 C21 -3.0(5) . . . . ?
U1 P2 C20 C21 176.2(3) . . . . ?
N2 P2 C20 C25 53.7(4) . . . . ?
C1 P2 C20 C25 -62.6(4) . . . . ?
C14 P2 C20 C25 178.3(3) . . . . ?
U1 P2 C20 C25 -2.5(5) . . . . ?
C25 C20 C21 C22 1.2(7) . . . . ?
P2 C20 C21 C22 -177.5(4) . . . . ?
C20 C21 C22 C23 0.2(8) . . . . ?
C21 C22 C23 C24 -1.3(8) . . . . ?
C22 C23 C24 C25 0.9(8) . . . . ?
C23 C24 C25 C20 0.6(7) . . . . ?
C21 C20 C25 C24 -1.6(7) . . . . ?
P2 C20 C25 C24 177.1(4) . . . . ?
O3 C32 C33 C34 25.8(5) . . . . ?
C32 C33 C34 C35 0.1(5) . . . . ?
C33 C34 C35 O3 -25.7(5) . . . . ?
C33 C32 O3 C35 -43.0(4) . . . . ?
C33 C32 O3 U1 174.2(3) . . . . ?
C34 C35 O3 C32 42.9(4) . . . . ?
C34 C35 O3 U1 -175.2(3) . . . . ?
O1 U1 O3 C32 -17.5(3) . . . . ?
O2 U1 O3 C32 164.3(3) . . . . ?
N1 U1 O3 C32 85.7(4) . . . . ?
N2 U1 O3 C32 -111.4(3) . . . . ?
Cl1 U1 O3 C32 72.1(3) . . . . ?
C1 U1 O3 C32 -88.2(3) . . . . ?
P2 U1 O3 C32 -108.2(3) . . . . ?
P1 U1 O3 C32 -111.6(6) . . . . ?
O1 U1 O3 C35 -153.2(3) . . . . ?
O2 U1 O3 C35 28.6(3) . . . . ?
N1 U1 O3 C35 -50.0(4) . . . . ?
N2 U1 O3 C35 112.9(3) . . . . ?
Cl1 U1 O3 C35 -63.6(3) . . . . ?
C1 U1 O3 C35 136.1(3) . . . . ?
P2 U1 O3 C35 116.1(3) . . . . ?
P1 U1 O3 C35 112.8(6) . . . . ?
O4 U2 O6 C75 162.9(3) . . . . ?
O5 U2 O6 C75 -19.4(3) . . . . ?
N3 U2 O6 C75 -111.7(3) . . . . ?
N4 U2 O6 C75 87.5(4) . . . . ?
Cl2 U2 O6 C75 69.5(3) . . . . ?
C40 U2 O6 C75 -90.6(3) . . . . ?
P3 U2 O6 C75 -109.0(3) . . . . ?
O4 U2 O6 C78 27.5(3) . . . . ?
O5 U2 O6 C78 -154.8(3) . . . . ?
N3 U2 O6 C78 112.9(3) . . . . ?
N4 U2 O6 C78 -47.9(4) . . . . ?
Cl2 U2 O6 C78 -65.9(3) . . . . ?
C40 U2 O6 C78 134.0(3) . . . . ?
P3 U2 O6 C78 115.6(3) . . . . ?
O4 U2 N3 P3 -96.21(17) . . . . ?
O5 U2 N3 P3 88.51(17) . . . . ?
O6 U2 N3 P3 174.95(17) . . . . ?
N4 U2 N3 P3 -13.9(2) . . . . ?
Cl2 U2 N3 P3 177.97(10) . . . . ?
C40 U2 N3 P3 9.27(15) . . . . ?
O4 U2 N3 Si3 88.3(3) . . . . ?
O5 U2 N3 Si3 -87.0(2) . . . . ?
O6 U2 N3 Si3 -0.5(2) . . . . ?
N4 U2 N3 Si3 170.6(2) . . . . ?
Cl2 U2 N3 Si3 2.5(4) . . . . ?
C40 U2 N3 Si3 -166.2(3) . . . . ?
P3 U2 N3 Si3 -175.5(4) . . . . ?
O4 U2 N4 P4 96.97(17) . . . . ?
O5 U2 N4 P4 -82.92(17) . . . . ?
O6 U2 N4 P4 172.92(17) . . . . ?
N3 U2 N4 P4 14.8(2) . . . . ?
Cl2 U2 N4 P4 -169.55(15) . . . . ?
C40 U2 N4 P4 -8.37(14) . . . . ?
P3 U2 N4 P4 8.01(14) . . . . ?
O4 U2 N4 Si4 -59.3(2) . . . . ?
O5 U2 N4 Si4 120.8(2) . . . . ?
O6 U2 N4 Si4 16.7(4) . . . . ?
N3 U2 N4 Si4 -141.49(19) . . . . ?
Cl2 U2 N4 Si4 34.19(18) . . . . ?
C40 U2 N4 Si4 -164.6(3) . . . . ?
P3 U2 N4 Si4 -148.25(19) . . . . ?
O4 U2 C40 P3 69.86(19) . . . . ?
O5 U2 C40 P3 -105.31(19) . . . . ?
O6 U2 C40 P3 -32.4(3) . . . . ?
N3 U2 C40 P3 -8.44(14) . . . . ?
N4 U2 C40 P3 148.4(2) . . . . ?
Cl2 U2 C40 P3 177.85(7) . . . . ?
O4 U2 C40 P4 -70.98(18) . . . . ?
O5 U2 C40 P4 113.85(18) . . . . ?
O6 U2 C40 P4 -173.29(12) . . . . ?
N3 U2 C40 P4 -149.3(2) . . . . ?
N4 U2 C40 P4 7.59(13) . . . . ?
Cl2 U2 C40 P4 37.0(2) . . . . ?
P3 U2 C40 P4 -140.8(3) . . . . ?
Si3 N3 P3 C40 162.3(3) . . . . ?
U2 N3 P3 C40 -13.4(2) . . . . ?
Si3 N3 P3 C53 -74.0(3) . . . . ?
U2 N3 P3 C53 110.27(18) . . . . ?
Si3 N3 P3 C59 47.0(3) . . . . ?
U2 N3 P3 C59 -128.73(16) . . . . ?
Si3 N3 P3 U2 175.7(3) . . . . ?
P4 C40 P3 N3 102.2(4) . . . . ?
U2 C40 P3 N3 12.3(2) . . . . ?
P4 C40 P3 C53 -22.1(5) . . . . ?
U2 C40 P3 C53 -111.97(19) . . . . ?
P4 C40 P3 C59 -139.8(4) . . . . ?
U2 C40 P3 C59 130.26(16) . . . . ?
P4 C40 P3 U2 89.9(4) . . . . ?
O4 U2 P3 N3 82.31(19) . . . . ?
O5 U2 P3 N3 -92.22(19) . . . . ?
O6 U2 P3 N3 -5.48(18) . . . . ?
N4 U2 P3 N3 167.85(18) . . . . ?
Cl2 U2 P3 N3 -174.8(3) . . . . ?
C40 U2 P3 N3 -164.8(2) . . . . ?
O4 U2 P3 C40 -112.9(2) . . . . ?
O5 U2 P3 C40 72.6(2) . . . . ?
O6 U2 P3 C40 159.31(19) . . . . ?
N3 U2 P3 C40 164.8(2) . . . . ?
N4 U2 P3 C40 -27.4(2) . . . . ?
Cl2 U2 P3 C40 -10.0(3) . . . . ?
O4 U2 P3 C53 -14.40(19) . . . . ?
O5 U2 P3 C53 171.07(19) . . . . ?
O6 U2 P3 C53 -102.18(18) . . . . ?
N3 U2 P3 C53 -96.7(2) . . . . ?
N4 U2 P3 C53 71.14(18) . . . . ?
Cl2 U2 P3 C53 88.5(3) . . . . ?
C40 U2 P3 C53 98.5(2) . . . . ?
O4 U2 P3 C59 164.5(2) . . . . ?
O5 U2 P3 C59 -10.0(2) . . . . ?
O6 U2 P3 C59 76.7(2) . . . . ?
N3 U2 P3 C59 82.2(2) . . . . ?
N4 U2 P3 C59 -109.9(2) . . . . ?
Cl2 U2 P3 C59 -92.5(3) . . . . ?
C40 U2 P3 C59 -82.6(3) . . . . ?
Si4 N4 P4 C40 167.8(3) . . . . ?
U2 N4 P4 C40 12.1(2) . . . . ?
Si4 N4 P4 C41 -75.8(3) . . . . ?
U2 N4 P4 C41 128.43(17) . . . . ?
Si4 N4 P4 C47 44.6(3) . . . . ?
U2 N4 P4 C47 -111.15(18) . . . . ?
P3 C40 P4 N4 -100.9(4) . . . . ?
U2 C40 P4 N4 -11.08(19) . . . . ?
P3 C40 P4 C41 138.6(4) . . . . ?
U2 C40 P4 C41 -131.55(16) . . . . ?
P3 C40 P4 C47 22.8(5) . . . . ?
U2 C40 P4 C47 112.66(19) . . . . ?
P3 N3 Si3 C66 126.5(3) . . . . ?
U2 N3 Si3 C66 -59.2(3) . . . . ?
P3 N3 Si3 C65 -113.2(3) . . . . ?
U2 N3 Si3 C65 61.2(3) . . . . ?
P3 N3 Si3 C67 4.9(4) . . . . ?
U2 N3 Si3 C67 179.2(2) . . . . ?
P4 N4 Si4 C70 -114.3(3) . . . . ?
U2 N4 Si4 C70 35.4(3) . . . . ?
P4 N4 Si4 C69 123.1(3) . . . . ?
U2 N4 Si4 C69 -87.3(2) . . . . ?
P4 N4 Si4 C68 3.3(3) . . . . ?
U2 N4 Si4 C68 152.9(2) . . . . ?
N4 P4 C41 C42 11.3(4) . . . . ?
C40 P4 C41 C42 128.1(4) . . . . ?
C47 P4 C41 C42 -112.6(4) . . . . ?
N4 P4 C41 C46 -166.3(3) . . . . ?
C40 P4 C41 C46 -49.4(4) . . . . ?
C47 P4 C41 C46 69.8(4) . . . . ?
C46 C41 C42 C43 -0.9(6) . . . . ?
P4 C41 C42 C43 -178.5(3) . . . . ?
C41 C42 C43 C44 -0.8(7) . . . . ?
C42 C43 C44 C45 1.4(7) . . . . ?
C43 C44 C45 C46 -0.1(7) . . . . ?
C44 C45 C46 C41 -1.7(7) . . . . ?
C42 C41 C46 C45 2.2(6) . . . . ?
P4 C41 C46 C45 179.8(3) . . . . ?
N4 P4 C47 C48 -133.3(4) . . . . ?
C40 P4 C47 C48 106.1(4) . . . . ?
C41 P4 C47 C48 -9.5(4) . . . . ?
N4 P4 C47 C52 45.2(4) . . . . ?
C40 P4 C47 C52 -75.4(4) . . . . ?
C41 P4 C47 C52 169.0(3) . . . . ?
C52 C47 C48 C49 0.1(7) . . . . ?
P4 C47 C48 C49 178.6(4) . . . . ?
C47 C48 C49 C50 0.1(8) . . . . ?
C48 C49 C50 C51 0.2(8) . . . . ?
C49 C50 C51 C52 -0.8(7) . . . . ?
C50 C51 C52 C47 1.0(7) . . . . ?
C48 C47 C52 C51 -0.7(7) . . . . ?
P4 C47 C52 C51 -179.3(3) . . . . ?
N3 P3 C53 C58 3.1(4) . . . . ?
C40 P3 C53 C58 124.0(4) . . . . ?
C59 P3 C53 C58 -119.2(4) . . . . ?
U2 P3 C53 C58 59.9(4) . . . . ?
N3 P3 C53 C54 -177.4(4) . . . . ?
C40 P3 C53 C54 -56.5(4) . . . . ?
C59 P3 C53 C54 60.3(4) . . . . ?
U2 P3 C53 C54 -120.6(4) . . . . ?
C58 C53 C54 C55 1.7(7) . . . . ?
P3 C53 C54 C55 -177.9(4) . . . . ?
C53 C54 C55 C56 -0.9(7) . . . . ?
C54 C55 C56 C57 -0.4(8) . . . . ?
C55 C56 C57 C58 1.0(8) . . . . ?
C54 C53 C58 C57 -1.2(7) . . . . ?
P3 C53 C58 C57 178.4(4) . . . . ?
C56 C57 C58 C53 -0.2(7) . . . . ?
N3 P3 C59 C60 -133.0(4) . . . . ?
C40 P3 C59 C60 111.3(4) . . . . ?
C53 P3 C59 C60 -9.1(4) . . . . ?
U2 P3 C59 C60 171.9(3) . . . . ?
N3 P3 C59 C64 46.4(4) . . . . ?
C40 P3 C59 C64 -69.4(4) . . . . ?
C53 P3 C59 C64 170.3(3) . . . . ?
U2 P3 C59 C64 -8.7(4) . . . . ?
C64 C59 C60 C61 -0.5(6) . . . . ?
P3 C59 C60 C61 178.8(3) . . . . ?
C59 C60 C61 C62 0.6(7) . . . . ?
C60 C61 C62 C63 -0.4(7) . . . . ?
C61 C62 C63 C64 0.1(7) . . . . ?
C62 C63 C64 C59 -0.1(7) . . . . ?
C60 C59 C64 C63 0.3(6) . . . . ?
P3 C59 C64 C63 -179.1(3) . . . . ?
O8 C71 C72 C73 0.2(7) . . . . ?
C71 C72 C73 C74 -17.3(9) . . . . ?
C72 C73 C74 O8 28.3(8) . . . . ?
C39 O7 C36A C37A -36.1(8) . . . . ?
C36B O7 C36A C37A 39.1(14) . . . . ?
O7 C36A C37A C38 46.5(9) . . . . ?
C36A O7 C36B C37B -72.8(16) . . . . ?
C39 O7 C36B C37B 36.3(16) . . . . ?
O7 C36B C37B C38 -46.3(17) . . . . ?
C36B C37B C38 C37A -50.4(12) . . . . ?
C36B C37B C38 C39 36.4(14) . . . . ?
C36A C37A C38 C37B 63.5(12) . . . . ?
C36A C37A C38 C39 -38.0(8) . . . . ?
C37B C38 C39 O7 -14.3(9) . . . . ?
C37A C38 C39 O7 14.2(7) . . . . ?
C36A O7 C39 C38 13.6(7) . . . . ?
C36B O7 C39 C38 -10.7(9) . . . . ?
C73 C74 O8 C71 -27.7(6) . . . . ?
C72 C71 O8 C74 17.4(6) . . . . ?
C78 O6 C75 C76 -42.9(4) . . . . ?
U2 O6 C75 C76 174.5(3) . . . . ?
O6 C75 C76 C77 27.8(5) . . . . ?
C75 C76 C77 C78 -2.8(5) . . . . ?
C75 O6 C78 C77 41.0(4) . . . . ?
U2 O6 C78 C77 -177.0(3) . . . . ?
C76 C77 C78 O6 -22.8(5) . . . . ?
