#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:01:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180219 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/05/7110587.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7110587
loop_
_publ_author_name
'Boaretto, Rita'
'Roussel, Paul'
'Kingsley, Andrew J.'
'Munslow, Ian J.'
'Sanders, Christopher J.'
'Alcock, Nathaniel W.'
'Scott, Peter'
_publ_section_title
;
 Structure and reactions of a metallacyclic complex containing a
 remarkably long uranium--carbon bond
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1701
_journal_paper_doi               10.1039/a903783g
_journal_year                    1999
_chemical_formula_sum            'C24 H56 N4 Si3 U'
_chemical_formula_weight         723.03
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                119.3350(10)
_cell_angle_beta                 109.0980(10)
_cell_angle_gamma                92.8980(10)
_cell_formula_units_Z            2
_cell_length_a                   12.7602(5)
_cell_length_b                   13.3286(5)
_cell_length_c                   13.3902(5)
_cell_measurement_reflns_used    9181
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      28.51
_cell_measurement_theta_min      1.81
_cell_volume                     1813.56(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.878
_diffrn_measured_fraction_theta_max 0.878
_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  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0755
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11113
_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    4.590
_exptl_absorpt_correction_T_max  0.4604
_exptl_absorpt_correction_T_min  0.2074
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.834
_refine_diff_density_min         -4.478
_refine_diff_density_rms         0.220
_refine_ls_extinction_coef       0.0027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         8070
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0622P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1186
_refine_ls_wR_factor_ref         0.1206
_reflns_number_gt                6567
_reflns_number_total             8070
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            903783gsup1.cif
_cod_data_source_block           uch
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110587
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
U1 U 0.294904(18) 0.28011(2) 0.57337(2) 0.02666(10) Uani 1 1 d .
Si11 Si 0.25735(17) 0.08644(16) 0.64352(18) 0.0337(4) Uani 1 1 d .
Si12 Si 0.25712(15) 0.54327(16) 0.74669(17) 0.0303(4) Uani 1 1 d .
Si13 Si 0.25031(15) 0.17688(17) 0.27505(17) 0.0310(4) Uani 1 1 d .
N11 N 0.3696(5) 0.1764(5) 0.6554(5) 0.0366(13) Uani 1 1 d .
N12 N 0.3639(5) 0.4713(5) 0.7250(5) 0.0375(14) Uani 1 1 d .
N13 N 0.3577(5) 0.2468(5) 0.4235(5) 0.0353(13) Uiso 1 1 d .
N14 N 0.5158(4) 0.3399(5) 0.6639(5) 0.0298(12) Uani 1 1 d .
C101 C 0.5551(6) 0.2363(7) 0.6621(8) 0.0471(19) Uani 1 1 d .
H10A H 0.5429 0.1748 0.5754 0.056 Uiso 1 1 calc R
H10B H 0.6382 0.2619 0.7151 0.056 Uiso 1 1 calc R
C102 C 0.4923(7) 0.1844(8) 0.7087(9) 0.053(2) Uani 1 1 d .
H10C H 0.5036 0.1041 0.6848 0.064 Uiso 1 1 calc R
H10D H 0.5230 0.2349 0.8012 0.064 Uiso 1 1 calc R
C103 C 0.5556(6) 0.4432(7) 0.7924(7) 0.0453(19) Uani 1 1 d .
H10E H 0.6376 0.4808 0.8227 0.054 Uiso 1 1 calc R
H10F H 0.5486 0.4165 0.8477 0.054 Uiso 1 1 calc R
C104 C 0.4876(6) 0.5330(7) 0.7996(8) 0.053(2) Uani 1 1 d .
H10G H 0.5011 0.5902 0.8880 0.064 Uiso 1 1 calc R
H10H H 0.5122 0.5778 0.7668 0.064 Uiso 1 1 calc R
C105 C 0.5480(6) 0.3701(8) 0.5845(7) 0.048(2) Uani 1 1 d .
H10I H 0.6305 0.3750 0.6033 0.058 Uiso 1 1 calc R
H10J H 0.5353 0.4489 0.6029 0.058 Uiso 1 1 calc R
C106 C 0.4782(6) 0.2779(9) 0.4485(7) 0.055(2) Uani 1 1 d .
H10K H 0.4865 0.3090 0.3970 0.066 Uiso 1 1 calc R
H10L H 0.5075 0.2057 0.4243 0.066 Uiso 1 1 calc R
C107 C 0.2670(9) -0.0720(7) 0.5657(8) 0.060(2) Uani 1 1 d .
H10M H 0.2048 -0.1215 0.5622 0.091 Uiso 1 1 calc R
H10N H 0.3411 -0.0768 0.6138 0.091 Uiso 1 1 calc R
H10O H 0.2601 -0.1004 0.4806 0.091 Uiso 1 1 calc R
C108 C 0.1335(8) 0.1126(9) 0.5454(8) 0.067(3) Uani 1 1 d .
H10P H 0.0799 0.1457 0.5847 0.080 Uiso 1 1 calc R
H10Q H 0.0922 0.0437 0.4583 0.080 Uiso 1 1 calc R
C109 C 0.2544(6) 0.1374(6) 0.8019(6) 0.0380(16) Uani 1 1 d .
C110 C 0.3610(8) 0.1226(8) 0.8844(8) 0.060(2) Uani 1 1 d .
H11A H 0.3582 0.1490 0.9657 0.090 Uiso 1 1 calc R
H11B H 0.4303 0.1707 0.8970 0.090 Uiso 1 1 calc R
H11C H 0.3624 0.0386 0.8430 0.090 Uiso 1 1 calc R
C111 C 0.2542(8) 0.2683(7) 0.8669(7) 0.055(2) Uani 1 1 d .
H11D H 0.2530 0.2953 0.9489 0.082 Uiso 1 1 calc R
H11E H 0.1860 0.2786 0.8156 0.082 Uiso 1 1 calc R
H11F H 0.3233 0.3153 0.8779 0.082 Uiso 1 1 calc R
C112 C 0.1474(8) 0.0659(9) 0.7870(8) 0.064(3) Uani 1 1 d .
H11G H 0.1497 0.0906 0.8698 0.096 Uiso 1 1 calc R
H11H H 0.1445 -0.0190 0.7410 0.096 Uiso 1 1 calc R
H11I H 0.0792 0.0802 0.7405 0.096 Uiso 1 1 calc R
C113 C 0.2747(8) 0.6207(7) 0.9135(7) 0.051(2) Uani 1 1 d .
H11J H 0.2122 0.6594 0.9227 0.077 Uiso 1 1 calc R
H11K H 0.3484 0.6808 0.9674 0.077 Uiso 1 1 calc R
H11L H 0.2727 0.5625 0.9379 0.077 Uiso 1 1 calc R
C114 C 0.1213(8) 0.4203(8) 0.6431(9) 0.068(3) Uani 1 1 d .
H11M H 0.0562 0.4528 0.6554 0.102 Uiso 1 1 calc R
H11N H 0.1269 0.3597 0.6644 0.102 Uiso 1 1 calc R
H12L H 0.1098 0.3843 0.5553 0.102 Uiso 1 1 calc R
C115 C 0.2511(6) 0.6539(6) 0.6954(7) 0.0387(16) Uani 1 1 d .
C116 C 0.1444(8) 0.7017(8) 0.6997(9) 0.062(2) Uani 1 1 d .
H11O H 0.1381 0.7538 0.6669 0.093 Uiso 1 1 calc R
H11P H 0.1515 0.7470 0.7864 0.093 Uiso 1 1 calc R
H11Q H 0.0758 0.6349 0.6484 0.093 Uiso 1 1 calc R
C117 C 0.3590(8) 0.7584(7) 0.7810(9) 0.058(2) Uani 1 1 d .
H11R H 0.3569 0.8108 0.7490 0.087 Uiso 1 1 calc R
H11S H 0.4273 0.7277 0.7827 0.087 Uiso 1 1 calc R
H11T H 0.3615 0.8033 0.8660 0.087 Uiso 1 1 calc R
C118 C 0.2438(8) 0.5921(8) 0.5610(8) 0.055(2) Uani 1 1 d .
H11U H 0.2450 0.6504 0.5367 0.083 Uiso 1 1 calc R
H11V H 0.1724 0.5288 0.5039 0.083 Uiso 1 1 calc R
H11W H 0.3094 0.5575 0.5566 0.083 Uiso 1 1 calc R
C119 C 0.1127(6) 0.1850(7) 0.2950(8) 0.0470(19) Uiso 1 1 d .
H11X H 0.0486 0.1465 0.2127 0.071 Uiso 1 1 calc R
H11Y H 0.1127 0.2686 0.3456 0.071 Uiso 1 1 calc R
H11Z H 0.1043 0.1443 0.3372 0.071 Uiso 1 1 calc R
C120 C 0.2614(8) 0.2555(7) 0.1944(8) 0.052(2) Uani 1 1 d .
H12A H 0.1974 0.2152 0.1118 0.079 Uiso 1 1 calc R
H12B H 0.3341 0.2544 0.1843 0.079 Uiso 1 1 calc R
H12C H 0.2585 0.3380 0.2446 0.079 Uiso 1 1 calc R
C121 C 0.2455(6) 0.0137(7) 0.1742(7) 0.0407(17) Uani 1 1 d .
C122 C 0.3510(8) 0.0018(8) 0.1425(9) 0.062(2) Uani 1 1 d .
H12D H 0.3509 -0.0824 0.0966 0.093 Uiso 1 1 calc R
H12E H 0.4208 0.0459 0.2200 0.093 Uiso 1 1 calc R
H12G H 0.3489 0.0345 0.0905 0.093 Uiso 1 1 calc R
C123 C 0.2421(8) -0.0473(7) 0.2461(8) 0.055(2) Uani 1 1 d .
H12F H 0.2497 -0.1286 0.1996 0.082 Uiso 1 1 calc R
H12J H 0.1689 -0.0499 0.2550 0.082 Uiso 1 1 calc R
H12H H 0.3054 -0.0023 0.3292 0.082 Uiso 1 1 calc R
C124 C 0.1381(8) -0.0498(8) 0.0512(7) 0.060(3) Uani 1 1 d .
H12I H 0.1346 -0.1348 0.0036 0.091 Uiso 1 1 calc R
H12M H 0.1413 -0.0156 0.0017 0.091 Uiso 1 1 calc R
H12K H 0.0696 -0.0398 0.0694 0.091 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'
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_publ_flag
N12 U1 N11 107.2(2) y
N12 U1 N13 108.5(2) y
N11 U1 N13 107.7(2) y
N12 U1 N14 69.02(19) y
N11 U1 N14 68.79(19) y
N13 U1 N14 68.96(19) y
N12 U1 C108 127.7(3) y
N11 U1 C108 66.1(2) y
N13 U1 C108 123.1(2) y
N14 U1 C108 134.8(2) y
N12 U1 C114 62.9(2) y
N11 U1 C114 123.8(2) y
N13 U1 C114 128.3(2) y
N14 U1 C114 131.90(19) y
C108 U1 C114 78.3(3) y
N12 U1 Si11 119.16(16) y
N11 U1 Si11 30.93(15) y
N13 U1 Si11 122.78(14) y
N14 U1 Si11 99.68(12) y
C108 U1 Si11 35.45(17) y
C114 U1 Si11 101.66(18) y
N12 U1 Si12 28.94(15) y
N11 U1 Si12 121.46(16) y
N13 U1 Si12 120.14(14) y
N14 U1 Si12 97.92(13) y
C108 U1 Si12 107.4(2) y
C114 U1 Si12 34.14(15) y
Si11 U1 Si12 116.91(5) y
N12 U1 Si13 123.45(17) y
N11 U1 Si13 118.11(16) y
N13 U1 Si13 28.03(14) y
N14 U1 Si13 96.90(12) y
C108 U1 Si13 101.57(18) y
C114 U1 Si13 110.44(18) y
Si11 U1 Si13 117.12(5) y
Si12 U1 Si13 120.04(5) y
N11 Si11 C108 99.6(4) ?
N11 Si11 C107 110.1(4) ?
C108 Si11 C107 113.5(4) ?
N11 Si11 C109 112.1(3) ?
C108 Si11 C109 111.2(4) ?
C107 Si11 C109 109.9(4) ?
N11 Si11 U1 41.35(18) ?
C108 Si11 U1 58.7(3) ?
C107 Si11 U1 129.5(3) ?
C109 Si11 U1 119.3(2) ?
N12 Si12 C113 111.3(3) ?
N12 Si12 C114 104.1(4) ?
C113 Si12 C114 110.1(4) ?
N12 Si12 C115 112.1(3) ?
C113 Si12 C115 109.7(4) ?
C114 Si12 C115 109.3(4) ?
N12 Si12 U1 38.47(19) ?
C113 Si12 U1 128.7(3) ?
C114 Si12 U1 66.0(4) ?
C115 Si12 U1 119.8(2) ?
N13 Si13 C119 106.4(3) ?
N13 Si13 C120 111.8(3) ?
C119 Si13 C120 107.5(4) ?
N13 Si13 C121 112.6(3) ?
C119 Si13 C121 108.0(3) ?
C120 Si13 C121 110.3(4) ?
N13 Si13 U1 37.9(2) ?
C119 Si13 U1 69.4(3) ?
C120 Si13 U1 131.5(3) ?
C121 Si13 U1 116.6(2) ?
C102 N11 Si11 127.3(5) ?
C102 N11 U1 125.0(5) ?
Si11 N11 U1 107.7(3) ?
C104 N12 Si12 122.7(5) ?
C104 N12 U1 124.7(4) ?
Si12 N12 U1 112.6(3) ?
C106 N13 Si13 122.6(5) ?
C106 N13 U1 123.3(5) ?
Si13 N13 U1 114.1(3) ?
C105 N14 C103 111.3(6) ?
C105 N14 C101 112.8(6) ?
C103 N14 C101 111.1(6) ?
C105 N14 U1 107.1(4) ?
C103 N14 U1 107.2(4) ?
C101 N14 U1 106.9(4) ?
C102 C101 N14 111.5(6) ?
N11 C102 C101 110.1(6) ?
N14 C103 C104 111.4(6) ?
N12 C104 C103 109.5(6) ?
N14 C105 C106 110.6(6) ?
N13 C106 C105 111.2(6) ?
Si11 C108 U1 85.8(4) ?
C112 C109 C111 108.8(7) ?
C112 C109 C110 108.9(7) ?
C111 C109 C110 108.8(6) ?
C112 C109 Si11 110.8(5) ?
C111 C109 Si11 109.0(5) ?
C110 C109 Si11 110.4(5) ?
Si12 C114 U1 79.9(4) ?
C117 C115 C118 108.3(7) ?
C117 C115 C116 109.3(7) ?
C118 C115 C116 109.0(7) ?
C117 C115 Si12 110.9(5) ?
C118 C115 Si12 109.8(5) ?
C116 C115 Si12 109.5(6) ?
C124 C121 C122 108.2(7) ?
C124 C121 C123 108.4(7) ?
C122 C121 C123 110.0(7) ?
C124 C121 Si13 111.0(5) ?
C122 C121 Si13 110.3(6) ?
C123 C121 Si13 109.0(5) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
U1 N12 2.219(5) y
U1 N11 2.228(5) y
U1 N13 2.254(6) y
U1 N14 2.577(5) y
U1 C108 2.752(11) y
U1 C114 3.055(12) y
U1 Si11 3.2124(19) ?
U1 Si12 3.2937(19) ?
U1 Si13 3.3500(18) ?
Si11 N11 1.733(6) ?
Si11 C108 1.868(8) ?
Si11 C107 1.874(8) ?
Si11 C109 1.899(7) ?
Si12 N12 1.726(6) ?
Si12 C113 1.869(8) ?
Si12 C114 1.878(8) ?
Si12 C115 1.903(7) ?
Si13 N13 1.724(6) ?
Si13 C119 1.862(8) ?
Si13 C120 1.865(8) ?
Si13 C121 1.901(8) ?
N11 C102 1.465(9) ?
N12 C104 1.482(9) ?
N13 C106 1.453(9) ?
N14 C105 1.466(9) ?
N14 C103 1.467(9) ?
N14 C101 1.484(9) ?
C101 C102 1.484(12) ?
C103 C104 1.497(10) ?
C105 C106 1.502(11) ?
C109 C112 1.521(11) ?
C109 C111 1.522(10) ?
C109 C110 1.538(10) ?
C115 C117 1.535(11) ?
C115 C118 1.535(10) ?
C115 C116 1.538(10) ?
C121 C124 1.532(10) ?
C121 C122 1.533(11) ?
C121 C123 1.543(11) ?
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_publ_flag
N12 U1 Si11 N11 -74.2(4) y
N13 U1 Si11 N11 68.3(4) y
N14 U1 Si11 N11 -2.9(3) y
C108 U1 Si11 N11 170.8(5) y
C114 U1 Si11 N11 -139.5(3) y
Si12 U1 Si11 N11 -107.0(3) y
Si13 U1 Si11 N11 100.1(3) y
N12 U1 Si11 C108 115.1(4) y
N11 U1 Si11 C108 -170.8(5) y
N13 U1 Si11 C108 -102.5(4) y
N14 U1 Si11 C108 -173.6(4) y
C114 U1 Si11 C108 49.7(4) y
Si12 U1 Si11 C108 82.3(4) y
Si13 U1 Si11 C108 -70.7(4) y
N12 U1 Si11 C107 -148.9(4) y
N11 U1 Si11 C107 -74.8(5) y
N13 U1 Si11 C107 -6.5(4) y
N14 U1 Si11 C107 -77.6(4) y
C108 U1 Si11 C107 96.0(5) y
C114 U1 Si11 C107 145.7(4) y
Si12 U1 Si11 C107 178.3(4) y
Si13 U1 Si11 C107 25.3(4) y
N12 U1 Si11 C109 16.8(3) y
N11 U1 Si11 C109 91.0(4) y
N13 U1 Si11 C109 159.2(3) y
N14 U1 Si11 C109 88.1(3) y
C108 U1 Si11 C109 -98.3(4) y
C114 U1 Si11 C109 -48.5(3) y
Si12 U1 Si11 C109 -16.0(3) y
Si13 U1 Si11 C109 -169.0(3) y
N11 U1 Si12 N12 67.0(4) y
N13 U1 Si12 N12 -73.2(4) y
N14 U1 Si12 N12 -2.9(4) y
C108 U1 Si12 N12 139.2(4) y
C114 U1 Si12 N12 172.0(5) y
Si11 U1 Si12 N12 102.2(3) y
Si13 U1 Si12 N12 -105.7(3) y
N12 U1 Si12 C113 -74.9(5) y
N11 U1 Si12 C113 -7.9(4) y
N13 U1 Si12 C113 -148.0(4) y
N14 U1 Si12 C113 -77.8(4) y
C108 U1 Si12 C113 64.4(4) y
C114 U1 Si12 C113 97.2(5) y
Si11 U1 Si12 C113 27.3(4) y
Si13 U1 Si12 C113 179.5(4) y
N12 U1 Si12 C114 -172.0(5) y
N11 U1 Si12 C114 -105.0(4) y
N13 U1 Si12 C114 114.8(4) y
N14 U1 Si12 C114 -175.0(3) y
C108 U1 Si12 C114 -32.8(4) y
Si11 U1 Si12 C114 -69.8(3) y
Si13 U1 Si12 C114 82.3(3) y
N12 U1 Si12 C115 88.7(4) y
N11 U1 Si12 C115 155.7(3) y
N13 U1 Si12 C115 15.5(3) y
N14 U1 Si12 C115 85.7(3) y
C108 U1 Si12 C115 -132.1(3) y
C114 U1 Si12 C115 -99.3(4) y
Si11 U1 Si12 C115 -169.1(3) y
Si13 U1 Si12 C115 -17.0(3) y
N12 U1 Si13 N13 64.6(4) y
N11 U1 Si13 N13 -74.4(3) y
N14 U1 Si13 N13 -4.8(3) y
C108 U1 Si13 N13 -143.4(4) y
C114 U1 Si13 N13 134.9(3) y
Si11 U1 Si13 N13 -109.4(3) y
Si12 U1 Si13 N13 98.5(3) y
N12 U1 Si13 C119 -101.8(3) y
N11 U1 Si13 C119 119.3(3) y
N13 U1 Si13 C119 -166.3(4) y
N14 U1 Si13 C119 -171.1(3) y
C108 U1 Si13 C119 50.3(3) y
C114 U1 Si13 C119 -31.4(3) y
Si11 U1 Si13 C119 84.3(3) y
Si12 U1 Si13 C119 -67.8(3) y
N12 U1 Si13 C120 -6.2(4) y
N11 U1 Si13 C120 -145.2(4) y
N13 U1 Si13 C120 -70.8(5) y
N14 U1 Si13 C120 -75.6(4) y
C108 U1 Si13 C120 145.9(4) y
C114 U1 Si13 C120 64.2(4) y
Si11 U1 Si13 C120 179.8(4) y
Si12 U1 Si13 C120 27.8(4) y
N12 U1 Si13 C121 157.8(3) y
N11 U1 Si13 C121 18.8(3) y
N13 U1 Si13 C121 93.2(4) y
N14 U1 Si13 C121 88.4(3) y
C108 U1 Si13 C121 -50.2(3) y
C114 U1 Si13 C121 -131.9(3) y
Si11 U1 Si13 C121 -16.2(3) y
Si12 U1 Si13 C121 -168.3(3) y
C108 Si11 N11 C102 -171.7(7) ?
C107 Si11 N11 C102 -52.2(8) ?
C109 Si11 N11 C102 70.6(7) ?
U1 Si11 N11 C102 -179.7(8) ?
C108 Si11 N11 U1 8.0(4) ?
C107 Si11 N11 U1 127.6(4) ?
C109 Si11 N11 U1 -109.7(3) ?
N12 U1 N11 C102 -61.8(6) ?
N13 U1 N11 C102 54.8(6) ?
N14 U1 N11 C102 -3.3(6) ?
C108 U1 N11 C102 173.9(7) ?
C114 U1 N11 C102 -130.3(6) ?
Si11 U1 N11 C102 179.8(8) ?
Si12 U1 N11 C102 -89.6(6) ?
Si13 U1 N11 C102 83.2(6) ?
N12 U1 N11 Si11 118.4(3) ?
N13 U1 N11 Si11 -124.9(3) ?
N14 U1 N11 Si11 177.0(4) ?
C108 U1 N11 Si11 -5.8(3) ?
C114 U1 N11 Si11 49.9(4) ?
Si12 U1 N11 Si11 90.6(3) ?
Si13 U1 N11 Si11 -96.5(3) ?
C113 Si12 N12 C104 -54.7(7) ?
C114 Si12 N12 C104 -173.3(7) ?
C115 Si12 N12 C104 68.7(7) ?
U1 Si12 N12 C104 179.2(8) ?
C113 Si12 N12 U1 126.1(4) ?
C114 Si12 N12 U1 7.5(5) ?
C115 Si12 N12 U1 -110.6(3) ?
N11 U1 N12 C104 56.1(7) ?
N13 U1 N12 C104 -60.0(7) ?
N14 U1 N12 C104 -2.3(6) ?
C108 U1 N12 C104 128.8(6) ?
C114 U1 N12 C104 175.8(7) ?
Si11 U1 N12 C104 87.2(6) ?
Si12 U1 N12 C104 -179.2(8) ?
Si13 U1 N12 C104 -86.6(6) ?
N11 U1 N12 Si12 -124.7(3) ?
N13 U1 N12 Si12 119.2(3) ?
N14 U1 N12 Si12 176.9(4) ?
C108 U1 N12 Si12 -51.9(4) ?
C114 U1 N12 Si12 -5.0(3) ?
Si11 U1 N12 Si12 -93.5(3) ?
Si13 U1 N12 Si12 92.6(3) ?
C119 Si13 N13 C106 -168.4(6) ?
C120 Si13 N13 C106 -51.3(7) ?
C121 Si13 N13 C106 73.5(7) ?
U1 Si13 N13 C106 178.3(8) ?
C119 Si13 N13 U1 13.3(4) ?
C120 Si13 N13 U1 130.4(4) ?
C121 Si13 N13 U1 -104.8(4) ?
N12 U1 N13 C106 54.3(6) ?
N11 U1 N13 C106 -61.4(6) ?
N14 U1 N13 C106 -3.4(6) ?
C108 U1 N13 C106 -134.0(6) ?
C114 U1 N13 C106 124.0(6) ?
Si11 U1 N13 C106 -91.5(6) ?
Si12 U1 N13 C106 83.6(6) ?
Si13 U1 N13 C106 -178.3(8) ?
N12 U1 N13 Si13 -127.4(3) ?
N11 U1 N13 Si13 116.9(3) ?
N14 U1 N13 Si13 174.9(3) ?
C108 U1 N13 Si13 44.2(4) ?
C114 U1 N13 Si13 -57.7(4) ?
Si11 U1 N13 Si13 86.8(3) ?
Si12 U1 N13 Si13 -98.1(3) ?
N12 U1 N14 C105 -94.4(5) ?
N11 U1 N14 C105 146.4(5) ?
N13 U1 N14 C105 26.4(5) ?
C108 U1 N14 C105 142.7(5) ?
C114 U1 N14 C105 -96.7(5) ?
Si11 U1 N14 C105 147.9(5) ?
Si12 U1 N14 C105 -92.9(5) ?
Si13 U1 N14 C105 28.8(5) ?
N12 U1 N14 C103 25.2(4) ?
N11 U1 N14 C103 -94.0(5) ?
N13 U1 N14 C103 146.0(5) ?
C108 U1 N14 C103 -97.7(5) ?
C114 U1 N14 C103 22.9(6) ?
Si11 U1 N14 C103 -92.5(4) ?
Si12 U1 N14 C103 26.7(4) ?
Si13 U1 N14 C103 148.4(4) ?
N12 U1 N14 C101 144.5(5) ?
N11 U1 N14 C101 25.2(5) ?
N13 U1 N14 C101 -94.7(5) ?
C108 U1 N14 C101 21.6(6) ?
C114 U1 N14 C101 142.2(5) ?
Si11 U1 N14 C101 26.8(5) ?
Si12 U1 N14 C101 146.0(4) ?
Si13 U1 N14 C101 -92.3(4) ?
C105 N14 C101 C102 -162.2(6) ?
C103 N14 C101 C102 72.0(8) ?
U1 N14 C101 C102 -44.7(7) ?
Si11 N11 C102 C101 160.0(6) ?
U1 N11 C102 C101 -19.7(10) ?
N14 C101 C102 N11 43.5(9) ?
C105 N14 C103 C104 71.8(8) ?
C101 N14 C103 C104 -161.6(7) ?
U1 N14 C103 C104 -45.1(7) ?
Si12 N12 C104 C103 160.1(6) ?
U1 N12 C104 C103 -20.8(10) ?
N14 C103 C104 N12 44.3(10) ?
C103 N14 C105 C106 -162.8(6) ?
C101 N14 C105 C106 71.5(8) ?
U1 N14 C105 C106 -45.9(7) ?
Si13 N13 C106 C105 161.7(6) ?
U1 N13 C106 C105 -20.2(10) ?
N14 C105 C106 N13 45.0(10) ?
N11 Si11 C108 U1 -6.2(3) ?
C107 Si11 C108 U1 -123.2(4) ?
C109 Si11 C108 U1 112.2(3) ?
N12 U1 C108 Si11 -88.6(4) ?
N11 U1 C108 Si11 5.2(3) ?
N13 U1 C108 Si11 101.4(3) ?
N14 U1 C108 Si11 8.9(5) ?
C114 U1 C108 Si11 -130.3(4) ?
Si12 U1 C108 Si11 -112.2(3) ?
Si13 U1 C108 Si11 121.0(3) ?
N11 Si11 C109 C112 173.4(6) ?
C108 Si11 C109 C112 62.8(7) ?
C107 Si11 C109 C112 -63.8(7) ?
U1 Si11 C109 C112 127.9(5) ?
N11 Si11 C109 C111 53.6(6) ?
C108 Si11 C109 C111 -56.9(7) ?
C107 Si11 C109 C111 176.5(6) ?
U1 Si11 C109 C111 8.2(6) ?
N11 Si11 C109 C110 -65.8(6) ?
C108 Si11 C109 C110 -176.4(6) ?
C107 Si11 C109 C110 57.0(7) ?
U1 Si11 C109 C110 -111.3(5) ?
N12 Si12 C114 U1 -5.1(3) ?
C113 Si12 C114 U1 -124.5(3) ?
C115 Si12 C114 U1 114.9(3) ?
N12 U1 C114 Si12 4.3(3) ?
N11 U1 C114 Si12 97.6(3) ?
N13 U1 C114 Si12 -88.6(3) ?
N14 U1 C114 Si12 6.7(5) ?
C108 U1 C114 Si12 148.1(3) ?
Si11 U1 C114 Si12 121.3(3) ?
Si13 U1 C114 Si12 -113.7(2) ?
N12 Si12 C115 C117 -67.2(6) ?
C113 Si12 C115 C117 57.1(7) ?
C114 Si12 C115 C117 177.9(6) ?
U1 Si12 C115 C117 -109.3(5) ?
N12 Si12 C115 C118 52.4(6) ?
C113 Si12 C115 C118 176.7(6) ?
C114 Si12 C115 C118 -62.5(7) ?
U1 Si12 C115 C118 10.3(6) ?
N12 Si12 C115 C116 172.1(5) ?
C113 Si12 C115 C116 -63.6(6) ?
C114 Si12 C115 C116 57.2(7) ?
U1 Si12 C115 C116 130.0(5) ?
N13 Si13 C121 C124 171.0(6) ?
C119 Si13 C121 C124 53.8(7) ?
C120 Si13 C121 C124 -63.4(7) ?
U1 Si13 C121 C124 129.4(6) ?
N13 Si13 C121 C122 -69.1(6) ?
C119 Si13 C121 C122 173.7(6) ?
C120 Si13 C121 C122 56.5(7) ?
U1 Si13 C121 C122 -110.8(5) ?
N13 Si13 C121 C123 51.7(6) ?
C119 Si13 C121 C123 -65.4(6) ?
C120 Si13 C121 C123 177.4(6) ?
U1 Si13 C121 C123 10.1(6) ?
