#------------------------------------------------------------------------------
#$Date: 2016-03-27 05:05:50 +0300 (Sun, 27 Mar 2016) $
#$Revision: 180535 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/08/1100885.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_1100885
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 Yb'
_chemical_formula_weight         870.01
_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                93.493(4)
_cell_angle_beta                 92.759(4)
_cell_angle_gamma                99.268(4)
_cell_formula_units_Z            2
_cell_length_a                   9.377(2)
_cell_length_b                   9.508(2)
_cell_length_c                   22.703(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1990.6(7)
_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 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0303
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            24561
_diffrn_reflns_theta_full        30.57
_diffrn_reflns_theta_max         30.57
_diffrn_reflns_theta_min         0.90
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    2.521
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.640115
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             886
_exptl_crystal_size_max          .6
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          .05
_refine_diff_density_max         1.616
_refine_diff_density_min         -1.219
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         11939
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0265
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0341P)²+1.1567P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0670
_reflns_number_gt                10682
_reflns_number_total             11939
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4060420
_cod_data_source_file            om0491138si20041116_113831.cif
_cod_data_source_block           1d
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C41.50 H52 N2 P2 Si2 Yb'
_cod_database_code               1100885
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
Yb Yb 0.538462(10) 0.778087(10) 0.743355(4) 0.01859(3) Uani 1 1 d . . .
P1 P 0.77058(6) 0.88181(6) 0.65951(2) 0.01737(10) Uani 1 1 d . . .
P2 P 0.82934(6) 0.95171(6) 0.79424(2) 0.01722(10) Uani 1 1 d . . .
Si1 Si 0.51058(8) 1.04211(8) 0.63937(3) 0.02478(14) Uani 1 1 d . . .
Si2 Si 0.61479(7) 1.03354(8) 0.87653(3) 0.02403(13) Uani 1 1 d . . .
N1 N 0.6111(2) 0.9179(2) 0.66369(8) 0.0195(4) Uani 1 1 d . . .
N2 N 0.6655(2) 0.9563(2) 0.81090(8) 0.0186(4) Uani 1 1 d . . .
C1 C 0.5296(3) 0.5098(3) 0.72393(15) 0.0375(6) Uani 1 1 d . . .
H1 H 0.5991 0.4536 0.7114 0.045 Uiso 1 1 calc R . .
C2 C 0.4456(4) 0.5478(3) 0.67644(14) 0.0390(7) Uani 1 1 d . . .
H2 H 0.4663 0.5051 0.6396 0.047 Uiso 1 1 calc R . .
C3 C 0.3381(3) 0.6341(3) 0.67048(14) 0.0394(7) Uani 1 1 d . . .
H3 H 0.3019 0.6345 0.6307 0.047 Uiso 1 1 calc R . .
C4 C 0.2719(3) 0.7195(3) 0.70945(16) 0.0406(7) Uani 1 1 d . . .
H4 H 0.2087 0.7722 0.6896 0.049 Uiso 1 1 calc R . .
C5 C 0.2769(3) 0.7456(3) 0.77120(17) 0.0423(8) Uani 1 1 d . . .
H5 H 0.2157 0.8109 0.7836 0.051 Uiso 1 1 calc R . .
C6 C 0.3521(4) 0.6969(3) 0.81849(15) 0.0423(7) Uani 1 1 d . . .
H6 H 0.3241 0.7312 0.8556 0.051 Uiso 1 1 calc R . .
C7 C 0.4583(4) 0.6101(3) 0.82469(14) 0.0420(7) Uani 1 1 d . . .
H7 H 0.4847 0.5994 0.8649 0.050 Uiso 1 1 calc R . .
C8 C 0.5349(3) 0.5354(3) 0.78554(15) 0.0398(7) Uani 1 1 d . . .
H8 H 0.6067 0.4922 0.8052 0.048 Uiso 1 1 calc R . .
C9 C 0.8268(2) 0.8411(2) 0.72964(10) 0.0188(4) Uani 1 1 d . . .
H9 H 0.8829 0.7604 0.7317 0.023 Uiso 1 1 calc R . .
C10 C 0.7792(3) 0.7220(3) 0.61218(10) 0.0225(4) Uani 1 1 d . . .
C11 C 0.8968(3) 0.6495(3) 0.61826(12) 0.0333(6) Uani 1 1 d . . .
H11 H 0.9700 0.6808 0.6488 0.040 Uiso 1 1 calc R . .
C12 C 0.9077(4) 0.5325(3) 0.58028(15) 0.0445(8) Uani 1 1 d . . .
H12 H 0.9868 0.4825 0.5855 0.053 Uiso 1 1 calc R . .
C13 C 0.8050(4) 0.4886(3) 0.53526(14) 0.0441(8) Uani 1 1 d . . .
H13 H 0.8134 0.4091 0.5090 0.053 Uiso 1 1 calc R . .
C14 C 0.6893(4) 0.5601(4) 0.52809(14) 0.0432(8) Uani 1 1 d . . .
H14 H 0.6187 0.5301 0.4965 0.052 Uiso 1 1 calc R . .
C15 C 0.6747(3) 0.6757(3) 0.56672(12) 0.0330(6) Uani 1 1 d . . .
H15 H 0.5934 0.7229 0.5620 0.040 Uiso 1 1 calc R . .
C16 C 0.8888(3) 1.0131(2) 0.62145(10) 0.0211(4) Uani 1 1 d . . .
C17 C 0.8507(3) 1.0314(3) 0.56237(11) 0.0301(5) Uani 1 1 d . . .
H17 H 0.7659 0.9755 0.5434 0.036 Uiso 1 1 calc R . .
C18 C 0.9359(3) 1.1306(3) 0.53141(13) 0.0356(6) Uani 1 1 d . . .
H18 H 0.9094 1.1424 0.4913 0.043 Uiso 1 1 calc R . .
C19 C 1.0591(3) 1.2124(3) 0.55845(14) 0.0357(6) Uani 1 1 d . . .
H19 H 1.1165 1.2813 0.5372 0.043 Uiso 1 1 calc R . .
C20 C 1.0991(3) 1.1943(3) 0.61643(14) 0.0370(6) Uani 1 1 d . . .
H20 H 1.1839 1.2507 0.6351 0.044 Uiso 1 1 calc R . .
C21 C 1.0148(3) 1.0930(3) 0.64765(12) 0.0294(5) Uani 1 1 d . . .
H21 H 1.0441 1.0788 0.6872 0.035 Uiso 1 1 calc R . .
C22 C 0.9298(2) 0.8700(3) 0.84982(10) 0.0230(4) Uani 1 1 d . . .
C23 C 0.9147(3) 0.7215(3) 0.84808(11) 0.0301(5) Uani 1 1 d . . .
H23 H 0.8609 0.6657 0.8158 0.036 Uiso 1 1 calc R . .
C24 C 0.9771(4) 0.6540(4) 0.89277(13) 0.0407(7) Uani 1 1 d . . .
H24 H 0.9668 0.5527 0.8908 0.049 Uiso 1 1 calc R . .
C25 C 1.0546(4) 0.7348(4) 0.94034(13) 0.0446(8) Uani 1 1 d . . .
H25 H 1.0966 0.6888 0.9712 0.054 Uiso 1 1 calc R . .
C26 C 1.0706(3) 0.8820(4) 0.94288(13) 0.0410(7) Uani 1 1 d . . .
H26 H 1.1245 0.9370 0.9753 0.049 Uiso 1 1 calc R . .
C27 C 1.0079(3) 0.9504(3) 0.89798(12) 0.0317(6) Uani 1 1 d . . .
H27 H 1.0183 1.0517 0.9002 0.038 Uiso 1 1 calc R . .
C28 C 0.9249(3) 1.1314(3) 0.78761(11) 0.0236(5) Uani 1 1 d . . .
C29 C 1.0757(3) 1.1684(3) 0.79619(13) 0.0307(5) Uani 1 1 d . . .
H29 H 1.1314 1.1011 0.8104 0.037 Uiso 1 1 calc R . .
C30 C 1.1438(3) 1.3039(3) 0.78387(15) 0.0404(7) Uani 1 1 d . . .
H30 H 1.2458 1.3292 0.7904 0.049 Uiso 1 1 calc R . .
C31 C 1.0643(4) 1.4011(3) 0.76230(16) 0.0452(8) Uani 1 1 d . . .
H31 H 1.1114 1.4931 0.7537 0.054 Uiso 1 1 calc R . .
C32 C 0.9149(4) 1.3647(3) 0.75311(16) 0.0407(7) Uani 1 1 d . . .
H32 H 0.8602 1.4318 0.7380 0.049 Uiso 1 1 calc R . .
C33 C 0.8454(3) 1.2307(3) 0.76588(12) 0.0289(5) Uani 1 1 d . . .
H33 H 0.7432 1.2066 0.7597 0.035 Uiso 1 1 calc R . .
C34 C 0.3774(4) 0.9599(4) 0.57801(13) 0.0451(8) Uani 1 1 d . . .
H34A H 0.4294 0.9269 0.5448 0.068 Uiso 1 1 calc R . .
H34B H 0.3200 1.0310 0.5651 0.068 Uiso 1 1 calc R . .
H34C H 0.3131 0.8786 0.5920 0.068 Uiso 1 1 calc R . .
C35 C 0.6135(4) 1.2085(3) 0.61334(14) 0.0422(7) Uani 1 1 d . . .
H35A H 0.6985 1.2422 0.6403 0.063 Uiso 1 1 calc R . .
H35B H 0.5514 1.2821 0.6124 0.063 Uiso 1 1 calc R . .
H35C H 0.6448 1.1889 0.5735 0.063 Uiso 1 1 calc R . .
C36 C 0.4119(3) 1.1001(3) 0.70373(12) 0.0304(5) Uani 1 1 d . . .
H36A H 0.3341 1.0229 0.7117 0.046 Uiso 1 1 calc R . .
H36B H 0.3705 1.1851 0.6946 0.046 Uiso 1 1 calc R . .
H36C H 0.4794 1.1227 0.7386 0.046 Uiso 1 1 calc R . .
C37 C 0.6169(4) 0.9081(4) 0.93680(12) 0.0388(7) Uani 1 1 d . . .
H37A H 0.5359 0.8290 0.9294 0.058 Uiso 1 1 calc R . .
H37B H 0.6077 0.9592 0.9749 0.058 Uiso 1 1 calc R . .
H37C H 0.7083 0.8705 0.9377 0.058 Uiso 1 1 calc R . .
C38 C 0.4301(3) 1.0797(3) 0.86628(13) 0.0348(6) Uani 1 1 d . . .
H38A H 0.4331 1.1597 0.8409 0.052 Uiso 1 1 calc R . .
H38B H 0.3961 1.1070 0.9048 0.052 Uiso 1 1 calc R . .
H38C H 0.3640 0.9968 0.8478 0.052 Uiso 1 1 calc R . .
C39 C 0.7351(3) 1.2042(3) 0.90418(13) 0.0365(6) Uani 1 1 d . . .
H39A H 0.8348 1.1867 0.9100 0.055 Uiso 1 1 calc R . .
H39B H 0.7021 1.2391 0.9418 0.055 Uiso 1 1 calc R . .
H39C H 0.7312 1.2758 0.8752 0.055 Uiso 1 1 calc R . .
C100 C 0.2424(8) 0.3817(8) 0.9497(3) 0.0835(19) Uiso 0.75 1 d P . .
C101 C 0.3113(10) 0.4710(10) 0.9815(4) 0.099(2) Uiso 0.75 1 d P . .
C102 C 0.4281(9) 0.4123(9) 0.9668(4) 0.0576(19) Uiso 0.50 1 d P . .
C103 C 0.5195(8) 0.5322(7) 1.0067(3) 0.0461(16) 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'
Yb Yb -0.3850 5.5486 '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 Yb N1 90.35(7) . . ?
N2 Yb C5 105.98(9) . . ?
N1 Yb C5 119.74(10) . . ?
N2 Yb C4 131.53(9) . . ?
N1 Yb C4 96.16(9) . . ?
C5 Yb C4 32.13(12) . . ?
N2 Yb C8 109.21(9) . . ?
N1 Yb C8 144.67(10) . . ?
C5 Yb C8 83.71(11) . . ?
C4 Yb C8 92.31(10) . . ?
N2 Yb C1 135.59(9) . . ?
N1 Yb C1 115.38(9) . . ?
C5 Yb C1 92.29(10) . . ?
C4 Yb C1 83.41(10) . . ?
C8 Yb C1 31.93(11) . . ?
N2 Yb C6 92.12(9) . . ?
N1 Yb C6 150.20(10) . . ?
C5 Yb C6 31.84(11) . . ?
C4 Yb C6 60.80(12) . . ?
C8 Yb C6 60.77(12) . . ?
C1 Yb C6 82.53(11) . . ?
N2 Yb C7 93.33(9) . . ?
N1 Yb C7 175.86(9) . . ?
C5 Yb C7 60.97(12) . . ?
C4 Yb C7 82.82(11) . . ?
C8 Yb C7 31.70(11) . . ?
C1 Yb C7 60.55(11) . . ?
C6 Yb C7 31.60(11) . . ?
N2 Yb C2 166.44(9) . . ?
N1 Yb C2 94.42(9) . . ?
C5 Yb C2 82.60(11) . . ?
C4 Yb C2 60.56(11) . . ?
C8 Yb C2 60.58(11) . . ?
C1 Yb C2 31.69(10) . . ?
C6 Yb C2 90.03(10) . . ?
C7 Yb C2 81.57(10) . . ?
N2 Yb C3 161.94(9) . . ?
N1 Yb C3 87.04(8) . . ?
C5 Yb C3 60.59(11) . . ?
C4 Yb C3 31.55(11) . . ?
C8 Yb C3 82.50(10) . . ?
C1 Yb C3 60.62(10) . . ?
C6 Yb C3 81.54(11) . . ?
C7 Yb C3 90.05(10) . . ?
C2 Yb C3 31.44(11) . . ?
N2 Yb C9 64.86(7) . . ?
N1 Yb C9 63.24(6) . . ?
C5 Yb C9 170.78(9) . . ?
C4 Yb C9 155.84(10) . . ?
C8 Yb C9 98.05(9) . . ?
C1 Yb C9 93.93(8) . . ?
C6 Yb C9 142.84(9) . . ?
C7 Yb C9 116.77(9) . . ?
C2 Yb C9 106.19(9) . . ?
C3 Yb C9 128.57(9) . . ?
N2 Yb P1 85.06(5) . . ?
N1 Yb P1 31.17(5) . . ?
C5 Yb P1 150.33(9) . . ?
C4 Yb P1 121.98(8) . . ?
C8 Yb P1 119.22(8) . . ?
C1 Yb P1 98.75(7) . . ?
C6 Yb P1 176.99(8) . . ?
C7 Yb P1 147.39(9) . . ?
C2 Yb P1 92.48(7) . . ?
C3 Yb P1 101.46(8) . . ?
C9 Yb P1 34.55(5) . . ?
N1 P1 C9 107.03(11) . . ?
N1 P1 C16 112.91(11) . . ?
C9 P1 C16 118.62(11) . . ?
N1 P1 C10 113.59(11) . . ?
C9 P1 C10 104.68(11) . . ?
C16 P1 C10 99.74(11) . . ?
N1 P1 Yb 50.38(7) . . ?
C9 P1 Yb 62.16(8) . . ?
C16 P1 Yb 156.06(8) . . ?
C10 P1 Yb 103.03(8) . . ?
N2 P2 C9 108.78(10) . . ?
N2 P2 C28 110.23(11) . . ?
C9 P2 C28 112.86(11) . . ?
N2 P2 C22 112.33(11) . . ?
C9 P2 C22 104.89(11) . . ?
C28 P2 C22 107.70(12) . . ?
N2 P2 Yb 48.28(7) . . ?
C9 P2 Yb 61.05(8) . . ?
C28 P2 Yb 135.10(8) . . ?
C22 P2 Yb 116.92(8) . . ?
N1 Si1 C35 116.58(13) . . ?
N1 Si1 C36 106.79(11) . . ?
C35 Si1 C36 105.85(14) . . ?
N1 Si1 C34 110.31(13) . . ?
C35 Si1 C34 107.46(16) . . ?
C36 Si1 C34 109.65(15) . . ?
N1 Si1 Yb 34.57(7) . . ?
C35 Si1 Yb 141.48(12) . . ?
C36 Si1 Yb 75.65(8) . . ?
C34 Si1 Yb 107.97(12) . . ?
N2 Si2 C38 110.35(11) . . ?
N2 Si2 C37 110.43(12) . . ?
C38 Si2 C37 109.29(15) . . ?
N2 Si2 C39 114.20(12) . . ?
C38 Si2 C39 105.68(14) . . ?
C37 Si2 C39 106.67(15) . . ?
P1 N1 Si1 138.82(13) . . ?
P1 N1 Yb 98.45(9) . . ?
Si1 N1 Yb 121.04(10) . . ?
P2 N2 Si2 125.12(11) . . ?
P2 N2 Yb 100.97(9) . . ?
Si2 N2 Yb 130.99(10) . . ?
C8 C1 C2 134.9(3) . . ?
C8 C1 Yb 73.97(16) . . ?
C2 C1 Yb 75.78(17) . . ?
C1 C2 C3 135.2(3) . . ?
C1 C2 Yb 72.53(16) . . ?
C3 C2 Yb 74.48(16) . . ?
C4 C3 C2 134.9(3) . . ?
C4 C3 Yb 72.13(16) . . ?
C2 C3 Yb 74.08(16) . . ?
C3 C4 C5 134.9(3) . . ?
C3 C4 Yb 76.32(16) . . ?
C5 C4 Yb 73.73(16) . . ?
C6 C5 C4 134.2(3) . . ?
C6 C5 Yb 75.10(17) . . ?
C4 C5 Yb 74.14(17) . . ?
C5 C6 C7 135.9(3) . . ?
C5 C6 Yb 73.06(17) . . ?
C7 C6 Yb 74.66(17) . . ?
C8 C7 C6 135.0(3) . . ?
C8 C7 Yb 73.07(16) . . ?
C6 C7 Yb 73.73(17) . . ?
C7 C8 C1 134.5(3) . . ?
C7 C8 Yb 75.23(16) . . ?
C1 C8 Yb 74.10(16) . . ?
P1 C9 P2 125.05(13) . . ?
P1 C9 Yb 83.28(8) . . ?
P2 C9 Yb 84.59(9) . . ?
C15 C10 C11 118.6(2) . . ?
C15 C10 P1 120.7(2) . . ?
C11 C10 P1 120.48(19) . . ?
C12 C11 C10 120.7(3) . . ?
C13 C12 C11 120.2(3) . . ?
C12 C13 C14 119.9(3) . . ?
C13 C14 C15 120.7(3) . . ?
C10 C15 C14 119.9(3) . . ?
C21 C16 C17 118.8(2) . . ?
C21 C16 P1 123.32(18) . . ?
C17 C16 P1 117.84(19) . . ?
C18 C17 C16 120.3(3) . . ?
C19 C18 C17 120.3(3) . . ?
C18 C19 C20 120.0(3) . . ?
C19 C20 C21 119.9(3) . . ?
C16 C21 C20 120.5(3) . . ?
C23 C22 C27 118.8(2) . . ?
C23 C22 P2 118.87(18) . . ?
C27 C22 P2 121.9(2) . . ?
C24 C23 C22 121.0(3) . . ?
C23 C24 C25 119.9(3) . . ?
C26 C25 C24 120.0(3) . . ?
C25 C26 C27 120.3(3) . . ?
C26 C27 C22 120.1(3) . . ?
C33 C28 C29 119.2(2) . . ?
C33 C28 P2 117.41(18) . . ?
C29 C28 P2 122.9(2) . . ?
C30 C29 C28 119.9(3) . . ?
C31 C30 C29 120.4(3) . . ?
C30 C31 C32 120.0(3) . . ?
C33 C32 C31 120.2(3) . . ?
C32 C33 C28 120.2(3) . . ?
C101 C100 C102 51.0(6) . . ?
C100 C101 C102 87.0(8) . . ?
C100 C101 C103 118.9(8) . 2_667 ?
C102 C101 C103 32.3(5) . 2_667 ?
C100 C101 C103 137.0(8) . . ?
C102 C101 C103 50.1(6) . . ?
C103 C101 C103 18.9(5) 2_667 . ?
C103 C102 C101 90.1(10) 2_667 . ?
C103 C102 C103 10.2(9) 2_667 . ?
C101 C102 C103 87.2(7) . . ?
C103 C102 C100 131.6(11) 2_667 . ?
C101 C102 C100 42.0(5) . . ?
C103 C102 C100 129.2(7) . . ?
C103 C103 C102 157(2) 2_667 2_667 ?
C103 C103 C102 12.5(11) 2_667 . ?
C102 C103 C102 169.8(9) 2_667 . ?
C103 C103 C101 113.6(15) 2_667 2_667 ?
C102 C103 C101 57.6(8) 2_667 2_667 ?
C102 C103 C101 118.9(6) . 2_667 ?
C103 C103 C101 47.5(12) 2_667 . ?
C102 C103 C101 139.2(10) 2_667 . ?
C102 C103 C101 42.8(4) . . ?
C101 C103 C101 161.1(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
Yb N2 2.3451(19) . ?
Yb N1 2.3712(19) . ?
Yb C5 2.538(3) . ?
Yb C4 2.543(3) . ?
Yb C8 2.548(3) . ?
Yb C1 2.550(3) . ?
Yb C6 2.564(3) . ?
Yb C7 2.575(3) . ?
Yb C2 2.591(3) . ?
Yb C3 2.596(3) . ?
Yb C9 2.711(2) . ?
Yb P1 3.0447(7) . ?
P1 N1 1.593(2) . ?
P1 C9 1.739(2) . ?
P1 C16 1.819(2) . ?
P1 C10 1.822(2) . ?
P2 N2 1.607(2) . ?
P2 C9 1.749(2) . ?
P2 C28 1.816(2) . ?
P2 C22 1.823(2) . ?
Si1 N1 1.725(2) . ?
Si1 C35 1.860(3) . ?
Si1 C36 1.868(3) . ?
Si1 C34 1.870(3) . ?
Si2 N2 1.741(2) . ?
Si2 C38 1.861(3) . ?
Si2 C37 1.870(3) . ?
Si2 C39 1.875(3) . ?
C1 C8 1.402(5) . ?
C1 C2 1.404(5) . ?
C2 C3 1.405(5) . ?
C3 C4 1.398(5) . ?
C4 C5 1.406(5) . ?
C5 C6 1.399(5) . ?
C6 C7 1.399(5) . ?
C7 C8 1.399(5) . ?
C10 C15 1.388(3) . ?
C10 C11 1.396(4) . ?
C11 C12 1.386(4) . ?
C12 C13 1.368(5) . ?
C13 C14 1.378(5) . ?
C14 C15 1.393(4) . ?
C16 C21 1.384(4) . ?
C16 C17 1.400(3) . ?
C17 C18 1.384(4) . ?
C18 C19 1.379(5) . ?
C19 C20 1.380(4) . ?
C20 C21 1.395(4) . ?
C22 C23 1.394(4) . ?
C22 C27 1.399(3) . ?
C23 C24 1.388(3) . ?
C24 C25 1.389(5) . ?
C25 C26 1.381(5) . ?
C26 C27 1.399(4) . ?
C28 C33 1.392(4) . ?
C28 C29 1.402(3) . ?
C29 C30 1.393(4) . ?
C30 C31 1.376(5) . ?
C31 C32 1.390(5) . ?
C32 C33 1.389(4) . ?
C100 C101 1.166(11) . ?
C100 C102 1.739(11) . ?
C101 C102 1.354(12) . ?
C101 C103 1.603(12) 2_667 ?
C101 C103 1.991(12) . ?
C102 C103 0.856(9) 2_667 ?
C102 C103 1.529(12) . ?
C103 C103 0.704(13) 2_667 ?
C103 C102 0.856(9) 2_667 ?
C103 C101 1.603(12) 2_667 ?
