#------------------------------------------------------------------------------
#$Date: 2016-03-27 05:05:50 +0300 (Sun, 27 Mar 2016) $
#$Revision: 180535 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/04/4060419.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_4060419
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 Er N2 P2 Si2'
_chemical_formula_weight         864.23
_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                93.345(4)
_cell_angle_beta                 92.875(4)
_cell_angle_gamma                98.921(4)
_cell_formula_units_Z            2
_cell_length_a                   9.3791(17)
_cell_length_b                   9.4895(17)
_cell_length_c                   22.693(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1988.3(6)
_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 0.978
_diffrn_measured_fraction_theta_max 0.978
_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    0.0301
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_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            24365
_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    2.282
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.746431
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             882
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .36
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.252
_refine_diff_density_min         -0.901
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         11911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0307P)²+1.4800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                10569
_reflns_number_total             11911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0491138si20041116_113831.cif
_cod_data_source_block           1c
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C41.50 H52 Er N2 P2 Si2'
_cod_database_code               4060419
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
Er Er 0.537141(11) 0.779060(11) 0.743660(4) 0.01756(3) Uani 1 1 d . . .
P1 P 0.77123(6) 0.88363(6) 0.65945(2) 0.01652(10) Uani 1 1 d . . .
P2 P 0.82992(6) 0.95321(6) 0.79434(2) 0.01636(10) Uani 1 1 d . . .
Si1 Si 0.51069(8) 1.04487(8) 0.63908(3) 0.02373(13) Uani 1 1 d . . .
Si2 Si 0.61555(7) 1.03524(8) 0.87702(3) 0.02207(13) Uani 1 1 d . . .
N1 N 0.6118(2) 0.9205(2) 0.66341(8) 0.0192(4) Uani 1 1 d . . .
N2 N 0.6659(2) 0.9586(2) 0.81129(8) 0.0175(3) Uani 1 1 d . . .
C1 C 0.5262(3) 0.5092(3) 0.72361(14) 0.0349(6) Uani 1 1 d . . .
H1 H 0.5958 0.4531 0.7107 0.042 Uiso 1 1 calc R . .
C2 C 0.4413(3) 0.5483(3) 0.67633(13) 0.0367(6) Uani 1 1 d . . .
H2 H 0.4610 0.5056 0.6393 0.044 Uiso 1 1 calc R . .
C3 C 0.3345(3) 0.6356(3) 0.67104(13) 0.0376(7) Uani 1 1 d . . .
H3 H 0.2978 0.6367 0.6313 0.045 Uiso 1 1 calc R . .
C4 C 0.2684(3) 0.7218(3) 0.71021(16) 0.0394(7) Uani 1 1 d . . .
H4 H 0.2056 0.7755 0.6904 0.047 Uiso 1 1 calc R . .
C5 C 0.2739(3) 0.7471(3) 0.77201(16) 0.0409(7) Uani 1 1 d . . .
H5 H 0.2127 0.8126 0.7846 0.049 Uiso 1 1 calc R . .
C6 C 0.3497(3) 0.6968(3) 0.81928(14) 0.0405(7) Uani 1 1 d . . .
H6 H 0.3222 0.7310 0.8565 0.049 Uiso 1 1 calc R . .
C7 C 0.4558(4) 0.6089(3) 0.82524(13) 0.0415(7) Uani 1 1 d . . .
H7 H 0.4824 0.5972 0.8654 0.050 Uiso 1 1 calc R . .
C8 C 0.5325(3) 0.5334(3) 0.78535(14) 0.0382(7) Uani 1 1 d . . .
H8 H 0.6044 0.4892 0.8047 0.046 Uiso 1 1 calc R . .
C9 C 0.8277(2) 0.8429(2) 0.72967(9) 0.0176(4) Uani 1 1 d . . .
H9 H 0.8842 0.7620 0.7318 0.021 Uiso 1 1 calc R . .
C10 C 0.7803(3) 0.7237(2) 0.61244(10) 0.0209(4) Uani 1 1 d . . .
C11 C 0.8972(3) 0.6503(3) 0.61839(12) 0.0318(6) Uani 1 1 d . . .
H11 H 0.9704 0.6808 0.6489 0.038 Uiso 1 1 calc R . .
C12 C 0.9082(4) 0.5332(3) 0.58029(14) 0.0420(7) Uani 1 1 d . . .
H12 H 0.9878 0.4832 0.5851 0.050 Uiso 1 1 calc R . .
C13 C 0.8043(4) 0.4899(3) 0.53575(14) 0.0413(7) Uani 1 1 d . . .
H13 H 0.8120 0.4098 0.5096 0.050 Uiso 1 1 calc R . .
C14 C 0.6889(3) 0.5614(4) 0.52855(13) 0.0417(7) Uani 1 1 d . . .
H14 H 0.6180 0.5314 0.4971 0.050 Uiso 1 1 calc R . .
C15 C 0.6751(3) 0.6777(3) 0.56700(11) 0.0313(6) Uani 1 1 d . . .
H15 H 0.5939 0.7257 0.5622 0.038 Uiso 1 1 calc R . .
C16 C 0.8889(2) 1.0140(2) 0.62113(10) 0.0201(4) Uani 1 1 d . . .
C17 C 0.8509(3) 1.0322(3) 0.56177(11) 0.0286(5) Uani 1 1 d . . .
H17 H 0.7666 0.9760 0.5428 0.034 Uiso 1 1 calc R . .
C18 C 0.9354(3) 1.1315(3) 0.53062(12) 0.0337(6) Uani 1 1 d . . .
H18 H 0.9087 1.1435 0.4905 0.040 Uiso 1 1 calc R . .
C19 C 1.0577(3) 1.2126(3) 0.55774(13) 0.0338(6) Uani 1 1 d . . .
H19 H 1.1150 1.2814 0.5364 0.041 Uiso 1 1 calc R . .
C20 C 1.0978(3) 1.1948(3) 0.61568(14) 0.0357(6) Uani 1 1 d . . .
H20 H 1.1824 1.2513 0.6342 0.043 Uiso 1 1 calc R . .
C21 C 1.0144(3) 1.0941(3) 0.64724(11) 0.0278(5) Uani 1 1 d . . .
H21 H 1.0439 1.0803 0.6869 0.033 Uiso 1 1 calc R . .
C22 C 0.9301(2) 0.8706(3) 0.85001(10) 0.0208(4) Uani 1 1 d . . .
C23 C 0.9138(3) 0.7223(3) 0.84862(11) 0.0277(5) Uani 1 1 d . . .
H23 H 0.8597 0.6669 0.8165 0.033 Uiso 1 1 calc R . .
C24 C 0.9754(3) 0.6541(3) 0.89354(13) 0.0373(6) Uani 1 1 d . . .
H24 H 0.9642 0.5527 0.8917 0.045 Uiso 1 1 calc R . .
C25 C 1.0532(3) 0.7337(4) 0.94099(12) 0.0407(7) Uani 1 1 d . . .
H25 H 1.0948 0.6870 0.9719 0.049 Uiso 1 1 calc R . .
C26 C 1.0702(3) 0.8808(4) 0.94330(12) 0.0392(7) Uani 1 1 d . . .
H26 H 1.1236 0.9355 0.9758 0.047 Uiso 1 1 calc R . .
C27 C 1.0090(3) 0.9496(3) 0.89796(11) 0.0295(5) Uani 1 1 d . . .
H27 H 1.0213 1.0511 0.8998 0.035 Uiso 1 1 calc R . .
C28 C 0.9247(2) 1.1321(2) 0.78746(11) 0.0221(4) Uani 1 1 d . . .
C29 C 1.0758(3) 1.1691(3) 0.79592(12) 0.0291(5) Uani 1 1 d . . .
H29 H 1.1319 1.1015 0.8100 0.035 Uiso 1 1 calc R . .
C30 C 1.1427(3) 1.3040(3) 0.78369(14) 0.0376(6) Uani 1 1 d . . .
H30 H 1.2446 1.3289 0.7902 0.045 Uiso 1 1 calc R . .
C31 C 1.0634(3) 1.4021(3) 0.76227(16) 0.0426(7) Uani 1 1 d . . .
H31 H 1.1104 1.4940 0.7537 0.051 Uiso 1 1 calc R . .
C32 C 0.9136(3) 1.3662(3) 0.75318(15) 0.0371(6) Uani 1 1 d . . .
H32 H 0.8585 1.4335 0.7381 0.045 Uiso 1 1 calc R . .
C33 C 0.8451(3) 1.2322(3) 0.76609(12) 0.0273(5) Uani 1 1 d . . .
H33 H 0.7430 1.2086 0.7603 0.033 Uiso 1 1 calc R . .
C34 C 0.3778(4) 0.9632(4) 0.57772(12) 0.0423(7) Uani 1 1 d . . .
H34A H 0.4298 0.9338 0.5439 0.064 Uiso 1 1 calc R . .
H34B H 0.3175 1.0335 0.5658 0.064 Uiso 1 1 calc R . .
H34C H 0.3164 0.8796 0.5913 0.064 Uiso 1 1 calc R . .
C35 C 0.6129(4) 1.2115(3) 0.61291(14) 0.0401(7) Uani 1 1 d . . .
H35A H 0.6966 1.2461 0.6404 0.060 Uiso 1 1 calc R . .
H35B H 0.5499 1.2846 0.6111 0.060 Uiso 1 1 calc R . .
H35C H 0.6460 1.1914 0.5735 0.060 Uiso 1 1 calc R . .
C36 C 0.4120(3) 1.1021(3) 0.70374(11) 0.0289(5) Uani 1 1 d . . .
H36A H 0.3379 1.0230 0.7129 0.043 Uiso 1 1 calc R . .
H36B H 0.3660 1.1844 0.6941 0.043 Uiso 1 1 calc R . .
H36C H 0.4805 1.1287 0.7381 0.043 Uiso 1 1 calc R . .
C37 C 0.6183(3) 0.9087(3) 0.93701(11) 0.0356(6) Uani 1 1 d . . .
H37A H 0.5407 0.8271 0.9284 0.053 Uiso 1 1 calc R . .
H37B H 0.6039 0.9579 0.9749 0.053 Uiso 1 1 calc R . .
H37C H 0.7118 0.8747 0.9392 0.053 Uiso 1 1 calc R . .
C38 C 0.4305(3) 1.0814(3) 0.86673(12) 0.0324(6) Uani 1 1 d . . .
H38A H 0.4328 1.1613 0.8411 0.049 Uiso 1 1 calc R . .
H38B H 0.3965 1.1089 0.9052 0.049 Uiso 1 1 calc R . .
H38C H 0.3648 0.9982 0.8484 0.049 Uiso 1 1 calc R . .
C39 C 0.7349(3) 1.2055(3) 0.90469(12) 0.0344(6) Uani 1 1 d . . .
H39A H 0.8351 1.1885 0.9094 0.052 Uiso 1 1 calc R . .
H39B H 0.7036 1.2387 0.9429 0.052 Uiso 1 1 calc R . .
H39C H 0.7284 1.2783 0.8762 0.052 Uiso 1 1 calc R . .
C100 C 0.2434(7) 0.3799(7) 0.9493(3) 0.0735(16) Uiso 0.75 1 d P . .
C101 C 0.3083(9) 0.4693(9) 0.9802(4) 0.090(2) Uiso 0.75 1 d P . .
C102 C 0.4291(8) 0.4136(8) 0.9676(3) 0.0490(16) Uiso 0.50 1 d P . .
C103 C 0.5199(8) 0.5322(7) 1.0067(3) 0.0415(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'
Er Er -0.2586 4.9576 '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 Er N1 89.82(7) . . ?
N2 Er C5 106.20(9) . . ?
N1 Er C5 120.30(9) . . ?
N2 Er C1 136.22(8) . . ?
N1 Er C1 115.21(8) . . ?
C5 Er C1 91.86(9) . . ?
N2 Er C4 131.39(9) . . ?
N1 Er C4 96.83(9) . . ?
C5 Er C4 31.87(11) . . ?
C1 Er C4 83.03(10) . . ?
N2 Er C8 109.93(8) . . ?
N1 Er C8 144.29(9) . . ?
C5 Er C8 83.42(10) . . ?
C1 Er C8 31.80(10) . . ?
C4 Er C8 91.86(10) . . ?
N2 Er C6 92.61(8) . . ?
N1 Er C6 150.63(10) . . ?
C5 Er C6 31.68(11) . . ?
C1 Er C6 82.26(10) . . ?
C4 Er C6 60.40(11) . . ?
C8 Er C6 60.68(11) . . ?
N2 Er C7 93.94(8) . . ?
N1 Er C7 175.68(9) . . ?
C5 Er C7 60.61(12) . . ?
C1 Er C7 60.51(10) . . ?
C4 Er C7 82.28(10) . . ?
C8 Er C7 31.84(11) . . ?
C6 Er C7 31.39(11) . . ?
N2 Er C2 166.94(9) . . ?
N1 Er C2 94.61(8) . . ?
C5 Er C2 82.12(10) . . ?
C1 Er C2 31.55(10) . . ?
C4 Er C2 60.28(11) . . ?
C8 Er C2 60.29(10) . . ?
C6 Er C2 89.55(9) . . ?
C7 Er C2 81.27(10) . . ?
N2 Er C3 161.75(9) . . ?
N1 Er C3 87.65(8) . . ?
C5 Er C3 60.24(11) . . ?
C1 Er C3 60.18(10) . . ?
C4 Er C3 31.51(11) . . ?
C8 Er C3 81.92(10) . . ?
C6 Er C3 81.00(10) . . ?
C7 Er C3 89.44(10) . . ?
C2 Er C3 31.14(10) . . ?
N2 Er C9 64.46(6) . . ?
N1 Er C9 62.60(6) . . ?
C5 Er C9 170.61(9) . . ?
C1 Er C9 94.62(8) . . ?
C4 Er C9 156.12(9) . . ?
C8 Er C9 98.59(8) . . ?
C6 Er C9 143.04(9) . . ?
C7 Er C9 117.26(9) . . ?
C2 Er C9 106.88(8) . . ?
C3 Er C9 129.06(9) . . ?
N2 Er P1 84.53(5) . . ?
N1 Er P1 30.87(5) . . ?
C5 Er P1 150.62(8) . . ?
C1 Er P1 98.99(7) . . ?
C4 Er P1 122.50(8) . . ?
C8 Er P1 119.22(8) . . ?
C6 Er P1 176.90(7) . . ?
C7 Er P1 147.47(8) . . ?
C2 Er P1 92.98(7) . . ?
C3 Er P1 102.08(7) . . ?
C9 Er P1 34.22(4) . . ?
N1 P1 C9 107.14(10) . . ?
N1 P1 C16 112.92(10) . . ?
C9 P1 C16 118.65(11) . . ?
N1 P1 C10 113.60(11) . . ?
C9 P1 C10 104.67(11) . . ?
C16 P1 C10 99.58(10) . . ?
N1 P1 Er 50.41(7) . . ?
C9 P1 Er 62.36(7) . . ?
C16 P1 Er 156.37(7) . . ?
C10 P1 Er 102.84(7) . . ?
N2 P2 C9 109.07(10) . . ?
N2 P2 C28 110.24(11) . . ?
C9 P2 C28 112.58(11) . . ?
N2 P2 C22 112.02(10) . . ?
C9 P2 C22 104.95(11) . . ?
C28 P2 C22 107.91(11) . . ?
N2 P2 Er 48.33(7) . . ?
C9 P2 Er 61.33(7) . . ?
C28 P2 Er 135.20(8) . . ?
C22 P2 Er 116.60(8) . . ?
N1 Si1 C35 116.53(13) . . ?
N1 Si1 C34 110.37(13) . . ?
C35 Si1 C34 107.40(16) . . ?
N1 Si1 C36 106.53(11) . . ?
C35 Si1 C36 106.13(13) . . ?
C34 Si1 C36 109.69(14) . . ?
N2 Si2 C38 110.11(11) . . ?
N2 Si2 C37 110.36(12) . . ?
C38 Si2 C37 109.23(14) . . ?
N2 Si2 C39 114.25(11) . . ?
C38 Si2 C39 105.81(14) . . ?
C37 Si2 C39 106.86(14) . . ?
P1 N1 Si1 139.07(12) . . ?
P1 N1 Er 98.71(9) . . ?
Si1 N1 Er 120.57(9) . . ?
P2 N2 Si2 125.25(11) . . ?
P2 N2 Er 101.05(9) . . ?
Si2 N2 Er 130.64(10) . . ?
C8 C1 C2 135.1(3) . . ?
C8 C1 Er 74.17(16) . . ?
C2 C1 Er 76.08(16) . . ?
C3 C2 C1 134.9(3) . . ?
C3 C2 Er 74.48(16) . . ?
C1 C2 Er 72.37(16) . . ?
C2 C3 C4 135.5(3) . . ?
C2 C3 Er 74.38(16) . . ?
C4 C3 Er 72.38(16) . . ?
C3 C4 C5 134.7(3) . . ?
C3 C4 Er 76.11(16) . . ?
C5 C4 Er 74.03(16) . . ?
C6 C5 C4 134.1(3) . . ?
C6 C5 Er 75.11(16) . . ?
C4 C5 Er 74.10(16) . . ?
C7 C6 C5 135.9(3) . . ?
C7 C6 Er 74.66(16) . . ?
C5 C6 Er 73.21(16) . . ?
C6 C7 C8 134.9(3) . . ?
C6 C7 Er 73.94(16) . . ?
C8 C7 Er 72.85(15) . . ?
C1 C8 C7 134.3(3) . . ?
C1 C8 Er 74.03(16) . . ?
C7 C8 Er 75.31(16) . . ?
P1 C9 P2 125.25(13) . . ?
P1 C9 Er 83.42(8) . . ?
P2 C9 Er 84.57(8) . . ?
C15 C10 C11 118.5(2) . . ?
C15 C10 P1 120.5(2) . . ?
C11 C10 P1 120.88(19) . . ?
C12 C11 C10 120.8(3) . . ?
C13 C12 C11 119.9(3) . . ?
C12 C13 C14 120.4(3) . . ?
C13 C14 C15 120.5(3) . . ?
C10 C15 C14 119.9(3) . . ?
C21 C16 C17 118.7(2) . . ?
C21 C16 P1 123.35(18) . . ?
C17 C16 P1 117.95(19) . . ?
C18 C17 C16 120.5(3) . . ?
C19 C18 C17 120.0(3) . . ?
C18 C19 C20 120.3(2) . . ?
C19 C20 C21 120.1(3) . . ?
C16 C21 C20 120.3(2) . . ?
C23 C22 C27 118.4(2) . . ?
C23 C22 P2 118.79(18) . . ?
C27 C22 P2 122.34(19) . . ?
C24 C23 C22 121.0(2) . . ?
C25 C24 C23 120.1(3) . . ?
C26 C25 C24 119.9(3) . . ?
C25 C26 C27 120.2(3) . . ?
C22 C27 C26 120.5(3) . . ?
C33 C28 C29 118.9(2) . . ?
C33 C28 P2 117.53(18) . . ?
C29 C28 P2 123.1(2) . . ?
C30 C29 C28 120.0(3) . . ?
C31 C30 C29 120.7(3) . . ?
C30 C31 C32 119.8(3) . . ?
C33 C32 C31 120.0(3) . . ?
C32 C33 C28 120.5(2) . . ?
C101 C100 C102 51.0(5) . . ?
C100 C101 C102 88.1(7) . . ?
C100 C101 C103 118.5(8) . 2_667 ?
C102 C101 C103 30.8(4) . 2_667 ?
C100 C101 C103 136.2(7) . . ?
C102 C101 C103 48.1(5) . . ?
C103 C101 C103 18.4(4) 2_667 . ?
C103 C102 C101 92.7(9) 2_667 . ?
C103 C102 C103 10.1(8) 2_667 . ?
C101 C102 C103 89.9(6) . . ?
C103 C102 C100 133.0(10) 2_667 . ?
C101 C102 C100 40.9(4) . . ?
C103 C102 C100 130.8(6) . . ?
C103 C103 C102 158.0(18) 2_667 2_667 ?
C103 C103 C102 11.9(10) 2_667 . ?
C102 C103 C102 169.9(8) 2_667 . ?
C103 C103 C101 115.3(14) 2_667 2_667 ?
C102 C103 C101 56.6(8) 2_667 2_667 ?
C102 C103 C101 120.2(6) . 2_667 ?
C103 C103 C101 46.4(11) 2_667 . ?
C102 C103 C101 139.8(9) 2_667 . ?
C102 C103 C101 42.0(4) . . ?
C101 C103 C101 161.6(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
Er N2 2.3641(19) . ?
Er N1 2.3933(19) . ?
Er C5 2.560(3) . ?
Er C1 2.560(3) . ?
Er C4 2.561(3) . ?
Er C8 2.562(3) . ?
Er C6 2.584(3) . ?
Er C7 2.593(3) . ?
Er C2 2.607(3) . ?
Er C3 2.608(3) . ?
Er C9 2.737(2) . ?
Er P1 3.0697(7) . ?
P1 N1 1.594(2) . ?
P1 C9 1.738(2) . ?
P1 C16 1.817(2) . ?
P1 C10 1.819(2) . ?
P2 N2 1.6119(19) . ?
P2 C9 1.750(2) . ?
P2 C28 1.810(2) . ?
P2 C22 1.822(2) . ?
Si1 N1 1.723(2) . ?
Si1 C35 1.862(3) . ?
Si1 C34 1.869(3) . ?
Si1 C36 1.872(3) . ?
Si2 N2 1.7398(19) . ?
Si2 C38 1.862(3) . ?
Si2 C37 1.869(3) . ?
Si2 C39 1.872(3) . ?
C1 C8 1.403(4) . ?
C1 C2 1.406(4) . ?
C2 C3 1.400(5) . ?
C3 C4 1.404(5) . ?
C4 C5 1.406(5) . ?
C5 C6 1.404(5) . ?
C6 C7 1.401(5) . ?
C7 C8 1.414(5) . ?
C10 C15 1.393(3) . ?
C10 C11 1.393(4) . ?
C11 C12 1.387(4) . ?
C12 C13 1.367(5) . ?
C13 C14 1.371(5) . ?
C14 C15 1.393(4) . ?
C16 C21 1.383(4) . ?
C16 C17 1.404(3) . ?
C17 C18 1.385(4) . ?
C18 C19 1.374(4) . ?
C19 C20 1.377(4) . ?
C20 C21 1.394(4) . ?
C22 C23 1.390(4) . ?
C22 C27 1.395(3) . ?
C23 C24 1.388(3) . ?
C24 C25 1.385(4) . ?
C25 C26 1.377(5) . ?
C26 C27 1.396(4) . ?
C28 C33 1.389(3) . ?
C28 C29 1.406(3) . ?
C29 C30 1.386(4) . ?
C30 C31 1.373(5) . ?
C31 C32 1.395(4) . ?
C32 C33 1.387(4) . ?
C100 C101 1.144(10) . ?
C100 C102 1.746(10) . ?
C101 C102 1.358(10) . ?
C101 C103 1.626(11) 2_667 ?
C101 C103 2.031(11) . ?
C102 C103 0.833(8) 2_667 ?
C102 C103 1.512(11) . ?
C103 C103 0.707(12) 2_667 ?
C103 C102 0.833(8) 2_667 ?
C103 C101 1.626(11) 2_667 ?
