#------------------------------------------------------------------------------
#$Date: 2016-03-27 05:05:50 +0300 (Sun, 27 Mar 2016) $
#$Revision: 180535 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/04/4060417.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_4060417
loop_
_publ_author_name
'Panda, Tarun K.'
'Zulys, Agustino'
'Gamer, Michael T.'
'Roesky, Peter W.'
_publ_section_title
;
 Cyclooctatetraene Complexes of Yttrium and the Lanthanides with
 Bis(phosphinimino)methanides: Synthesis, Structure, and
 Hydroamination/Cyclization Catalysis
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2197
_journal_page_last               2202
_journal_paper_doi               10.1021/om0491138
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C41.5 H52 N2 P2 Si2 Y'
_chemical_formula_weight         785.88
_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                93.146(4)
_cell_angle_beta                 92.938(4)
_cell_angle_gamma                98.530(4)
_cell_formula_units_Z            2
_cell_length_a                   9.4016(17)
_cell_length_b                   9.5304(16)
_cell_length_c                   22.771(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2011.1(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL''
_computing_molecular_graphics    'Diamond 2.1a '
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       'area detector'
_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  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            25111
_diffrn_reflns_theta_full        30.52
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         0.90
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    1.620
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.795879
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             824
_exptl_crystal_size_max          .58
_exptl_crystal_size_mid          .36
_exptl_crystal_size_min          .1
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         12116
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0534P)²+0.4061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                10132
_reflns_number_total             12116
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0491138si20041116_113831.cif
_cod_data_source_block           1a
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C41.50 H52 N2 P2 Si2 Y'
_cod_database_code               4060417
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.536698(16) 0.781580(17) 0.743874(7) 0.02018(5) Uani 1 1 d . . .
P1 P 0.77196(4) 0.88677(4) 0.659539(18) 0.01845(8) Uani 1 1 d . . .
P2 P 0.83060(4) 0.95561(4) 0.794163(18) 0.01820(8) Uani 1 1 d . . .
Si1 Si 0.51121(6) 1.04750(6) 0.63883(2) 0.02661(11) Uani 1 1 d . . .
Si2 Si 0.61705(5) 1.03727(6) 0.87687(2) 0.02512(10) Uani 1 1 d . . .
N1 N 0.61263(15) 0.92362(15) 0.66319(6) 0.0218(3) Uani 1 1 d . . .
N2 N 0.66760(14) 0.96187(15) 0.81126(6) 0.0191(3) Uani 1 1 d . . .
C1 C 0.5242(2) 0.5109(2) 0.72394(12) 0.0438(6) Uani 1 1 d . . .
H1 H 0.5931 0.4543 0.7110 0.053 Uiso 1 1 calc R . .
C2 C 0.4397(3) 0.5511(2) 0.67709(10) 0.0428(5) Uani 1 1 d . . .
H2 H 0.4598 0.5093 0.6402 0.051 Uiso 1 1 calc R . .
C3 C 0.3327(3) 0.6380(2) 0.67174(11) 0.0456(6) Uani 1 1 d . . .
H3 H 0.2959 0.6397 0.6322 0.055 Uiso 1 1 calc R . .
C4 C 0.2672(2) 0.7230(2) 0.71083(13) 0.0481(6) Uani 1 1 d . . .
H4 H 0.2038 0.7767 0.6913 0.058 Uiso 1 1 calc R . .
C5 C 0.2739(2) 0.7474(2) 0.77314(14) 0.0501(7) Uani 1 1 d . . .
H5 H 0.2129 0.8127 0.7859 0.060 Uiso 1 1 calc R . .
C6 C 0.3500(3) 0.6971(3) 0.81973(11) 0.0489(6) Uani 1 1 d . . .
H6 H 0.3232 0.7307 0.8570 0.059 Uiso 1 1 calc R . .
C7 C 0.4560(3) 0.6091(3) 0.82492(11) 0.0500(6) Uani 1 1 d . . .
H7 H 0.4838 0.5971 0.8648 0.060 Uiso 1 1 calc R . .
C8 C 0.5311(3) 0.5344(2) 0.78514(12) 0.0459(6) Uani 1 1 d . . .
H8 H 0.6029 0.4897 0.8042 0.055 Uiso 1 1 calc R . .
C9 C 0.82895(17) 0.84649(17) 0.72960(7) 0.0188(3) Uani 1 1 d . . .
H9 H 0.8859 0.7660 0.7317 0.023 Uiso 1 1 calc R . .
C10 C 0.78065(18) 0.72718(18) 0.61287(8) 0.0231(3) Uani 1 1 d . . .
C11 C 0.8976(2) 0.6535(2) 0.61861(9) 0.0351(4) Uani 1 1 d . . .
H11 H 0.9712 0.6841 0.6487 0.042 Uiso 1 1 calc R . .
C12 C 0.9083(3) 0.5364(2) 0.58113(11) 0.0480(6) Uani 1 1 d . . .
H12 H 0.9877 0.4861 0.5860 0.058 Uiso 1 1 calc R . .
C13 C 0.8035(3) 0.4932(2) 0.53680(11) 0.0472(6) Uani 1 1 d . . .
H13 H 0.8108 0.4132 0.5110 0.057 Uiso 1 1 calc R . .
C14 C 0.6884(3) 0.5653(3) 0.52967(10) 0.0467(6) Uani 1 1 d . . .
H14 H 0.6173 0.5359 0.4985 0.056 Uiso 1 1 calc R . .
C15 C 0.6753(2) 0.6815(2) 0.56798(9) 0.0352(4) Uani 1 1 d . . .
H15 H 0.5942 0.7295 0.5634 0.042 Uiso 1 1 calc R . .
C16 C 0.88893(18) 1.01652(18) 0.62080(8) 0.0223(3) Uani 1 1 d . . .
C17 C 0.8511(2) 1.0343(2) 0.56191(8) 0.0316(4) Uani 1 1 d . . .
H17 H 0.7671 0.9788 0.5432 0.038 Uiso 1 1 calc R . .
C18 C 0.9352(2) 1.1326(2) 0.53048(9) 0.0372(5) Uani 1 1 d . . .
H18 H 0.9089 1.1438 0.4904 0.045 Uiso 1 1 calc R . .
C19 C 1.0566(2) 1.2136(2) 0.55738(10) 0.0368(5) Uani 1 1 d . . .
H19 H 1.1132 1.2817 0.5359 0.044 Uiso 1 1 calc R . .
C20 C 1.0963(2) 1.1966(2) 0.61517(11) 0.0393(5) Uani 1 1 d . . .
H20 H 1.1802 1.2529 0.6336 0.047 Uiso 1 1 calc R . .
C21 C 1.01322(19) 1.0962(2) 0.64683(9) 0.0308(4) Uani 1 1 d . . .
H21 H 1.0424 1.0828 0.6864 0.037 Uiso 1 1 calc R . .
C22 C 0.93096(18) 0.87253(19) 0.84966(8) 0.0236(3) Uani 1 1 d . . .
C23 C 0.9143(2) 0.7245(2) 0.84842(9) 0.0313(4) Uani 1 1 d . . .
H23 H 0.8600 0.6697 0.8165 0.038 Uiso 1 1 calc R . .
C24 C 0.9760(3) 0.6566(3) 0.89315(10) 0.0432(5) Uani 1 1 d . . .
H24 H 0.9652 0.5557 0.8915 0.052 Uiso 1 1 calc R . .
C25 C 1.0536(3) 0.7353(3) 0.94027(10) 0.0464(6) Uani 1 1 d . . .
H25 H 1.0949 0.6886 0.9712 0.056 Uiso 1 1 calc R . .
C26 C 1.0707(2) 0.8824(3) 0.94233(10) 0.0443(6) Uani 1 1 d . . .
H26 H 1.1244 0.9365 0.9746 0.053 Uiso 1 1 calc R . .
C27 C 1.0097(2) 0.9510(2) 0.89750(9) 0.0337(4) Uani 1 1 d . . .
H27 H 1.0214 1.0519 0.8993 0.040 Uiso 1 1 calc R . .
C28 C 0.92503(18) 1.13421(18) 0.78744(8) 0.0241(3) Uani 1 1 d . . .
C29 C 1.0753(2) 1.1695(2) 0.79577(9) 0.0322(4) Uani 1 1 d . . .
H29 H 1.1313 1.1016 0.8096 0.039 Uiso 1 1 calc R . .
C30 C 1.1423(2) 1.3049(2) 0.78361(11) 0.0430(5) Uani 1 1 d . . .
H30 H 1.2438 1.3293 0.7900 0.052 Uiso 1 1 calc R . .
C31 C 1.0625(3) 1.4030(2) 0.76241(12) 0.0482(6) Uani 1 1 d . . .
H31 H 1.1088 1.4945 0.7539 0.058 Uiso 1 1 calc R . .
C32 C 0.9139(3) 1.3679(2) 0.75346(12) 0.0424(5) Uani 1 1 d . . .
H32 H 0.8588 1.4354 0.7385 0.051 Uiso 1 1 calc R . .
C33 C 0.8453(2) 1.2341(2) 0.76626(9) 0.0314(4) Uani 1 1 d . . .
H33 H 0.7435 1.2112 0.7605 0.038 Uiso 1 1 calc R . .
C34 C 0.3794(3) 0.9672(3) 0.57754(10) 0.0485(6) Uani 1 1 d . . .
H34A H 0.4315 0.9330 0.5448 0.073 Uiso 1 1 calc R . .
H34B H 0.3229 1.0390 0.5641 0.073 Uiso 1 1 calc R . .
H34C H 0.3148 0.8874 0.5916 0.073 Uiso 1 1 calc R . .
C35 C 0.6127(3) 1.2138(2) 0.61272(11) 0.0463(6) Uani 1 1 d . . .
H35A H 0.6967 1.2471 0.6398 0.070 Uiso 1 1 calc R . .
H35B H 0.5499 1.2871 0.6114 0.070 Uiso 1 1 calc R . .
H35C H 0.6447 1.1944 0.5732 0.070 Uiso 1 1 calc R . .
C36 C 0.4122(2) 1.1035(2) 0.70309(9) 0.0320(4) Uani 1 1 d . . .
H36A H 0.3405 1.0239 0.7128 0.048 Uiso 1 1 calc R . .
H36B H 0.3637 1.1840 0.6931 0.048 Uiso 1 1 calc R . .
H36C H 0.4806 1.1320 0.7371 0.048 Uiso 1 1 calc R . .
C37 C 0.6200(3) 0.9108(3) 0.93664(9) 0.0410(5) Uani 1 1 d . . .
H37A H 0.5463 0.8275 0.9270 0.062 Uiso 1 1 calc R . .
H37B H 0.6001 0.9580 0.9740 0.062 Uiso 1 1 calc R . .
H37C H 0.7150 0.8805 0.9403 0.062 Uiso 1 1 calc R . .
C38 C 0.4320(2) 1.0826(2) 0.86641(9) 0.0365(5) Uani 1 1 d . . .
H38A H 0.4334 1.1617 0.8406 0.055 Uiso 1 1 calc R . .
H38B H 0.3980 1.1102 0.9047 0.055 Uiso 1 1 calc R . .
H38C H 0.3672 0.9996 0.8484 0.055 Uiso 1 1 calc R . .
C39 C 0.7355(2) 1.2066(2) 0.90452(10) 0.0393(5) Uani 1 1 d . . .
H39A H 0.8356 1.1897 0.9090 0.059 Uiso 1 1 calc R . .
H39B H 0.7044 1.2391 0.9427 0.059 Uiso 1 1 calc R . .
H39C H 0.7281 1.2795 0.8763 0.059 Uiso 1 1 calc R . .
C100 C 0.2426(6) 0.3789(6) 0.9495(3) 0.0864(14) Uiso 0.75 1 d P . .
C101 C 0.3100(7) 0.4677(7) 0.9807(3) 0.0960(16) Uiso 0.75 1 d P . .
C102 C 0.4323(7) 0.4148(7) 0.9684(3) 0.0592(14) Uiso 0.50 1 d P . .
C103 C 0.5214(6) 0.5332(6) 1.0069(3) 0.0514(13) Uiso 0.50 1 d P . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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
N2 Y1 N1 89.25(5) . . ?
N2 Y1 C5 106.76(7) . . ?
N1 Y1 C5 121.41(8) . . ?
N2 Y1 C4 132.01(7) . . ?
N1 Y1 C4 97.62(7) . . ?
C5 Y1 C4 32.07(9) . . ?
N2 Y1 C8 110.65(7) . . ?
N1 Y1 C8 144.01(7) . . ?
C5 Y1 C8 82.35(8) . . ?
C4 Y1 C8 90.83(8) . . ?
N2 Y1 C1 136.55(7) . . ?
N1 Y1 C1 115.33(7) . . ?
C5 Y1 C1 90.79(7) . . ?
C4 Y1 C1 82.07(8) . . ?
C8 Y1 C1 31.42(8) . . ?
N2 Y1 C6 93.37(6) . . ?
N1 Y1 C6 151.45(8) . . ?
C5 Y1 C6 31.31(9) . . ?
C4 Y1 C6 60.22(9) . . ?
C8 Y1 C6 60.02(9) . . ?
C1 Y1 C6 81.35(8) . . ?
N2 Y1 C7 94.83(6) . . ?
N1 Y1 C7 175.07(7) . . ?
C5 Y1 C7 59.96(10) . . ?
C4 Y1 C7 81.69(9) . . ?
C8 Y1 C7 31.41(9) . . ?
C1 Y1 C7 59.74(9) . . ?
C6 Y1 C7 31.17(9) . . ?
N2 Y1 C2 166.96(7) . . ?
N1 Y1 C2 95.02(6) . . ?
C5 Y1 C2 81.48(8) . . ?
C4 Y1 C2 59.65(8) . . ?
C8 Y1 C2 59.64(8) . . ?
C1 Y1 C2 31.27(8) . . ?
C6 Y1 C2 88.75(7) . . ?
C7 Y1 C2 80.40(8) . . ?
N2 Y1 C3 161.94(7) . . ?
N1 Y1 C3 88.28(6) . . ?
C5 Y1 C3 60.03(9) . . ?
C4 Y1 C3 31.13(9) . . ?
C8 Y1 C3 81.12(8) . . ?
C1 Y1 C3 59.67(8) . . ?
C6 Y1 C3 80.51(8) . . ?
C7 Y1 C3 88.67(8) . . ?
C2 Y1 C3 30.94(8) . . ?
N2 Y1 C9 63.82(5) . . ?
N1 Y1 C9 62.01(5) . . ?
C5 Y1 C9 170.46(7) . . ?
C4 Y1 C9 156.30(8) . . ?
C8 Y1 C9 99.29(7) . . ?
C1 Y1 C9 95.45(6) . . ?
C6 Y1 C9 142.97(8) . . ?
C7 Y1 C9 117.49(7) . . ?
C2 Y1 C9 107.51(6) . . ?
C3 Y1 C9 129.47(7) . . ?
N2 Y1 P1 83.83(3) . . ?
N1 Y1 P1 30.58(3) . . ?
C5 Y1 P1 151.44(7) . . ?
C4 Y1 P1 122.99(7) . . ?
C8 Y1 P1 119.39(6) . . ?
C1 Y1 P1 99.50(5) . . ?
C6 Y1 P1 176.72(6) . . ?
C7 Y1 P1 147.20(7) . . ?
C2 Y1 P1 93.60(5) . . ?
C3 Y1 P1 102.66(6) . . ?
C9 Y1 P1 33.92(3) . . ?
N1 P1 C9 107.37(8) . . ?
N1 P1 C10 113.16(8) . . ?
C9 P1 C10 104.81(8) . . ?
N1 P1 C16 112.86(8) . . ?
C9 P1 C16 118.65(8) . . ?
C10 P1 C16 99.66(8) . . ?
N1 P1 Y1 50.48(5) . . ?
C9 P1 Y1 62.61(5) . . ?
C10 P1 Y1 102.40(5) . . ?
C16 P1 Y1 156.60(5) . . ?
N2 P2 C9 109.38(7) . . ?
N2 P2 C28 110.10(8) . . ?
C9 P2 C28 112.58(8) . . ?
N2 P2 C22 111.94(8) . . ?
C9 P2 C22 104.98(8) . . ?
C28 P2 C22 107.79(8) . . ?
N2 P2 Y1 48.46(5) . . ?
C9 P2 Y1 61.55(5) . . ?
C28 P2 Y1 135.53(6) . . ?
C22 P2 Y1 116.35(6) . . ?
N1 Si1 C35 116.47(10) . . ?
N1 Si1 C34 110.45(10) . . ?
C35 Si1 C34 107.31(13) . . ?
N1 Si1 C36 106.45(8) . . ?
C35 Si1 C36 106.29(10) . . ?
C34 Si1 C36 109.68(11) . . ?
N2 Si2 C38 109.83(8) . . ?
N2 Si2 C37 110.56(9) . . ?
C38 Si2 C37 108.99(11) . . ?
N2 Si2 C39 114.20(9) . . ?
C38 Si2 C39 106.11(10) . . ?
C37 Si2 C39 106.96(11) . . ?
P1 N1 Si1 139.18(9) . . ?
P1 N1 Y1 98.93(7) . . ?
Si1 N1 Y1 120.23(7) . . ?
P2 N2 Si2 125.51(8) . . ?
P2 N2 Y1 101.28(6) . . ?
Si2 N2 Y1 130.00(7) . . ?
C8 C1 C2 135.1(2) . . ?
C8 C1 Y1 74.24(13) . . ?
C2 C1 Y1 76.01(12) . . ?
C3 C2 C1 135.2(2) . . ?
C3 C2 Y1 74.78(12) . . ?
C1 C2 Y1 72.73(12) . . ?
C4 C3 C2 135.1(2) . . ?
C4 C3 Y1 72.42(12) . . ?
C2 C3 Y1 74.28(12) . . ?
C3 C4 C5 134.6(2) . . ?
C3 C4 Y1 76.45(13) . . ?
C5 C4 Y1 73.75(12) . . ?
C6 C5 C4 134.3(2) . . ?
C6 C5 Y1 75.48(12) . . ?
C4 C5 Y1 74.17(12) . . ?
C5 C6 C7 135.6(2) . . ?
C5 C6 Y1 73.20(12) . . ?
C7 C6 Y1 74.65(13) . . ?
C6 C7 C8 135.1(2) . . ?
C6 C7 Y1 74.18(13) . . ?
C8 C7 Y1 73.20(13) . . ?
C1 C8 C7 134.6(2) . . ?
C1 C8 Y1 74.35(13) . . ?
C7 C8 Y1 75.39(13) . . ?
P1 C9 P2 125.58(10) . . ?
P1 C9 Y1 83.47(6) . . ?
P2 C9 Y1 84.60(6) . . ?
C15 C10 C11 118.38(17) . . ?
C15 C10 P1 120.57(15) . . ?
C11 C10 P1 120.91(14) . . ?
C12 C11 C10 121.1(2) . . ?
C13 C12 C11 119.7(2) . . ?
C14 C13 C12 120.3(2) . . ?
C13 C14 C15 120.3(2) . . ?
C10 C15 C14 120.2(2) . . ?
C21 C16 C17 118.80(17) . . ?
C21 C16 P1 123.13(14) . . ?
C17 C16 P1 118.06(14) . . ?
C18 C17 C16 120.5(2) . . ?
C19 C18 C17 120.0(2) . . ?
C20 C19 C18 120.30(18) . . ?
C19 C20 C21 120.0(2) . . ?
C16 C21 C20 120.34(19) . . ?
C23 C22 C27 118.62(18) . . ?
C23 C22 P2 118.69(14) . . ?
C27 C22 P2 122.20(15) . . ?
C24 C23 C22 120.73(19) . . ?
C25 C24 C23 120.1(2) . . ?
C24 C25 C26 119.9(2) . . ?
C25 C26 C27 120.2(2) . . ?
C26 C27 C22 120.4(2) . . ?
C33 C28 C29 119.24(17) . . ?
C33 C28 P2 117.43(13) . . ?
C29 C28 P2 122.86(15) . . ?
C30 C29 C28 119.8(2) . . ?
C31 C30 C29 120.5(2) . . ?
C30 C31 C32 119.8(2) . . ?
C31 C32 C33 120.3(2) . . ?
C28 C33 C32 120.29(18) . . ?
C101 C100 C102 49.3(4) . . ?
C100 C101 C102 90.3(6) . . ?
C100 C101 C103 119.7(6) . 2_667 ?
C102 C101 C103 29.8(3) . 2_667 ?
C103 C102 C101 92.0(8) 2_667 . ?
C103 C102 C103 10.4(8) 2_667 . ?
C101 C102 C103 90.7(5) . . ?
C103 C102 C100 132.0(8) 2_667 . ?
C101 C102 C100 40.5(3) . . ?
C103 C102 C100 131.1(5) . . ?
C103 C103 C102 158.4(16) 2_667 2_667 ?
C103 C103 C102 11.2(8) 2_667 . ?
C102 C103 C102 169.6(8) 2_667 . ?
C103 C103 C101 116.7(11) 2_667 2_667 ?
C102 C103 C101 58.2(7) 2_667 2_667 ?
C102 C103 C101 119.9(5) . 2_667 ?
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
Y1 N2 2.3899(14) . ?
Y1 N1 2.4163(14) . ?
Y1 C5 2.571(2) . ?
Y1 C4 2.576(2) . ?
Y1 C8 2.578(2) . ?
Y1 C1 2.579(2) . ?
Y1 C6 2.600(2) . ?
Y1 C7 2.606(2) . ?
Y1 C2 2.621(2) . ?
Y1 C3 2.627(2) . ?
Y1 C9 2.7654(16) . ?
Y1 P1 3.0942(6) . ?
P1 N1 1.5936(15) . ?
P1 C9 1.7378(17) . ?
P1 C10 1.8215(17) . ?
P1 C16 1.8255(17) . ?
P2 N2 1.6091(14) . ?
P2 C9 1.7517(16) . ?
P2 C28 1.8174(18) . ?
P2 C22 1.8231(18) . ?
Si1 N1 1.7211(15) . ?
Si1 C35 1.868(2) . ?
Si1 C34 1.869(2) . ?
Si1 C36 1.8692(19) . ?
Si2 N2 1.7409(14) . ?
Si2 C38 1.860(2) . ?
Si2 C37 1.869(2) . ?
Si2 C39 1.877(2) . ?
C1 C8 1.396(4) . ?
C1 C2 1.402(4) . ?
C2 C3 1.400(4) . ?
C3 C4 1.397(4) . ?
C4 C5 1.422(4) . ?
C5 C6 1.396(4) . ?
C6 C7 1.399(4) . ?
C7 C8 1.403(4) . ?
C10 C15 1.391(3) . ?
C10 C11 1.394(3) . ?
C11 C12 1.387(3) . ?
C12 C13 1.375(4) . ?
C13 C14 1.372(4) . ?
C14 C15 1.396(3) . ?
C16 C21 1.382(3) . ?
C16 C17 1.396(3) . ?
C17 C18 1.387(3) . ?
C18 C19 1.374(3) . ?
C19 C20 1.374(3) . ?
C20 C21 1.399(3) . ?
C22 C23 1.395(3) . ?
C22 C27 1.399(3) . ?
C23 C24 1.384(3) . ?
C24 C25 1.384(3) . ?
C25 C26 1.385(4) . ?
C26 C27 1.387(3) . ?
C28 C33 1.388(3) . ?
C28 C29 1.403(2) . ?
C29 C30 1.398(3) . ?
C30 C31 1.375(4) . ?
C31 C32 1.389(3) . ?
C32 C33 1.394(3) . ?
C100 C101 1.163(7) . ?
C100 C102 1.791(9) . ?
C101 C102 1.357(8) . ?
C101 C103 1.597(9) 2_667 ?
C102 C103 0.794(7) 2_667 ?
C102 C103 1.509(9) . ?
C103 C103 0.742(10) 2_667 ?
C103 C102 0.794(7) 2_667 ?
C103 C101 1.597(9) 2_667 ?
