#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:16:01 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179238 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/58/4315825.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_4315825
loop_
_publ_author_name
'Zhengxing Zhang'
'Lixin Zhang'
'Yanrong Li'
'Longcheng Hong'
'Zhenxia Chen'
'Xigeng Zhou'
_publ_contact_author_address
;Department of Chemistry
Molecular Catalysis and Innovative Material Laboratory 
Fudan University
Shanghai 200433
State Key Laboratory of Organometallic Chemistry
Shanghai 200032
People's Republic of China
;
_publ_contact_author_email       xgzhou@fudan.edu.cn
_publ_contact_author_name        'Zhou, Xigeng'
_publ_section_title
;
 Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on
 Elemental Sulfur: Synthesis and Characterization of
 Bis(guanidinate)lanthanide Thiolates and Disulfides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5715
_journal_page_last               5722
_journal_paper_doi               10.1021/ic100617n
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C44 H98 N7 Si6 Yb'
_chemical_formula_weight         1066.87
_chemical_name_systematic
; 
 ? 
;
_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                108.567(5)
_cell_angle_beta                 94.576(5)
_cell_angle_gamma                96.085(6)
_cell_formula_units_Z            2
_cell_length_a                   11.790(5)
_cell_length_b                   16.199(7)
_cell_length_c                   17.853(8)
_cell_measurement_reflns_used    6846
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.118
_cell_measurement_theta_min      2.352
_cell_volume                     3191(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13419
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    1.609
_exptl_absorpt_correction_T_max  0.9239
_exptl_absorpt_correction_T_min  0.6440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1130
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         6.077
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         11083
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1204P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1664
_refine_ls_wR_factor_ref         0.1729
_reflns_number_gt                9169
_reflns_number_total             11083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100617n_si_001_09.cif
_cod_data_source_block           f60418a-ComplexS2-Yb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4315825
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 0.77989(2) 0.812803(17) 0.170587(16) 0.03084(12) Uani 1 1 d . . .
N1 N 0.6697(5) 0.9286(3) 0.2027(3) 0.0350(12) Uani 1 1 d . . .
N2 N 0.8568(5) 0.9554(4) 0.2471(3) 0.0356(13) Uani 1 1 d . . .
N3 N 0.7494(5) 1.0805(3) 0.2742(3) 0.0362(13) Uani 1 1 d . . .
N4 N 0.9025(5) 0.7219(4) 0.2038(3) 0.0354(13) Uani 1 1 d . . .
N5 N 0.7333(5) 0.7309(4) 0.2518(3) 0.0391(13) Uani 1 1 d . . .
N6 N 0.8502(5) 0.6255(4) 0.2796(4) 0.0410(14) Uani 1 1 d . . .
N7 N 0.7561(5) 0.7630(4) 0.0383(3) 0.0370(13) Uani 1 1 d . . .
Si1 Si 0.7975(2) 1.14900(14) 0.22105(14) 0.0477(5) Uani 1 1 d . . .
Si2 Si 0.6867(2) 1.12134(15) 0.36184(13) 0.0507(5) Uani 1 1 d . . .
Si3 Si 0.7847(2) 0.51694(14) 0.22627(15) 0.0528(6) Uani 1 1 d . . .
Si4 Si 0.9407(3) 0.65048(17) 0.36762(16) 0.0631(7) Uani 1 1 d . . .
Si5 Si 0.64121(19) 0.68464(14) -0.01176(12) 0.0443(5) Uani 1 1 d . . .
Si6 Si 0.85234(19) 0.80337(14) -0.01312(12) 0.0449(5) Uani 1 1 d . . .
C1 C 0.7573(6) 0.9881(4) 0.2420(4) 0.0327(14) Uani 1 1 d . . .
C2 C 0.5604(6) 0.9520(4) 0.1766(4) 0.0351(15) Uani 1 1 d . . .
H2A H 0.5636 1.0160 0.1985 0.042 Uiso 1 1 calc R . .
C3 C 0.5384(7) 0.9244(5) 0.0858(5) 0.0471(18) Uani 1 1 d . . .
H3A H 0.5997 0.9544 0.0668 0.057 Uiso 1 1 calc R . .
H3B H 0.5408 0.8617 0.0634 0.057 Uiso 1 1 calc R . .
C4 C 0.4249(7) 0.9445(6) 0.0561(6) 0.061(2) Uani 1 1 d . . .
H4A H 0.4139 0.9226 -0.0016 0.074 Uiso 1 1 calc R . .
H4B H 0.4248 1.0077 0.0734 0.074 Uiso 1 1 calc R . .
C5 C 0.3254(7) 0.9009(7) 0.0886(6) 0.076(3) Uani 1 1 d . . .
H5A H 0.2532 0.9173 0.0720 0.091 Uiso 1 1 calc R . .
H5B H 0.3205 0.8374 0.0668 0.091 Uiso 1 1 calc R . .
C6 C 0.3446(7) 0.9290(6) 0.1765(6) 0.064(2) Uani 1 1 d . . .
H6A H 0.2832 0.8990 0.1953 0.077 Uiso 1 1 calc R . .
H6B H 0.3415 0.9916 0.1979 0.077 Uiso 1 1 calc R . .
C7 C 0.4609(6) 0.9095(5) 0.2080(5) 0.0492(19) Uani 1 1 d . . .
H7A H 0.4709 0.9320 0.2657 0.059 Uiso 1 1 calc R . .
H7B H 0.4614 0.8464 0.1914 0.059 Uiso 1 1 calc R . .
C8 C 0.9552(6) 1.0064(5) 0.3036(4) 0.0406(16) Uani 1 1 d . . .
H8A H 0.9333 1.0626 0.3353 0.049 Uiso 1 1 calc R . .
C9 C 0.9863(7) 0.9553(5) 0.3586(5) 0.0511(19) Uani 1 1 d . . .
H9A H 1.0032 0.8981 0.3271 0.061 Uiso 1 1 calc R . .
H9B H 0.9208 0.9461 0.3861 0.061 Uiso 1 1 calc R . .
C10 C 1.0898(9) 1.0029(7) 0.4201(6) 0.075(3) Uani 1 1 d . . .
H10A H 1.0691 1.0561 0.4566 0.090 Uiso 1 1 calc R . .
H10B H 1.1103 0.9655 0.4505 0.090 Uiso 1 1 calc R . .
C11 C 1.1926(9) 1.0267(8) 0.3818(7) 0.099(4) Uani 1 1 d . . .
H11A H 1.2214 0.9733 0.3523 0.119 Uiso 1 1 calc R . .
H11B H 1.2531 1.0621 0.4231 0.119 Uiso 1 1 calc R . .
C12 C 1.1631(8) 1.0786(7) 0.3244(6) 0.075(3) Uani 1 1 d . . .
H12A H 1.1436 1.1355 0.3543 0.090 Uiso 1 1 calc R . .
H12B H 1.2291 1.0879 0.2974 0.090 Uiso 1 1 calc R . .
C13 C 1.0600(7) 1.0248(6) 0.2625(5) 0.055(2) Uani 1 1 d . . .
H13A H 1.0399 1.0572 0.2273 0.067 Uiso 1 1 calc R . .
H13B H 1.0818 0.9695 0.2306 0.067 Uiso 1 1 calc R . .
C14 C 0.8303(8) 1.0809(6) 0.1215(5) 0.059(2) Uani 1 1 d . . .
H14A H 0.8904 1.0474 0.1282 0.089 Uiso 1 1 calc R . .
H14B H 0.8547 1.1186 0.0921 0.089 Uiso 1 1 calc R . .
H14C H 0.7627 1.0416 0.0929 0.089 Uiso 1 1 calc R . .
C15 C 0.9265(9) 1.2286(6) 0.2746(6) 0.077(3) Uani 1 1 d . . .
H15A H 0.9883 1.1971 0.2829 0.116 Uiso 1 1 calc R . .
H15B H 0.9088 1.2650 0.3251 0.116 Uiso 1 1 calc R . .
H15C H 0.9491 1.2648 0.2435 0.116 Uiso 1 1 calc R . .
C16 C 0.6808(10) 1.2124(7) 0.2042(7) 0.085(3) Uani 1 1 d . . .
H16A H 0.6135 1.1724 0.1761 0.127 Uiso 1 1 calc R . .
H16B H 0.7056 1.2483 0.1734 0.127 Uiso 1 1 calc R . .
H16C H 0.6630 1.2492 0.2545 0.127 Uiso 1 1 calc R . .
C17 C 0.7002(11) 1.0477(7) 0.4216(6) 0.091(4) Uani 1 1 d . . .
H17A H 0.6595 0.9905 0.3923 0.136 Uiso 1 1 calc R . .
H17B H 0.6684 1.0712 0.4706 0.136 Uiso 1 1 calc R . .
H17C H 0.7799 1.0433 0.4329 0.136 Uiso 1 1 calc R . .
C18 C 0.7645(11) 1.2312(7) 0.4206(6) 0.093(4) Uani 1 1 d . . .
H18A H 0.8449 1.2273 0.4294 0.139 Uiso 1 1 calc R . .
H18B H 0.7350 1.2518 0.4708 0.139 Uiso 1 1 calc R . .
H18C H 0.7542 1.2715 0.3919 0.139 Uiso 1 1 calc R . .
C19 C 0.5328(9) 1.1351(8) 0.3482(7) 0.085(3) Uani 1 1 d . . .
H19A H 0.4886 1.0793 0.3183 0.127 Uiso 1 1 calc R . .
H19B H 0.5243 1.1759 0.3199 0.127 Uiso 1 1 calc R . .
H19C H 0.5061 1.1571 0.3992 0.127 Uiso 1 1 calc R . .
C20 C 0.8294(6) 0.6934(4) 0.2447(4) 0.0340(15) Uani 1 1 d . . .
C21 C 1.0019(6) 0.6800(4) 0.1786(5) 0.0414(17) Uani 1 1 d . . .
H21A H 1.0081 0.6331 0.2017 0.050 Uiso 1 1 calc R . .
C22 C 1.1107(7) 0.7453(5) 0.2060(5) 0.056(2) Uani 1 1 d . . .
H22A H 1.1207 0.7695 0.2636 0.067 Uiso 1 1 calc R . .
H22B H 1.1038 0.7934 0.1853 0.067 Uiso 1 1 calc R . .
C23 C 1.2178(7) 0.7015(6) 0.1774(7) 0.075(3) Uani 1 1 d . . .
H23A H 1.2861 0.7448 0.1955 0.090 Uiso 1 1 calc R . .
H23B H 1.2271 0.6552 0.2000 0.090 Uiso 1 1 calc R . .
C24 C 1.2032(8) 0.6634(6) 0.0875(7) 0.087(4) Uani 1 1 d . . .
H24A H 1.2697 0.6354 0.0700 0.104 Uiso 1 1 calc R . .
H24B H 1.1979 0.7102 0.0650 0.104 Uiso 1 1 calc R . .
C25 C 1.0947(7) 0.5958(6) 0.0577(6) 0.068(3) Uani 1 1 d . . .
H25A H 1.1018 0.5469 0.0772 0.082 Uiso 1 1 calc R . .
H25B H 1.0846 0.5733 0.0000 0.082 Uiso 1 1 calc R . .
C26 C 0.9908(7) 0.6399(5) 0.0877(5) 0.051(2) Uani 1 1 d . . .
H26A H 0.9223 0.5966 0.0696 0.061 Uiso 1 1 calc R . .
H26B H 0.9814 0.6858 0.0646 0.061 Uiso 1 1 calc R . .
C27 C 0.6539(6) 0.7219(5) 0.3095(4) 0.0443(17) Uani 1 1 d . . .
H27A H 0.6860 0.6875 0.3402 0.053 Uiso 1 1 calc R . .
C28 C 0.5334(7) 0.6746(7) 0.2683(5) 0.061(2) Uani 1 1 d . . .
H28A H 0.5015 0.7064 0.2357 0.073 Uiso 1 1 calc R . .
H28B H 0.5394 0.6158 0.2338 0.073 Uiso 1 1 calc R . .
C29 C 0.4544(9) 0.6696(8) 0.3305(7) 0.084(3) Uani 1 1 d . . .
H29A H 0.3778 0.6433 0.3042 0.100 Uiso 1 1 calc R . .
H29B H 0.4821 0.6324 0.3590 0.100 Uiso 1 1 calc R . .
C30 C 0.4490(10) 0.7588(9) 0.3884(7) 0.101(4) Uani 1 1 d . . .
H30A H 0.4102 0.7926 0.3608 0.121 Uiso 1 1 calc R . .
H30B H 0.4032 0.7521 0.4294 0.121 Uiso 1 1 calc R . .
C31 C 0.5620(10) 0.8088(8) 0.4268(6) 0.087(3) Uani 1 1 d . . .
H31A H 0.5949 0.7814 0.4629 0.104 Uiso 1 1 calc R . .
H31B H 0.5520 0.8681 0.4578 0.104 Uiso 1 1 calc R . .
C32 C 0.6446(8) 0.8127(6) 0.3665(5) 0.062(2) Uani 1 1 d . . .
H32A H 0.6184 0.8489 0.3363 0.075 Uiso 1 1 calc R . .
H32B H 0.7200 0.8402 0.3944 0.075 Uiso 1 1 calc R . .
C33 C 0.7154(9) 0.5085(6) 0.1264(6) 0.072(3) Uani 1 1 d . . .
H33A H 0.6564 0.5459 0.1323 0.107 Uiso 1 1 calc R . .
H33B H 0.6820 0.4487 0.0984 0.107 Uiso 1 1 calc R . .
H33C H 0.7719 0.5265 0.0968 0.107 Uiso 1 1 calc R . .
C34 C 0.8954(11) 0.4415(6) 0.2069(8) 0.094(4) Uani 1 1 d . . .
H34A H 0.9526 0.4623 0.1793 0.141 Uiso 1 1 calc R . .
H34B H 0.8597 0.3835 0.1748 0.141 Uiso 1 1 calc R . .
H34C H 0.9309 0.4396 0.2565 0.141 Uiso 1 1 calc R . .
C35 C 0.6755(10) 0.4746(7) 0.2791(7) 0.089(4) Uani 1 1 d . . .
H35A H 0.6166 0.5120 0.2884 0.133 Uiso 1 1 calc R . .
H35B H 0.7113 0.4739 0.3290 0.133 Uiso 1 1 calc R . .
H35C H 0.6421 0.4160 0.2471 0.133 Uiso 1 1 calc R . .
C36 C 1.0892(12) 0.6227(10) 0.3536(8) 0.121(5) Uani 1 1 d . . .
H36A H 1.0852 0.5614 0.3237 0.181 Uiso 1 1 calc R . .
H36B H 1.1328 0.6351 0.4046 0.181 Uiso 1 1 calc R . .
H36C H 1.1258 0.6573 0.3253 0.181 Uiso 1 1 calc R . .
C37 C 0.8934(15) 0.5844(10) 0.4257(8) 0.134(6) Uani 1 1 d . . .
H37A H 0.8165 0.5931 0.4369 0.201 Uiso 1 1 calc R . .
H37B H 0.9434 0.6011 0.4748 0.201 Uiso 1 1 calc R . .
H37C H 0.8951 0.5235 0.3966 0.201 Uiso 1 1 calc R . .
C38 C 0.9444(14) 0.7660(8) 0.4228(8) 0.130(6) Uani 1 1 d . . .
H38A H 0.8675 0.7788 0.4296 0.195 Uiso 1 1 calc R . .
H38B H 0.9797 0.8008 0.3940 0.195 Uiso 1 1 calc R . .
H38C H 0.9881 0.7798 0.4740 0.195 Uiso 1 1 calc R . .
C39 C 0.5524(9) 0.7137(7) -0.0882(6) 0.074(3) Uani 1 1 d . . .
H39A H 0.5296 0.7706 -0.0646 0.111 Uiso 1 1 calc R . .
H39B H 0.4852 0.6706 -0.1087 0.111 Uiso 1 1 calc R . .
H39C H 0.5965 0.7149 -0.1309 0.111 Uiso 1 1 calc R . .
C40 C 0.6806(9) 0.5745(5) -0.0637(6) 0.073(3) Uani 1 1 d . . .
H40A H 0.7317 0.5791 -0.1019 0.110 Uiso 1 1 calc R . .
H40B H 0.6124 0.5348 -0.0906 0.110 Uiso 1 1 calc R . .
H40C H 0.7179 0.5526 -0.0256 0.110 Uiso 1 1 calc R . .
C41 C 0.5403(8) 0.6703(6) 0.0609(6) 0.062(2) Uani 1 1 d . . .
H41A H 0.5177 0.7261 0.0888 0.094 Uiso 1 1 calc R . .
H41B H 0.5782 0.6477 0.0982 0.094 Uiso 1 1 calc R . .
H41C H 0.4735 0.6299 0.0326 0.094 Uiso 1 1 calc R . .
C42 C 0.9112(9) 0.7139(7) -0.0898(6) 0.077(3) Uani 1 1 d . . .
H42A H 0.9418 0.6750 -0.0650 0.115 Uiso 1 1 calc R . .
H42B H 0.9711 0.7398 -0.1121 0.115 Uiso 1 1 calc R . .
H42C H 0.8508 0.6813 -0.1312 0.115 Uiso 1 1 calc R . .
C43 C 0.9783(8) 0.8719(6) 0.0600(5) 0.062(2) Uani 1 1 d . . .
H43A H 0.9517 0.9185 0.1000 0.093 Uiso 1 1 calc R . .
H43B H 1.0320 0.8964 0.0325 0.093 Uiso 1 1 calc R . .
H43C H 1.0153 0.8355 0.0847 0.093 Uiso 1 1 calc R . .
C44 C 0.7942(9) 0.8772(6) -0.0660(5) 0.067(3) Uani 1 1 d . . .
H44A H 0.7632 0.9237 -0.0287 0.101 Uiso 1 1 calc R . .
H44B H 0.7347 0.8435 -0.1077 0.101 Uiso 1 1 calc R . .
H44C H 0.8551 0.9019 -0.0884 0.101 Uiso 1 1 calc R . .
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'
Yb Yb -0.3850 5.5486 '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'
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
N7 Yb N5 125.4(2) . . ?
N7 Yb N2 124.4(2) . . ?
N5 Yb N2 110.2(2) . . ?
N7 Yb N4 103.5(2) . . ?
N5 Yb N4 57.3(2) . . ?
N2 Yb N4 105.9(2) . . ?
N7 Yb N1 103.7(2) . . ?
N5 Yb N1 105.7(2) . . ?
N2 Yb N1 57.23(19) . . ?
N4 Yb N1 152.9(2) . . ?
N7 Yb C20 116.3(2) . . ?
N5 Yb C20 29.0(2) . . ?
N2 Yb C20 111.90(19) . . ?
N4 Yb C20 28.39(19) . . ?
N1 Yb C20 132.26(19) . . ?
N7 Yb C1 116.3(2) . . ?
N5 Yb C1 111.30(19) . . ?
N2 Yb C1 28.96(19) . . ?
N4 Yb C1 132.2(2) . . ?
N1 Yb C1 28.29(19) . . ?
C20 Yb C1 127.41(18) . . ?
N7 Yb Si6 25.92(15) . . ?
N5 Yb Si6 144.88(15) . . ?
N2 Yb Si6 101.88(15) . . ?
N4 Yb Si6 100.82(14) . . ?
N1 Yb Si6 103.44(14) . . ?
C20 Yb Si6 123.98(14) . . ?
C1 Yb Si6 103.66(13) . . ?
N7 Yb Si5 25.89(15) . . ?
N5 Yb Si5 103.05(15) . . ?
N2 Yb Si5 143.96(15) . . ?
N4 Yb Si5 103.40(15) . . ?
N1 Yb Si5 101.05(14) . . ?
C20 Yb Si5 103.88(14) . . ?
C1 Yb Si5 123.97(14) . . ?
Si6 Yb Si5 51.80(6) . . ?
C1 N1 C2 122.5(5) . . ?
C1 N1 Yb 94.2(4) . . ?
C2 N1 Yb 140.5(4) . . ?
C1 N2 C8 121.3(6) . . ?
C1 N2 Yb 94.5(4) . . ?
C8 N2 Yb 142.3(4) . . ?
C1 N3 Si2 120.1(4) . . ?
C1 N3 Si1 118.4(4) . . ?
Si2 N3 Si1 121.4(3) . . ?
C20 N4 C21 123.2(6) . . ?
C20 N4 Yb 93.5(4) . . ?
C21 N4 Yb 140.8(5) . . ?
C20 N5 C27 122.3(6) . . ?
C20 N5 Yb 94.0(4) . . ?
C27 N5 Yb 142.6(5) . . ?
C20 N6 Si4 120.8(5) . . ?
C20 N6 Si3 117.2(5) . . ?
Si4 N6 Si3 121.9(3) . . ?
Si6 N7 Si5 120.5(3) . . ?
Si6 N7 Yb 119.6(3) . . ?
Si5 N7 Yb 119.8(3) . . ?
N3 Si1 C15 112.6(4) . . ?
N3 Si1 C16 109.2(4) . . ?
C15 Si1 C16 108.2(5) . . ?
N3 Si1 C14 109.8(3) . . ?
C15 Si1 C14 109.5(5) . . ?
C16 Si1 C14 107.5(5) . . ?
N3 Si2 C17 109.3(4) . . ?
N3 Si2 C18 109.0(4) . . ?
C17 Si2 C18 108.2(5) . . ?
N3 Si2 C19 115.6(4) . . ?
C17 Si2 C19 108.0(6) . . ?
C18 Si2 C19 106.4(5) . . ?
N6 Si3 C35 113.1(4) . . ?
N6 Si3 C33 111.3(4) . . ?
C35 Si3 C33 108.3(5) . . ?
N6 Si3 C34 110.1(4) . . ?
C35 Si3 C34 108.3(5) . . ?
C33 Si3 C34 105.3(5) . . ?
N6 Si4 C37 111.3(5) . . ?
N6 Si4 C38 108.3(4) . . ?
C37 Si4 C38 110.5(7) . . ?
N6 Si4 C36 114.2(5) . . ?
C37 Si4 C36 101.6(7) . . ?
C38 Si4 C36 110.8(7) . . ?
N7 Si5 C40 114.4(4) . . ?
N7 Si5 C39 114.4(4) . . ?
C40 Si5 C39 105.8(5) . . ?
N7 Si5 C41 109.2(4) . . ?
C40 Si5 C41 107.1(4) . . ?
C39 Si5 C41 105.2(5) . . ?
N7 Si5 Yb 34.30(19) . . ?
C40 Si5 Yb 121.2(3) . . ?
C39 Si5 Yb 130.8(3) . . ?
C41 Si5 Yb 75.4(3) . . ?
N7 Si6 C42 112.9(4) . . ?
N7 Si6 C43 108.3(4) . . ?
C42 Si6 C43 107.0(5) . . ?
N7 Si6 C44 114.6(4) . . ?
C42 Si6 C44 107.1(5) . . ?
C43 Si6 C44 106.5(4) . . ?
N7 Si6 Yb 34.44(19) . . ?
C42 Si6 Yb 130.0(3) . . ?
C43 Si6 Yb 74.4(3) . . ?
C44 Si6 Yb 120.7(3) . . ?
N1 C1 N2 114.0(6) . . ?
N1 C1 N3 123.3(6) . . ?
N2 C1 N3 122.6(6) . . ?
N1 C1 Yb 57.6(3) . . ?
N2 C1 Yb 56.5(3) . . ?
N3 C1 Yb 175.7(4) . . ?
N1 C2 C7 110.6(6) . . ?
N1 C2 C3 111.5(6) . . ?
C7 C2 C3 109.6(6) . . ?
C4 C3 C2 113.4(7) . . ?
C3 C4 C5 110.2(7) . . ?
C6 C5 C4 110.4(8) . . ?
C5 C6 C7 112.8(7) . . ?
C2 C7 C6 111.0(6) . . ?
N2 C8 C9 108.1(6) . . ?
N2 C8 C13 112.6(6) . . ?
C9 C8 C13 109.5(7) . . ?
C8 C9 C10 112.3(7) . . ?
C11 C10 C9 112.2(8) . . ?
C10 C11 C12 112.4(9) . . ?
C13 C12 C11 108.8(8) . . ?
C8 C13 C12 111.2(7) . . ?
N4 C20 N5 115.0(6) . . ?
N4 C20 N6 122.9(6) . . ?
N5 C20 N6 122.1(6) . . ?
N4 C20 Yb 58.1(3) . . ?
N5 C20 Yb 57.1(3) . . ?
N6 C20 Yb 176.0(5) . . ?
N4 C21 C22 111.0(6) . . ?
N4 C21 C26 111.0(6) . . ?
C22 C21 C26 108.3(6) . . ?
C21 C22 C23 111.4(7) . . ?
C24 C23 C22 109.9(8) . . ?
C23 C24 C25 110.4(8) . . ?
C24 C25 C26 109.1(7) . . ?
C25 C26 C21 113.1(7) . . ?
N5 C27 C32 109.0(6) . . ?
N5 C27 C28 112.3(6) . . ?
C32 C27 C28 110.1(7) . . ?
C29 C28 C27 109.9(8) . . ?
C30 C29 C28 111.4(9) . . ?
C31 C30 C29 114.3(9) . . ?
C30 C31 C32 112.1(9) . . ?
C27 C32 C31 111.9(8) . . ?
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 N7 2.222(6) . ?
Yb N5 2.316(6) . ?
Yb N2 2.318(5) . ?
Yb N4 2.342(5) . ?
Yb N1 2.343(5) . ?
Yb C20 2.754(7) . ?
Yb C1 2.769(6) . ?
Yb Si6 3.416(2) . ?
Yb Si5 3.422(2) . ?
N1 C1 1.316(8) . ?
N1 C2 1.462(8) . ?
N2 C1 1.345(8) . ?
N2 C8 1.458(9) . ?
N3 C1 1.438(8) . ?
N3 Si2 1.750(6) . ?
N3 Si1 1.754(6) . ?
N4 C20 1.312(8) . ?
N4 C21 1.447(8) . ?
N5 C20 1.338(9) . ?
N5 C27 1.476(9) . ?
N6 C20 1.458(8) . ?
N6 Si4 1.734(7) . ?
N6 Si3 1.767(6) . ?
N7 Si6 1.718(6) . ?
N7 Si5 1.722(6) . ?
Si1 C15 1.860(10) . ?
Si1 C16 1.863(10) . ?
Si1 C14 1.865(9) . ?
Si2 C17 1.846(10) . ?
Si2 C18 1.849(10) . ?
Si2 C19 1.857(11) . ?
Si3 C35 1.853(10) . ?
Si3 C33 1.859(10) . ?
Si3 C34 1.859(10) . ?
Si4 C37 1.791(13) . ?
Si4 C38 1.810(12) . ?
Si4 C36 1.870(13) . ?
Si5 C40 1.858(9) . ?
Si5 C39 1.863(9) . ?
Si5 C41 1.878(8) . ?
Si6 C42 1.886(9) . ?
Si6 C43 1.887(9) . ?
Si6 C44 1.893(9) . ?
C2 C7 1.530(9) . ?
C2 C3 1.532(10) . ?
C3 C4 1.506(11) . ?
C4 C5 1.552(12) . ?
C5 C6 1.479(14) . ?
C6 C7 1.542(11) . ?
C8 C9 1.520(11) . ?
C8 C13 1.536(10) . ?
C9 C10 1.529(12) . ?
C10 C11 1.511(15) . ?
C11 C12 1.560(16) . ?
C12 C13 1.550(11) . ?
C21 C22 1.512(10) . ?
C21 C26 1.532(11) . ?
C22 C23 1.556(11) . ?
C23 C24 1.514(16) . ?
C24 C25 1.530(13) . ?
C25 C26 1.530(11) . ?
C27 C32 1.519(11) . ?
C27 C28 1.546(11) . ?
C28 C29 1.521(12) . ?
C29 C30 1.496(16) . ?
C30 C31 1.474(16) . ?
C31 C32 1.520(12) . ?
