#------------------------------------------------------------------------------
#$Date: 2016-03-27 05:05:50 +0300 (Sun, 27 Mar 2016) $
#$Revision: 180535 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/04/4060421.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_4060421
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 Lu N2 P2 Si2'
_chemical_formula_weight         871.94
_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                93.619(5)
_cell_angle_beta                 92.852(5)
_cell_angle_gamma                99.437(5)
_cell_formula_units_Z            2
_cell_length_a                   9.351(2)
_cell_length_b                   9.500(2)
_cell_length_c                   22.700(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1981.7(7)
_computing_molecular_graphics    'Diamond 2.1 '
_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 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_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            23438
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         0.90
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    2.663
_exptl_absorpt_correction_T_max  0.345
_exptl_absorpt_correction_T_min  0.19044
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             888
_exptl_crystal_size_max          .7
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .4
_refine_diff_density_max         1.297
_refine_diff_density_min         -1.661
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         11918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0237
_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)+(0.0277P)²+1.3361P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0565
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                10971
_reflns_number_total             11918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0491138si20041116_113831.cif
_cod_data_source_block           1e
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C41.50 H52 Lu N2 P2 Si2'
_cod_database_code               4060421
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
Lu Lu 0.539565(9) 0.775943(9) 0.743258(4) 0.01579(3) Uani 1 1 d . . .
P1 P 0.77048(6) 0.88096(6) 0.65951(2) 0.01521(9) Uani 1 1 d . . .
P2 P 0.82938(6) 0.95091(6) 0.79426(2) 0.01481(9) Uani 1 1 d . . .
Si1 Si 0.51030(7) 1.04075(7) 0.63956(3) 0.02240(12) Uani 1 1 d . . .
Si2 Si 0.61410(7) 1.03252(7) 0.87633(3) 0.02122(12) Uani 1 1 d . . .
N1 N 0.61096(19) 0.91688(19) 0.66426(8) 0.0179(3) Uani 1 1 d . . .
N2 N 0.66470(18) 0.95494(19) 0.81074(7) 0.0158(3) Uani 1 1 d . . .
C1 C 0.5310(3) 0.5086(3) 0.72354(14) 0.0348(6) Uani 1 1 d . . .
H1 H 0.6014 0.4533 0.7110 0.042 Uiso 1 1 calc R . .
C2 C 0.4465(3) 0.5457(3) 0.67630(12) 0.0348(6) Uani 1 1 d . . .
H2 H 0.4668 0.5021 0.6395 0.042 Uiso 1 1 calc R . .
C3 C 0.3391(3) 0.6316(3) 0.66992(12) 0.0348(6) Uani 1 1 d . . .
H3 H 0.3025 0.6303 0.6301 0.042 Uiso 1 1 calc R . .
C4 C 0.2732(3) 0.7188(3) 0.70836(14) 0.0359(6) Uani 1 1 d . . .
H4 H 0.2108 0.7718 0.6882 0.043 Uiso 1 1 calc R . .
C5 C 0.2785(3) 0.7459(3) 0.77072(14) 0.0367(6) Uani 1 1 d . . .
H5 H 0.2179 0.8120 0.7830 0.044 Uiso 1 1 calc R . .
C6 C 0.3531(3) 0.6969(3) 0.81819(12) 0.0363(6) Uani 1 1 d . . .
H6 H 0.3256 0.7323 0.8553 0.044 Uiso 1 1 calc R . .
C7 C 0.4584(3) 0.6088(3) 0.82456(12) 0.0384(7) Uani 1 1 d . . .
H7 H 0.4832 0.5966 0.8648 0.046 Uiso 1 1 calc R . .
C8 C 0.5358(3) 0.5341(3) 0.78524(14) 0.0369(6) Uani 1 1 d . . .
H8 H 0.6078 0.4912 0.8049 0.044 Uiso 1 1 calc R . .
C9 C 0.8267(2) 0.8400(2) 0.72944(9) 0.0167(4) Uani 1 1 d . . .
H9 H 0.8833 0.7596 0.7314 0.020 Uiso 1 1 calc R . .
C10 C 0.7795(2) 0.7209(2) 0.61202(9) 0.0200(4) Uani 1 1 d . . .
C11 C 0.8966(3) 0.6494(3) 0.61812(11) 0.0305(5) Uani 1 1 d . . .
H11 H 0.9698 0.6809 0.6488 0.037 Uiso 1 1 calc R . .
C12 C 0.9085(4) 0.5319(3) 0.57987(13) 0.0413(7) Uani 1 1 d . . .
H12 H 0.9883 0.4826 0.5850 0.050 Uiso 1 1 calc R . .
C13 C 0.8048(4) 0.4875(3) 0.53480(13) 0.0412(7) Uani 1 1 d . . .
H13 H 0.8129 0.4076 0.5086 0.049 Uiso 1 1 calc R . .
C14 C 0.6892(3) 0.5584(3) 0.52745(12) 0.0403(7) Uani 1 1 d . . .
H14 H 0.6185 0.5283 0.4957 0.048 Uiso 1 1 calc R . .
C15 C 0.6746(3) 0.6747(3) 0.56643(11) 0.0309(5) Uani 1 1 d . . .
H15 H 0.5932 0.7218 0.5617 0.037 Uiso 1 1 calc R . .
C16 C 0.8892(2) 1.0125(2) 0.62145(9) 0.0193(4) Uani 1 1 d . . .
C17 C 0.8512(3) 1.0309(3) 0.56240(10) 0.0286(5) Uani 1 1 d . . .
H17 H 0.7662 0.9745 0.5434 0.034 Uiso 1 1 calc R . .
C18 C 0.9364(3) 1.1305(3) 0.53138(11) 0.0343(6) Uani 1 1 d . . .
H18 H 0.9098 1.1423 0.4913 0.041 Uiso 1 1 calc R . .
C19 C 1.0598(3) 1.2123(3) 0.55884(13) 0.0345(6) Uani 1 1 d . . .
H19 H 1.1177 1.2813 0.5377 0.041 Uiso 1 1 calc R . .
C20 C 1.0994(3) 1.1947(3) 0.61644(13) 0.0350(6) Uani 1 1 d . . .
H20 H 1.1844 1.2518 0.6352 0.042 Uiso 1 1 calc R . .
C21 C 1.0152(3) 1.0930(3) 0.64780(11) 0.0271(5) Uani 1 1 d . . .
H21 H 1.0448 1.0791 0.6874 0.033 Uiso 1 1 calc R . .
C22 C 0.9298(2) 0.8699(2) 0.84985(9) 0.0202(4) Uani 1 1 d . . .
C23 C 0.9153(3) 0.7216(3) 0.84814(10) 0.0273(5) Uani 1 1 d . . .
H23 H 0.8612 0.6654 0.8159 0.033 Uiso 1 1 calc R . .
C24 C 0.9784(3) 0.6541(3) 0.89276(12) 0.0385(6) Uani 1 1 d . . .
H24 H 0.9687 0.5528 0.8906 0.046 Uiso 1 1 calc R . .
C25 C 1.0556(3) 0.7351(4) 0.94037(12) 0.0417(7) Uani 1 1 d . . .
H25 H 1.0982 0.6895 0.9712 0.050 Uiso 1 1 calc R . .
C26 C 1.0705(3) 0.8823(4) 0.94297(11) 0.0382(6) Uani 1 1 d . . .
H26 H 1.1240 0.9377 0.9756 0.046 Uiso 1 1 calc R . .
C27 C 1.0078(3) 0.9506(3) 0.89813(10) 0.0293(5) Uani 1 1 d . . .
H27 H 1.0182 1.0520 0.9005 0.035 Uiso 1 1 calc R . .
C28 C 0.9253(2) 1.1308(2) 0.78767(10) 0.0205(4) Uani 1 1 d . . .
C29 C 1.0761(3) 1.1686(3) 0.79635(11) 0.0276(5) Uani 1 1 d . . .
H29 H 1.1322 1.1018 0.8107 0.033 Uiso 1 1 calc R . .
C30 C 1.1441(3) 1.3042(3) 0.78389(14) 0.0386(7) Uani 1 1 d . . .
H30 H 1.2465 1.3299 0.7904 0.046 Uiso 1 1 calc R . .
C31 C 1.0652(3) 1.4012(3) 0.76230(15) 0.0426(7) Uani 1 1 d . . .
H31 H 1.1127 1.4933 0.7539 0.051 Uiso 1 1 calc R . .
C32 C 0.9152(3) 1.3643(3) 0.75279(14) 0.0378(6) Uani 1 1 d . . .
H32 H 0.8604 1.4309 0.7374 0.045 Uiso 1 1 calc R . .
C33 C 0.8457(3) 1.2302(3) 0.76584(11) 0.0269(5) Uani 1 1 d . . .
H33 H 0.7431 1.2059 0.7598 0.032 Uiso 1 1 calc R . .
C34 C 0.3775(4) 0.9577(4) 0.57802(12) 0.0425(7) Uani 1 1 d . . .
H34A H 0.4301 0.9275 0.5445 0.064 Uiso 1 1 calc R . .
H34B H 0.3178 1.0277 0.5658 0.064 Uiso 1 1 calc R . .
H34C H 0.3149 0.8744 0.5915 0.064 Uiso 1 1 calc R . .
C35 C 0.6142(4) 1.2075(3) 0.61317(13) 0.0388(7) Uani 1 1 d . . .
H35A H 0.7000 1.2414 0.6400 0.058 Uiso 1 1 calc R . .
H35B H 0.5523 1.2813 0.6124 0.058 Uiso 1 1 calc R . .
H35C H 0.6448 1.1874 0.5733 0.058 Uiso 1 1 calc R . .
C36 C 0.4114(3) 1.1000(3) 0.70374(11) 0.0281(5) Uani 1 1 d . . .
H36A H 0.3368 1.0210 0.7133 0.042 Uiso 1 1 calc R . .
H36B H 0.3654 1.1815 0.6935 0.042 Uiso 1 1 calc R . .
H36C H 0.4802 1.1285 0.7381 0.042 Uiso 1 1 calc R . .
C37 C 0.6152(3) 0.9073(3) 0.93656(11) 0.0360(6) Uani 1 1 d . . .
H37A H 0.5330 0.8285 0.9292 0.054 Uiso 1 1 calc R . .
H37B H 0.6068 0.9588 0.9747 0.054 Uiso 1 1 calc R . .
H37C H 0.7062 0.8687 0.9374 0.054 Uiso 1 1 calc R . .
C38 C 0.4296(3) 1.0794(3) 0.86620(12) 0.0321(5) Uani 1 1 d . . .
H38A H 0.4321 1.1566 0.8394 0.048 Uiso 1 1 calc R . .
H38B H 0.3976 1.1110 0.9046 0.048 Uiso 1 1 calc R . .
H38C H 0.3617 0.9953 0.8493 0.048 Uiso 1 1 calc R . .
C39 C 0.7347(3) 1.2039(3) 0.90382(12) 0.0335(6) Uani 1 1 d . . .
H39A H 0.8350 1.1871 0.9093 0.050 Uiso 1 1 calc R . .
H39B H 0.7025 1.2386 0.9417 0.050 Uiso 1 1 calc R . .
H39C H 0.7298 1.2756 0.8749 0.050 Uiso 1 1 calc R . .
C100 C 0.2415(8) 0.3805(8) 0.9498(3) 0.0807(18) Uiso 0.75 1 d P . .
C101 C 0.3106(9) 0.4714(9) 0.9817(4) 0.098(2) Uiso 0.75 1 d P . .
C102 C 0.4273(8) 0.4117(8) 0.9665(3) 0.0523(16) Uiso 0.50 1 d P . .
C103 C 0.5183(8) 0.5321(6) 1.0071(3) 0.0429(14) 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'
Lu Lu -0.4720 5.8584 '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 Lu N1 90.16(6) . . ?
N2 Lu C5 105.16(8) . . ?
N1 Lu C5 118.93(9) . . ?
N2 Lu C4 130.93(8) . . ?
N1 Lu C4 95.30(8) . . ?
C5 Lu C4 32.58(10) . . ?
N2 Lu C8 109.43(8) . . ?
N1 Lu C8 145.20(8) . . ?
C5 Lu C8 84.28(10) . . ?
C4 Lu C8 92.92(9) . . ?
N2 Lu C1 136.01(8) . . ?
N1 Lu C1 115.66(8) . . ?
C5 Lu C1 93.03(9) . . ?
C4 Lu C1 83.88(9) . . ?
C8 Lu C1 32.10(10) . . ?
N2 Lu C6 91.51(7) . . ?
N1 Lu C6 149.41(9) . . ?
C5 Lu C6 31.99(10) . . ?
C4 Lu C6 61.37(10) . . ?
C8 Lu C6 61.20(10) . . ?
C1 Lu C6 83.20(9) . . ?
N2 Lu C7 93.24(8) . . ?
N1 Lu C7 176.41(7) . . ?
C5 Lu C7 61.19(11) . . ?
C4 Lu C7 83.33(10) . . ?
C8 Lu C7 31.93(10) . . ?
C1 Lu C7 60.93(10) . . ?
C6 Lu C7 31.71(10) . . ?
N2 Lu C2 166.93(8) . . ?
N1 Lu C2 94.70(8) . . ?
C5 Lu C2 83.07(9) . . ?
C4 Lu C2 60.73(10) . . ?
C8 Lu C2 60.63(10) . . ?
C1 Lu C2 31.66(10) . . ?
C6 Lu C2 90.47(9) . . ?
C7 Lu C2 81.74(9) . . ?
N2 Lu C3 161.48(8) . . ?
N1 Lu C3 86.88(8) . . ?
C5 Lu C3 61.02(10) . . ?
C4 Lu C3 31.64(10) . . ?
C8 Lu C3 82.64(9) . . ?
C1 Lu C3 60.66(10) . . ?
C6 Lu C3 81.97(9) . . ?
C7 Lu C3 90.24(9) . . ?
C2 Lu C3 31.40(10) . . ?
N2 Lu C9 65.37(6) . . ?
N1 Lu C9 63.30(6) . . ?
C5 Lu C9 170.52(8) . . ?
C4 Lu C9 155.13(8) . . ?
C8 Lu C9 98.30(8) . . ?
C1 Lu C9 93.93(8) . . ?
C6 Lu C9 143.13(8) . . ?
C7 Lu C9 117.23(9) . . ?
C2 Lu C9 106.17(8) . . ?
C3 Lu C9 128.27(8) . . ?
N2 Lu P1 85.38(4) . . ?
N1 Lu P1 31.23(5) . . ?
C5 Lu P1 149.63(8) . . ?
C4 Lu P1 121.13(7) . . ?
C8 Lu P1 119.57(7) . . ?
C1 Lu P1 98.81(7) . . ?
C6 Lu P1 176.87(6) . . ?
C7 Lu P1 148.01(8) . . ?
C2 Lu P1 92.49(6) . . ?
C3 Lu P1 101.11(7) . . ?
C9 Lu P1 34.61(4) . . ?
N1 P1 C9 106.57(10) . . ?
N1 P1 C16 113.14(10) . . ?
C9 P1 C16 118.79(11) . . ?
N1 P1 C10 114.10(10) . . ?
C9 P1 C10 104.49(10) . . ?
C16 P1 C10 99.54(9) . . ?
N1 P1 Lu 50.36(7) . . ?
C9 P1 Lu 61.84(7) . . ?
C16 P1 Lu 156.35(7) . . ?
C10 P1 Lu 103.04(7) . . ?
N2 P2 C9 108.68(9) . . ?
N2 P2 C28 110.34(10) . . ?
C9 P2 C28 112.71(10) . . ?
N2 P2 C22 112.27(10) . . ?
C9 P2 C22 105.06(10) . . ?
C28 P2 C22 107.72(11) . . ?
N2 P2 Lu 48.39(6) . . ?
C9 P2 Lu 60.88(7) . . ?
C28 P2 Lu 135.26(8) . . ?
C22 P2 Lu 116.75(8) . . ?
N1 Si1 C34 110.30(12) . . ?
N1 Si1 C35 116.59(12) . . ?
C34 Si1 C35 107.20(15) . . ?
N1 Si1 C36 106.86(10) . . ?
C34 Si1 C36 109.90(14) . . ?
C35 Si1 C36 105.81(12) . . ?
N2 Si2 C38 110.57(10) . . ?
N2 Si2 C37 110.51(11) . . ?
C38 Si2 C37 109.10(13) . . ?
N2 Si2 C39 114.15(10) . . ?
C38 Si2 C39 105.22(13) . . ?
C37 Si2 C39 107.03(14) . . ?
P1 N1 Si1 138.38(12) . . ?
P1 N1 Lu 98.41(9) . . ?
Si1 N1 Lu 121.74(9) . . ?
P2 N2 Si2 124.97(10) . . ?
P2 N2 Lu 100.59(8) . . ?
Si2 N2 Lu 131.45(9) . . ?
C2 C1 C8 134.7(3) . . ?
C2 C1 Lu 75.95(15) . . ?
C8 C1 Lu 73.92(15) . . ?
C1 C2 C3 135.6(2) . . ?
C1 C2 Lu 72.39(14) . . ?
C3 C2 Lu 74.65(14) . . ?
C4 C3 C2 135.1(3) . . ?
C4 C3 Lu 71.96(14) . . ?
C2 C3 Lu 73.94(14) . . ?
C3 C4 C5 134.4(3) . . ?
C3 C4 Lu 76.40(15) . . ?
C5 C4 Lu 73.26(14) . . ?
C6 C5 C4 134.3(3) . . ?
C6 C5 Lu 75.15(15) . . ?
C4 C5 Lu 74.16(15) . . ?
C5 C6 C7 135.8(3) . . ?
C5 C6 Lu 72.86(15) . . ?
C7 C6 Lu 74.88(15) . . ?
C6 C7 C8 134.9(3) . . ?
C6 C7 Lu 73.41(15) . . ?
C8 C7 Lu 72.67(15) . . ?
C1 C8 C7 134.6(3) . . ?
C1 C8 Lu 73.98(15) . . ?
C7 C8 Lu 75.39(15) . . ?
P1 C9 P2 124.92(12) . . ?
P1 C9 Lu 83.55(8) . . ?
P2 C9 Lu 84.50(8) . . ?
C11 C10 C15 118.8(2) . . ?
C11 C10 P1 120.53(18) . . ?
C15 C10 P1 120.51(19) . . ?
C10 C11 C12 120.9(3) . . ?
C13 C12 C11 119.9(3) . . ?
C12 C13 C14 120.1(2) . . ?
C13 C14 C15 120.5(3) . . ?
C10 C15 C14 119.9(3) . . ?
C21 C16 C17 118.8(2) . . ?
C21 C16 P1 123.22(17) . . ?
C17 C16 P1 118.01(18) . . ?
C18 C17 C16 120.6(2) . . ?
C19 C18 C17 119.8(2) . . ?
C20 C19 C18 120.3(2) . . ?
C19 C20 C21 120.2(3) . . ?
C16 C21 C20 120.2(2) . . ?
C23 C22 C27 118.5(2) . . ?
C23 C22 P2 119.04(16) . . ?
C27 C22 P2 122.02(19) . . ?
C24 C23 C22 121.2(2) . . ?
C25 C24 C23 119.7(3) . . ?
C26 C25 C24 119.8(3) . . ?
C25 C26 C27 120.6(2) . . ?
C22 C27 C26 120.0(3) . . ?
C33 C28 C29 118.9(2) . . ?
C33 C28 P2 117.51(17) . . ?
C29 C28 P2 123.10(18) . . ?
C30 C29 C28 119.9(2) . . ?
C31 C30 C29 120.8(2) . . ?
C30 C31 C32 119.8(3) . . ?
C33 C32 C31 120.0(3) . . ?
C32 C33 C28 120.5(2) . . ?
C101 C100 C102 51.5(6) . . ?
C100 C101 C102 86.0(7) . . ?
C100 C101 C103 117.9(7) . 2_667 ?
C102 C101 C103 32.3(4) . 2_667 ?
C100 C101 C103 136.6(8) . . ?
C102 C101 C103 50.7(5) . . ?
C103 C101 C103 19.2(4) 2_667 . ?
C103 C102 C101 90.4(9) 2_667 . ?
C103 C102 C103 9.7(8) 2_667 . ?
C101 C102 C103 86.1(6) . . ?
C103 C102 C100 132.4(9) 2_667 . ?
C101 C102 C100 42.5(5) . . ?
C103 C102 C100 128.6(6) . . ?
C103 C103 C102 158.2(18) 2_667 2_667 ?
C103 C103 C102 12.0(10) 2_667 . ?
C102 C103 C102 170.3(8) 2_667 . ?
C103 C103 C101 111.3(14) 2_667 2_667 ?
C102 C103 C101 57.3(7) 2_667 2_667 ?
C102 C103 C101 118.0(6) . 2_667 ?
C103 C103 C101 49.5(11) 2_667 . ?
C102 C103 C101 140.2(9) 2_667 . ?
C102 C103 C101 43.2(4) . . ?
C101 C103 C101 160.8(4) 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
Lu N2 2.3340(17) . ?
Lu N1 2.3628(18) . ?
Lu C5 2.525(3) . ?
Lu C4 2.537(3) . ?
Lu C8 2.538(3) . ?
Lu C1 2.539(3) . ?
Lu C6 2.554(2) . ?
Lu C7 2.573(3) . ?
Lu C2 2.584(2) . ?
Lu C3 2.593(2) . ?
Lu C9 2.693(2) . ?
Lu P1 3.0355(7) . ?
P1 N1 1.5912(19) . ?
P1 C9 1.735(2) . ?
P1 C16 1.822(2) . ?
P1 C10 1.823(2) . ?
P2 N2 1.6087(18) . ?
P2 C9 1.751(2) . ?
P2 C28 1.814(2) . ?
P2 C22 1.819(2) . ?
Si1 N1 1.726(2) . ?
Si1 C34 1.866(3) . ?
Si1 C35 1.867(3) . ?
Si1 C36 1.870(2) . ?
Si2 N2 1.7407(17) . ?
Si2 C38 1.859(3) . ?
Si2 C37 1.869(3) . ?
Si2 C39 1.874(3) . ?
C1 C2 1.398(4) . ?
C1 C8 1.404(4) . ?
C2 C3 1.401(4) . ?
C3 C4 1.400(4) . ?
C4 C5 1.420(4) . ?
C5 C6 1.400(4) . ?
C6 C7 1.401(5) . ?
C7 C8 1.406(4) . ?
C10 C11 1.386(3) . ?
C10 C15 1.388(3) . ?
C11 C12 1.393(3) . ?
C12 C13 1.370(5) . ?
C13 C14 1.373(5) . ?
C14 C15 1.400(3) . ?
C16 C21 1.381(3) . ?
C16 C17 1.398(3) . ?
C17 C18 1.385(4) . ?
C18 C19 1.377(4) . ?
C19 C20 1.369(4) . ?
C20 C21 1.397(3) . ?
C22 C23 1.392(3) . ?
C22 C27 1.397(3) . ?
C23 C24 1.390(4) . ?
C24 C25 1.384(4) . ?
C25 C26 1.379(5) . ?
C26 C27 1.396(4) . ?
C28 C33 1.394(3) . ?
C28 C29 1.398(3) . ?
C29 C30 1.393(4) . ?
C30 C31 1.370(5) . ?
C31 C32 1.391(4) . ?
C32 C33 1.390(3) . ?
C100 C101 1.173(10) . ?
C100 C102 1.732(10) . ?
C101 C102 1.359(11) . ?
C101 C103 1.614(11) 2_667 ?
C101 C103 1.979(11) . ?
C102 C103 0.862(8) 2_667 ?
C102 C103 1.535(10) . ?
C103 C103 0.700(11) 2_667 ?
C103 C102 0.862(8) 2_667 ?
C103 C101 1.614(11) 2_667 ?
