#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/26/7012693.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_7012693
loop_
_publ_author_name
'Avent, Anthony G.'
'Hitchcock, Peter B.'
'Khvostov, Alexei V.'
'Lappert, Michael F.'
'Protchenko, Andrey V.'
_publ_section_title
;
 Synthesis and structures of the ytterbium(ii) β-diketiminates
 [Yb{N(SiMe3)C(R2)C(H)C(R4)N(SiMe3)}2] (R2 = R4 =
 Ph, C6H4Me-4, or C6H4Ph-4; or R2 = C6H4Me-4, R4 =
 1-adamantyl)
;
_journal_issue                   6
_journal_name_full               'Dalton Transactions'
_journal_page_first              1070
_journal_paper_doi               10.1039/b300204g
_journal_year                    2003
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C42 H58 N4 Si4 Yb1'
_chemical_formula_sum            'C42 H58 N4 Si4 Yb'
_chemical_formula_weight         904.32
_chemical_name_common            sep501
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/cifdics/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1
_audit_creation_date             2001-09-11T14:37:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.340(5)
_cell_angle_beta                 108.799(5)
_cell_angle_gamma                100.987(6)
_cell_formula_units_Z            2
_cell_length_a                   13.1217(14)
_cell_length_b                   13.6826(15)
_cell_length_c                   14.1141(16)
_cell_measurement_reflns_used    11519
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.967
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     2235.5(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0793
_diffrn_reflns_av_unetI/netI     0.1128
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10932
_diffrn_reflns_theta_full        21.94
_diffrn_reflns_theta_max         21.94
_diffrn_reflns_theta_min         3.75
_exptl_absorpt_coefficient_mu    2.231
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.867
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5369
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0667
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0614P)²+14.6008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1651
_reflns_number_gt                4096
_reflns_number_total             5369
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300204g.txt
_cod_data_source_block           sep501
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012693
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 0.89054(5) 0.62549(4) 0.74134(4) 0.0349(2) Uani 1 1 d . . .
Si1 Si 0.8426(3) 0.3631(3) 0.6240(3) 0.0374(9) Uani 1 1 d . . .
Si2 Si 0.8540(3) 0.7984(3) 0.9419(3) 0.0400(9) Uani 1 1 d . . .
Si3 Si 0.6927(3) 0.6786(3) 0.5453(3) 0.0403(9) Uani 1 1 d . . .
Si4 Si 1.1741(3) 0.6664(3) 0.8578(3) 0.0363(9) Uani 1 1 d . . .
N1 N 0.8174(7) 0.4429(7) 0.7240(7) 0.032(2) Uani 1 1 d . . .
N2 N 0.8159(8) 0.6647(8) 0.8770(7) 0.036(3) Uani 1 1 d . A .
N3 N 0.8387(8) 0.7128(9) 0.6119(9) 0.050(3) Uani 1 1 d . B .
N4 N 1.0809(8) 0.7052(7) 0.7654(7) 0.031(2) Uani 1 1 d . B .
C1 C 0.7548(10) 0.4143(10) 0.7755(9) 0.036(3) Uani 1 1 d . . .
C2 C 0.7210(10) 0.4803(10) 0.8453(9) 0.036(3) Uani 1 1 d . A .
H2 H 0.6688 0.4423 0.8667 0.043 Uiso 1 1 calc R . .
C3 C 0.7474(9) 0.5889(10) 0.8897(8) 0.033(3) Uani 1 1 d . . .
C4 C 0.7149(10) 0.2552(10) 0.5253(9) 0.045(4) Uani 1 1 d . . .
H4A H 0.652 0.2844 0.5021 0.068 Uiso 1 1 calc R . .
H4B H 0.6951 0.2024 0.5578 0.068 Uiso 1 1 calc R . .
H4C H 0.7311 0.2225 0.4643 0.068 Uiso 1 1 calc R . .
C5 C 0.9623(11) 0.3091(11) 0.6681(11) 0.054(4) Uani 1 1 d . . .
H5A H 0.9457 0.2609 0.7064 0.081 Uiso 1 1 calc R . .
H5B H 1.0302 0.3666 0.7147 0.081 Uiso 1 1 calc R . .
H5C H 0.9745 0.2713 0.6066 0.081 Uiso 1 1 calc R . .
C6 C 0.8843(12) 0.4528(10) 0.5518(10) 0.052(4) Uani 1 1 d . . .
H6A H 0.8241 0.4844 0.5262 0.079 Uiso 1 1 calc R . .
H6B H 0.8973 0.4126 0.4918 0.079 Uiso 1 1 calc R . .
H6C H 0.9534 0.5082 0.5996 0.079 Uiso 1 1 calc R . .
C7 C 0.913(2) 0.8378(14) 1.0878(13) 0.118(9) Uani 1 1 d . . .
H7A H 0.9715 0.804 1.1114 0.177 Uiso 1 1 calc R . .
H7B H 0.8529 0.8161 1.1124 0.177 Uiso 1 1 calc R . .
H7C H 0.9451 0.9141 1.1168 0.177 Uiso 1 1 calc R . .
C8 C 0.7449(18) 0.8656(17) 0.9052(16) 0.129(9) Uani 1 1 d . . .
H8A H 0.7113 0.8476 0.8282 0.194 Uiso 1 1 calc R . .
H8B H 0.779 0.9417 0.9364 0.194 Uiso 1 1 calc R . .
H8C H 0.6866 0.8434 0.9313 0.194 Uiso 1 1 calc R . .
C9 C 0.967(2) 0.8558(13) 0.902(2) 0.179(15) Uani 1 1 d . . .
H9A H 0.9387 0.8369 0.8254 0.268 Uiso 1 1 calc R . .
H9B H 1.0308 0.8286 0.9277 0.268 Uiso 1 1 calc R . .
H9C H 0.9905 0.9323 0.9333 0.268 Uiso 1 1 calc R . .
C10 C 0.7110(6) 0.2992(4) 0.7612(6) 0.027(3) Uiso 1 1 d G . .
C11 C 0.7852(4) 0.2408(6) 0.7883(6) 0.040(3) Uiso 1 1 d G . .
H11 H 0.8639 0.274 0.82 0.048 Uiso 1 1 calc R . .
C12 C 0.7442(6) 0.1336(6) 0.7690(7) 0.052(4) Uiso 1 1 d G . .
H12 H 0.7949 0.0937 0.7875 0.062 Uiso 1 1 calc R . .
C13 C 0.6291(7) 0.0850(4) 0.7225(7) 0.061(4) Uiso 1 1 d G . .
H13 H 0.6011 0.0118 0.7093 0.073 Uiso 1 1 calc R . .
C14 C 0.5549(5) 0.1435(6) 0.6954(7) 0.057(4) Uiso 1 1 d G . .
H14 H 0.4762 0.1102 0.6636 0.068 Uiso 1 1 calc R . .
C15 C 0.5959(5) 0.2506(6) 0.7147(6) 0.043(3) Uiso 1 1 d G . .
H15 H 0.5452 0.2905 0.6962 0.051 Uiso 1 1 calc R . .
C22 C 0.9136(10) 0.7909(11) 0.6058(11) 0.048(4) Uani 1 1 d . . .
C23 C 1.0310(10) 0.8215(11) 0.6593(11) 0.051(4) Uani 1 1 d . B .
H23 H 1.0684 0.8799 0.6455 0.061 Uiso 1 1 calc R . .
C24 C 1.1059(9) 0.7834(10) 0.7300(9) 0.034(3) Uani 1 1 d . . .
C25 C 0.6369(10) 0.5909(11) 0.6108(10) 0.053(4) Uani 1 1 d . . .
H25A H 0.6693 0.5319 0.6068 0.079 Uiso 1 1 calc R . .
H25B H 0.5549 0.5642 0.5753 0.079 Uiso 1 1 calc R . .
H25C H 0.6571 0.6302 0.6849 0.079 Uiso 1 1 calc R . .
C26 C 0.6431(13) 0.6008(14) 0.4039(11) 0.074(5) Uani 1 1 d . . .
H26A H 0.6771 0.543 0.3974 0.111 Uiso 1 1 calc R . .
H26B H 0.6649 0.646 0.3648 0.111 Uiso 1 1 calc R . .
H26C H 0.561 0.5724 0.3749 0.111 Uiso 1 1 calc R . .
C27 C 0.6271(11) 0.7869(12) 0.5561(12) 0.061(4) Uani 1 1 d . . .
H27A H 0.653 0.8285 0.6304 0.092 Uiso 1 1 calc R . .
H27B H 0.5452 0.7578 0.5271 0.092 Uiso 1 1 calc R . .
H27C H 0.6485 0.8318 0.5165 0.092 Uiso 1 1 calc R . .
C28 C 1.0844(10) 0.5901(11) 0.9127(10) 0.044(3) Uani 1 1 d . . .
H28A H 1.0249 0.5319 0.855 0.067 Uiso 1 1 calc R . .
H28B H 1.0504 0.6365 0.9484 0.067 Uiso 1 1 calc R . .
H28C H 1.1312 0.5624 0.9631 0.067 Uiso 1 1 calc R . .
C29 C 1.2383(11) 0.5748(10) 0.7926(11) 0.050(4) Uani 1 1 d . . .
H29A H 1.1789 0.5189 0.7324 0.074 Uiso 1 1 calc R . .
H29B H 1.2797 0.5439 0.8432 0.074 Uiso 1 1 calc R . .
H29C H 1.29 0.6135 0.768 0.074 Uiso 1 1 calc R . .
C30 C 1.2844(11) 0.7751(10) 0.9739(9) 0.044(3) Uani 1 1 d . . .
H30A H 1.2485 0.8219 1.0063 0.066 Uiso 1 1 calc R . .
H30B H 1.3366 0.8148 0.9505 0.066 Uiso 1 1 calc R . .
H30C H 1.3258 0.7453 1.0257 0.066 Uiso 1 1 calc R . .
C37 C 1.2271(5) 0.8501(6) 0.7678(6) 0.031(3) Uiso 1 1 d G B .
C38 C 1.3051(6) 0.8060(5) 0.7411(6) 0.038(3) Uiso 1 1 d G . .
H38 H 1.282 0.7356 0.6965 0.046 Uiso 1 1 calc R B .
C39 C 1.4170(5) 0.8650(6) 0.7797(7) 0.052(4) Uiso 1 1 d G B .
H39 H 1.4703 0.8348 0.7614 0.062 Uiso 1 1 calc R . .
C40 C 1.4508(5) 0.9680(6) 0.8450(7) 0.051(4) Uiso 1 1 d G . .
H40 H 1.5272 1.0083 0.8713 0.061 Uiso 1 1 calc R B .
C41 C 1.3728(6) 1.0121(5) 0.8717(6) 0.055(4) Uiso 1 1 d G B .
H41 H 1.3959 1.0825 0.9163 0.066 Uiso 1 1 calc R . .
C42 C 1.2610(6) 0.9531(6) 0.8331(6) 0.050(4) Uiso 1 1 d G . .
H42 H 1.2077 0.9833 0.8513 0.06 Uiso 1 1 calc R B .
C16 C 0.6759(14) 0.6222(13) 0.9526(13) 0.027(8) Uiso 0.53(2) 1 d PG A 1
C17 C 0.5940(14) 0.6707(15) 0.9164(10) 0.049(8) Uiso 0.53(2) 1 d PG A 1
H17 H 0.5806 0.6844 0.8512 0.059 Uiso 0.53(2) 1 calc PR A 1
C18 C 0.5318(12) 0.6993(15) 0.9758(13) 0.049(8) Uiso 0.53(2) 1 d PG A 1
H18 H 0.4758 0.7324 0.9511 0.059 Uiso 0.53(2) 1 calc PR A 1
C19 C 0.5515(14) 0.6792(13) 1.0713(13) 0.053(8) Uiso 0.53(2) 1 d PG A 1
H19 H 0.509 0.6987 1.1119 0.064 Uiso 0.53(2) 1 calc PR A 1
C20 C 0.6334(17) 0.6307(14) 1.1075(12) 0.042(7) Uiso 0.53(2) 1 d PG A 1
H20 H 0.6469 0.617 1.1728 0.05 Uiso 0.53(2) 1 calc PR A 1
C21 C 0.6956(15) 0.6022(13) 1.0481(14) 0.047(7) Uiso 0.53(2) 1 d PG A 1
H21 H 0.7516 0.569 1.0728 0.056 Uiso 0.53(2) 1 calc PR A 1
C31 C 0.8750(16) 0.8743(19) 0.5538(17) 0.037(8) Uiso 0.50(4) 1 d PG B 1
C32 C 0.848(2) 0.9611(16) 0.6017(13) 0.064(10) Uiso 0.50(4) 1 d PG B 1
H32 H 0.8607 0.9785 0.6745 0.077 Uiso 0.50(4) 1 calc PR B 1
C33 C 0.803(2) 1.0225(13) 0.5431(16) 0.064(10) Uiso 0.50(4) 1 d PG B 1
H33 H 0.7849 1.0818 0.5759 0.076 Uiso 0.50(4) 1 calc PR B 1
C34 C 0.7850(15) 0.9971(17) 0.4366(17) 0.035(8) Uiso 0.50(4) 1 d PG B 1
H34 H 0.7542 1.039 0.3966 0.043 Uiso 0.50(4) 1 calc PR B 1
C35 C 0.812(2) 0.910(2) 0.3887(17) 0.052(9) Uiso 0.50(4) 1 d PG B 1
H35 H 0.7993 0.893 0.316 0.063 Uiso 0.50(4) 1 calc PR B 1
C36 C 0.857(2) 0.849(2) 0.447(2) 0.040(8) Uiso 0.50(4) 1 d PG B 1
H36 H 0.875 0.7896 0.4145 0.048 Uiso 0.50(4) 1 calc PR B 1
C16A C 0.6947(15) 0.6138(15) 0.9687(13) 0.041(11) Uiso 0.47(2) 1 d PG A 2
C17A C 0.5830(15) 0.6140(18) 0.9309(11) 0.056(9) Uiso 0.47(2) 1 d PG A 2
H17A H 0.5417 0.5949 0.8571 0.067 Uiso 0.47(2) 1 calc PR A 2
C18A C 0.5316(12) 0.6420(18) 1.0009(15) 0.055(9) Uiso 0.47(2) 1 d PG A 2
H18A H 0.4553 0.6421 0.9751 0.066 Uiso 0.47(2) 1 calc PR A 2
C19A C 0.5920(16) 0.6700(16) 1.1089(14) 0.064(10) Uiso 0.47(2) 1 d PG A 2
H19A H 0.5569 0.6891 1.1567 0.077 Uiso 0.47(2) 1 calc PR A 2
C20A C 0.7038(16) 0.6698(16) 1.1467(11) 0.044(8) Uiso 0.47(2) 1 d PG A 2
H20A H 0.7451 0.6889 1.2205 0.053 Uiso 0.47(2) 1 calc PR A 2
C21A C 0.7551(14) 0.6417(15) 1.0766(14) 0.035(7) Uiso 0.47(2) 1 d PG A 2
H21A H 0.8315 0.6416 1.1025 0.043 Uiso 0.47(2) 1 calc PR A 2
C31A C 0.8727(14) 0.8456(15) 0.5285(14) 0.021(7) Uiso 0.50(4) 1 d PG B 2
C32A C 0.8793(16) 0.9483(13) 0.5778(13) 0.029(8) Uiso 0.50(4) 1 d PG B 2
H32A H 0.913 0.9767 0.6525 0.035 Uiso 0.50(4) 1 calc PR B 2
C33A C 0.8365(17) 1.0095(11) 0.5179(16) 0.040(8) Uiso 0.50(4) 1 d PG B 2
H33A H 0.841 1.0797 0.5516 0.048 Uiso 0.50(4) 1 calc PR B 2
C34A C 0.7871(15) 0.9680(16) 0.4086(16) 0.042(8) Uiso 0.50(4) 1 d PG B 2
H34A H 0.7579 1.0098 0.3676 0.05 Uiso 0.50(4) 1 calc PR B 2
C35A C 0.7806(17) 0.8652(19) 0.3593(12) 0.044(8) Uiso 0.50(4) 1 d PG B 2
H35A H 0.7469 0.8368 0.2846 0.053 Uiso 0.50(4) 1 calc PR B 2
C36A C 0.8234(18) 0.8040(17) 0.4193(13) 0.026(7) Uiso 0.50(4) 1 d PG B 2
H36A H 0.8189 0.7338 0.3856 0.031 Uiso 0.50(4) 1 calc PR B 2
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 0 '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'
Yb Yb -0.385 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
N3 Yb N4 85.4(3) . . ?
N3 Yb N2 114.0(4) . . ?
N4 Yb N2 123.6(3) . . ?
N3 Yb N1 128.2(3) . . ?
N4 Yb N1 124.0(3) . . ?
N2 Yb N1 86.0(3) . . ?
N1 Si1 C5 115.5(6) . . ?
N1 Si1 C6 104.5(6) . . ?
C5 Si1 C6 105.2(6) . . ?
N1 Si1 C4 113.9(5) . . ?
C5 Si1 C4 110.0(6) . . ?
C6 Si1 C4 106.8(6) . . ?
N2 Si2 C9 104.4(6) . . ?
N2 Si2 C8 116.6(8) . . ?
C9 Si2 C8 106.2(13) . . ?
N2 Si2 C7 115.7(7) . . ?
C9 Si2 C7 107.0(13) . . ?
C8 Si2 C7 106.3(10) . . ?
N3 Si3 C27 116.5(6) . . ?
N3 Si3 C25 103.8(5) . . ?
C27 Si3 C25 106.5(7) . . ?
N3 Si3 C26 113.6(7) . . ?
C27 Si3 C26 108.9(7) . . ?
C25 Si3 C26 106.7(7) . . ?
N4 Si4 C29 110.7(6) . . ?
N4 Si4 C30 115.8(5) . . ?
C29 Si4 C30 111.2(6) . . ?
N4 Si4 C28 104.9(5) . . ?
C29 Si4 C28 107.6(6) . . ?
C30 Si4 C28 106.0(6) . . ?
C1 N1 Si1 127.9(8) . . ?
C1 N1 Yb 121.6(8) . . ?
Si1 N1 Yb 109.8(4) . . ?
C3 N2 Si2 127.2(8) . . ?
C3 N2 Yb 120.3(8) . . ?
Si2 N2 Yb 112.3(4) . . ?
C22 N3 Si3 125.1(9) . . ?
C22 N3 Yb 122.1(8) . . ?
Si3 N3 Yb 111.9(5) . . ?
C24 N4 Si4 126.6(8) . . ?
C24 N4 Yb 121.5(7) . . ?
Si4 N4 Yb 110.3(4) . . ?
N1 C1 C2 127.4(11) . . ?
N1 C1 C10 119.3(10) . . ?
C2 C1 C10 113.3(9) . . ?
C3 C2 C1 134.3(11) . . ?
N2 C3 C2 129.1(11) . . ?
N2 C3 C16A 120.4(12) . . ?
C2 C3 C16A 110.2(12) . . ?
N2 C3 C16 117.0(11) . . ?
C2 C3 C16 113.6(11) . . ?
C16A C3 C16 12.5(10) . . ?
C11 C10 C15 120 . . ?
C11 C10 C1 120.4(6) . . ?
C15 C10 C1 119.5(6) . . ?
C12 C11 C10 120 . . ?
C13 C12 C11 120 . . ?
C12 C13 C14 120 . . ?
C15 C14 C13 120 . . ?
C14 C15 C10 120 . . ?
N3 C22 C23 126.6(11) . . ?
N3 C22 C31A 118.5(12) . . ?
C23 C22 C31A 114.7(12) . . ?
N3 C22 C31 121.2(12) . . ?
C23 C22 C31 111.0(12) . . ?
C31A C22 C31 16.8(9) . . ?
C22 C23 C24 133.6(11) . . ?
N4 C24 C23 128.1(10) . . ?
N4 C24 C37 120.8(9) . . ?
C23 C24 C37 111.1(9) . . ?
C38 C37 C42 120 . . ?
C38 C37 C24 119.8(7) . . ?
C42 C37 C24 120.2(7) . . ?
C37 C38 C39 120 . . ?
C38 C39 C40 120 . . ?
C39 C40 C41 120 . . ?
C42 C41 C40 120 . . ?
C41 C42 C37 120 . . ?
C17 C16 C21 120 . . ?
C17 C16 C3 122.1(12) . . ?
C21 C16 C3 117.9(12) . . ?
C16 C17 C18 120 . . ?
C17 C18 C19 120 . . ?
C20 C19 C18 120 . . ?
C19 C20 C21 120 . . ?
C20 C21 C16 120 . . ?
C32 C31 C36 120 . . ?
C32 C31 C22 125.9(14) . . ?
C36 C31 C22 113.8(14) . . ?
C31 C32 C33 120 . . ?
C34 C33 C32 120 . . ?
C35 C34 C33 120 . . ?
C34 C35 C36 120 . . ?
C35 C36 C31 120 . . ?
C17A C16A C21A 120 . . ?
C17A C16A C3 117.5(13) . . ?
C21A C16A C3 122.4(13) . . ?
C18A C17A C16A 120 . . ?
C17A C18A C19A 120 . . ?
C18A C19A C20A 120 . . ?
C19A C20A C21A 120 . . ?
C20A C21A C16A 120 . . ?
C32A C31A C36A 120 . . ?
C32A C31A C22 111.8(12) . . ?
C36A C31A C22 128.0(12) . . ?
C31A C32A C33A 120 . . ?
C34A C33A C32A 120 . . ?
C33A C34A C35A 120 . . ?
C36A C35A C34A 120 . . ?
C35A C36A C31A 120 . . ?
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 N3 2.396(10) . ?
Yb N4 2.405(9) . ?
Yb N2 2.418(9) . ?
Yb N1 2.423(9) . ?
Si1 N1 1.738(10) . ?
Si1 C5 1.851(14) . ?
Si1 C6 1.878(12) . ?
Si1 C4 1.879(12) . ?
Si2 N2 1.738(11) . ?
Si2 C9 1.845(18) . ?
Si2 C8 1.845(18) . ?
Si2 C7 1.852(17) . ?
Si3 N3 1.751(10) . ?
Si3 C27 1.851(15) . ?
Si3 C25 1.857(12) . ?
Si3 C26 1.859(15) . ?
Si4 N4 1.737(10) . ?
Si4 C29 1.871(14) . ?
Si4 C30 1.876(13) . ?
Si4 C28 1.890(12) . ?
N1 C1 1.323(14) . ?
N2 C3 1.323(14) . ?
N3 C22 1.347(15) . ?
N4 C24 1.311(14) . ?
C1 C2 1.416(17) . ?
C1 C10 1.512(13) . ?
C2 C3 1.398(17) . ?
C3 C16A 1.500(17) . ?
C3 C16 1.545(16) . ?
C10 C11 1.39 . ?
C10 C15 1.39 . ?
C11 C12 1.39 . ?
C12 C13 1.39 . ?
C13 C14 1.39 . ?
C14 C15 1.39 . ?
C22 C23 1.406(17) . ?
C22 C31A 1.480(16) . ?
C22 C31 1.571(19) . ?
C23 C24 1.427(16) . ?
C24 C37 1.524(12) . ?
C37 C38 1.39 . ?
C37 C42 1.39 . ?
C38 C39 1.39 . ?
C39 C40 1.39 . ?
C40 C41 1.39 . ?
C41 C42 1.39 . ?
C16 C17 1.39 . ?
C16 C21 1.39 . ?
C17 C18 1.39 . ?
C18 C19 1.39 . ?
C19 C20 1.39 . ?
C20 C21 1.39 . ?
C31 C32 1.39 . ?
C31 C36 1.39 . ?
C32 C33 1.39 . ?
C33 C34 1.39 . ?
C34 C35 1.39 . ?
C35 C36 1.39 . ?
C16A C17A 1.39 . ?
C16A C21A 1.39 . ?
C17A C18A 1.39 . ?
C18A C19A 1.39 . ?
C19A C20A 1.39 . ?
C20A C21A 1.39 . ?
C31A C32A 1.39 . ?
C31A C36A 1.39 . ?
C32A C33A 1.39 . ?
C33A C34A 1.39 . ?
C34A C35A 1.39 . ?
C35A C36A 1.39 . ?
