#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:39:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178661 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/72/4077282.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_4077282
loop_
_publ_author_name
'Zi, Guofu'
'Yang, Qingchuan'
'Mak, Thomas C. W.'
'Xie, Zuowei'
_publ_section_title
;
 Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis
 and Structural Characterization of Organolanthanide Compounds Derived
 from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2359
_journal_paper_doi               10.1021/om010031i
_journal_volume                  20
_journal_year                    2001
_chemical_formula_sum            'C25 H58 B10 Cl2 Li O6 Si Yb'
_chemical_formula_weight         841.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.540(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4780(11)
_cell_length_b                   15.1470(12)
_cell_length_c                   16.9650(11)
_cell_measurement_temperature    294(2)
_cell_volume                     4133.3(5)
_computing_cell_refinement       'BIOTEX Rigaku'
_computing_data_collection       'RAXIS Rigaku'
_computing_data_reduction        'BIOTEX Rigaku'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.882
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_device_type  'IP Rigaku'
_diffrn_measurement_method       IP
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotation anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0821
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5729
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.454
_exptl_absorpt_correction_T_max  1.241
_exptl_absorpt_correction_T_min  0.785
_exptl_absorpt_correction_type   abscor
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1708
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       0.00427(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5729
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.603
_refine_ls_shift/su_mean         0.033
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0532P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                5220
_reflns_number_total             5729
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010031i.cif
_cod_data_source_block           compound_10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4077282
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Yb1 Yb 0.904332(6) 0.079464(8) 0.025637(6) 0.06506(4) Uani 1 1 d . . .
Cl1 Cl 0.91991(5) 0.23766(6) -0.01498(6) 0.1102(3) Uani 1 1 d . . .
Cl2 Cl 1.07065(4) 0.07347(5) 0.03833(5) 0.0796(2) Uani 1 1 d . . .
Si1 Si 0.69717(5) 0.06202(7) 0.08767(5) 0.0833(3) Uani 1 1 d . . .
C1 C 0.67742(16) 0.06726(18) -0.02767(17) 0.0722(9) Uani 1 1 d . . .
C2 C 0.76371(15) 0.07170(17) -0.06709(16) 0.0712(9) Uani 1 1 d . . .
C3 C 0.81171(14) 0.06364(18) 0.12896(14) 0.0697(8) Uani 1 1 d . . .
C4 C 0.86449(14) -0.01231(19) 0.14205(13) 0.0687(8) Uani 1 1 d . . .
C5 C 0.94662(15) 0.0162(2) 0.17443(15) 0.0813(10) Uani 1 1 d . . .
C6 C 0.94646(17) 0.1095(2) 0.18205(16) 0.0836(10) Uani 1 1 d . . .
C7 C 0.86411(17) 0.1379(2) 0.15477(15) 0.0846(10) Uani 1 1 d . . .
C8 C 0.84118(17) -0.1080(2) 0.13100(18) 0.0889(10) Uani 1 1 d . . .
H8A H 0.7827 -0.1130 0.1081 0.133 Uiso 1 1 calc R . .
H8B H 0.8539 -0.1373 0.1824 0.133 Uiso 1 1 calc R . .
H8C H 0.8720 -0.1349 0.0954 0.133 Uiso 1 1 calc R . .
C9 C 1.02045(17) -0.0436(2) 0.20171(18) 0.1034(12) Uani 1 1 d . . .
H9A H 1.0040 -0.1037 0.1897 0.155 Uiso 1 1 calc R . .
H9B H 1.0410 -0.0371 0.2588 0.155 Uiso 1 1 calc R . .
H9C H 1.0634 -0.0280 0.1740 0.155 Uiso 1 1 calc R . .
C10 C 1.0214(2) 0.1656(3) 0.2197(2) 0.1257(16) Uani 1 1 d . . .
H10A H 1.0702 0.1291 0.2316 0.189 Uiso 1 1 calc R . .
H10B H 1.0126 0.1919 0.2686 0.189 Uiso 1 1 calc R . .
H10C H 1.0288 0.2112 0.1825 0.189 Uiso 1 1 calc R . .
C11 C 0.8363(2) 0.2342(2) 0.15923(19) 0.1145(14) Uani 1 1 d . . .
H11A H 0.7774 0.2384 0.1384 0.172 Uiso 1 1 calc R . .
H11B H 0.8648 0.2707 0.1277 0.172 Uiso 1 1 calc R . .
H11C H 0.8493 0.2536 0.2144 0.172 Uiso 1 1 calc R . .
C12 C 0.64824(17) -0.0398(3) 0.11633(19) 0.1186(13) Uani 1 1 d . . .
H12A H 0.5894 -0.0379 0.0944 0.178 Uiso 1 1 calc R . .
H12B H 0.6583 -0.0439 0.1741 0.178 Uiso 1 1 calc R . .
H12C H 0.6717 -0.0903 0.0953 0.178 Uiso 1 1 calc R . .
C13 C 0.64196(17) 0.1596(2) 0.12166(18) 0.1221(14) Uani 1 1 d . . .
H13A H 0.6662 0.2134 0.1075 0.183 Uiso 1 1 calc R . .
H13B H 0.6475 0.1572 0.1791 0.183 Uiso 1 1 calc R . .
H13C H 0.5841 0.1579 0.0956 0.183 Uiso 1 1 calc R . .
C21 C 0.17161(7) -0.0081(4) -0.60608(12) 0.362(5) Uani 1 1 d D . .
H21A H 0.1420 0.0469 -0.6142 0.543 Uiso 1 1 calc R . .
H21B H 0.1389 -0.0511 -0.5853 0.543 Uiso 1 1 calc R . .
H21C H 0.1820 -0.0284 -0.6566 0.543 Uiso 1 1 calc R . .
O1 O 0.24731(7) 0.00406(6) -0.55090(11) 0.1880(16) Uani 1 1 d D . .
C22 C 0.27866(6) -0.08211(7) -0.54710(12) 0.277(4) Uani 1 1 d D . .
H22A H 0.2842 -0.1012 -0.6002 0.333 Uiso 1 1 calc R . .
H22B H 0.2411 -0.1222 -0.5282 0.333 Uiso 1 1 calc R . .
C23 C 0.36426(8) -0.08229(10) -0.48822(6) 0.285(5) Uani 1 1 d D A .
H23A H 0.3785 -0.1425 -0.4713 0.342 Uiso 1 1 calc R . .
H23B H 0.4057 -0.0614 -0.5166 0.342 Uiso 1 1 calc R . .
O2 O 0.36786(6) -0.03009(8) -0.41947(4) 0.1636(15) Uani 1 1 d D . .
C24 C 0.44730(7) -0.0385(4) -0.36990(14) 0.248(4) Uiso 0.824(4) 1 d PD A 1
H24A H 0.4497 -0.0065 -0.3206 0.372 Uiso 0.824(4) 1 calc PR A 1
H24B H 0.4878 -0.0150 -0.3973 0.372 Uiso 0.824(4) 1 calc PR A 1
H24C H 0.4590 -0.0997 -0.3579 0.372 Uiso 0.824(4) 1 calc PR A 1
C24' C 0.34778(15) -0.07786(13) -0.35567(8) 0.128(9) Uiso 0.176(4) 1 d PD A 2
H24D H 0.3404 -0.0378 -0.3139 0.193 Uiso 0.176(4) 1 calc PR A 2
H24E H 0.3920 -0.1183 -0.3344 0.193 Uiso 0.176(4) 1 calc PR A 2
H24F H 0.2972 -0.1102 -0.3749 0.193 Uiso 0.176(4) 1 calc PR A 2
C31 C 0.2280(4) -0.0964(3) -0.3411(3) 0.207(3) Uani 1 1 d D A .
H31A H 0.2868 -0.1062 -0.3336 0.311 Uiso 1 1 calc R . .
H31B H 0.1988 -0.1373 -0.3805 0.311 Uiso 1 1 calc R . .
H31C H 0.2114 -0.1052 -0.2908 0.311 Uiso 1 1 calc R . .
O3 O 0.20936(16) -0.01112(19) -0.36772(16) 0.1539(12) Uani 1 1 d D . .
C32 C 0.1260(3) -0.0019(3) -0.3855(4) 0.244(4) Uani 1 1 d D A .
H32A H 0.1027 -0.0154 -0.3390 0.293 Uiso 1 1 calc R . .
H32B H 0.1005 -0.0399 -0.4300 0.293 Uiso 1 1 calc R . .
C33 C 0.1136(3) 0.1005(4) -0.4099(3) 0.379(5) Uani 1 1 d D . .
H33A H 0.0558 0.1095 -0.4364 0.455 Uiso 1 1 calc R A .
H33B H 0.1242 0.1352 -0.3606 0.455 Uiso 1 1 calc R . .
O4 O 0.16406(17) 0.1339(2) -0.4609(2) 0.2261(15) Uani 1 1 d D A .
C34 C 0.1735(7) 0.2241(4) -0.4371(6) 0.207(5) Uiso 0.50 1 d PD A 1
H34A H 0.1293 0.2582 -0.4692 0.310 Uiso 0.50 1 calc PR A 1
H34B H 0.2260 0.2456 -0.4451 0.310 Uiso 0.50 1 calc PR A 1
H34C H 0.1717 0.2292 -0.3812 0.310 Uiso 0.50 1 calc PR A 1
C34' C 0.1382(6) 0.2006(4) -0.5145(4) 0.156(3) Uiso 0.50 1 d PD A 2
H34D H 0.1738 0.2036 -0.5523 0.234 Uiso 0.50 1 calc PR A 2
H34E H 0.1405 0.2555 -0.4859 0.234 Uiso 0.50 1 calc PR A 2
H34F H 0.0821 0.1895 -0.5429 0.234 Uiso 0.50 1 calc PR A 2
C41 C 0.3092(4) 0.1965(6) -0.3156(4) 0.248(4) Uiso 0.671(6) 1 d PD A 1
H41A H 0.2741 0.1530 -0.2987 0.372 Uiso 0.671(6) 1 calc PR A 1
H41B H 0.2768 0.2475 -0.3358 0.372 Uiso 0.671(6) 1 calc PR A 1
H41C H 0.3525 0.2131 -0.2705 0.372 Uiso 0.671(6) 1 calc PR A 1
C41' C 0.3506(6) 0.1877(7) -0.2958(3) 0.109(3) Uiso 0.329(6) 1 d PD A 2
H41D H 0.3038 0.1651 -0.2769 0.163 Uiso 0.329(6) 1 calc PR A 2
H41E H 0.3508 0.2510 -0.2929 0.163 Uiso 0.329(6) 1 calc PR A 2
H41F H 0.4010 0.1650 -0.2628 0.163 Uiso 0.329(6) 1 calc PR A 2
O5 O 0.3447(3) 0.1610(2) -0.3768(2) 0.241(2) Uani 1 1 d D . .
C42 C 0.4010(4) 0.2178(4) -0.3958(3) 0.389(5) Uani 1 1 d D A .
H42A H 0.4563 0.2012 -0.3668 0.466 Uiso 1 1 calc R . .
H42B H 0.3897 0.2769 -0.3792 0.466 Uiso 1 1 calc R . .
C43 C 0.3978(3) 0.2172(4) -0.4879(3) 0.278(4) Uani 1 1 d D . .
H43A H 0.3869 0.2771 -0.5073 0.334 Uiso 1 1 calc R A .
H43B H 0.4529 0.2017 -0.4951 0.334 Uiso 1 1 calc R . .
O6 O 0.3433(3) 0.1644(3) -0.5362(2) 0.294(2) Uani 1 1 d D A .
C44 C 0.3363(5) 0.1525(6) -0.6162(3) 0.388(5) Uani 1 1 d D . .
H44A H 0.3015 0.1023 -0.6338 0.582 Uiso 1 1 calc R A .
H44B H 0.3904 0.1427 -0.6269 0.582 Uiso 1 1 calc R . .
H44C H 0.3121 0.2042 -0.6447 0.582 Uiso 1 1 calc R . .
B3 B 0.70130(19) 0.1627(2) -0.06907(19) 0.0799(11) Uani 1 1 d . . .
H3 H 0.7233 0.2222 -0.0336 0.096 Uiso 1 1 calc R . .
B4 B 0.5955(2) 0.1254(3) -0.0816(2) 0.0933(13) Uani 1 1 d . . .
H4 H 0.5489 0.1597 -0.0553 0.112 Uiso 1 1 calc R . .
B5 B 0.59860(19) 0.0095(3) -0.0879(2) 0.0925(14) Uani 1 1 d . . .
H5 H 0.5538 -0.0323 -0.0657 0.111 Uiso 1 1 calc R . .
B6 B 0.70494(17) -0.0218(3) -0.07734(19) 0.0795(12) Uani 1 1 d . . .
H6 H 0.7291 -0.0839 -0.0476 0.095 Uiso 1 1 calc R . .
B7 B 0.7386(2) 0.1350(3) -0.1536(2) 0.0962(14) Uani 1 1 d . . .
H7 H 0.7845 0.1761 -0.1750 0.115 Uiso 1 1 calc R . .
B8 B 0.7416(2) 0.0196(3) -0.15840(19) 0.0855(13) Uani 1 1 d . . .
H8 H 0.7893 -0.0152 -0.1830 0.103 Uiso 1 1 calc R . .
B9 B 0.6369(2) -0.0191(3) -0.1740(2) 0.1022(15) Uani 1 1 d . . .
H9 H 0.6163 -0.0792 -0.2091 0.123 Uiso 1 1 calc R . .
B10 B 0.5703(2) 0.0730(3) -0.1759(2) 0.1072(19) Uani 1 1 d . . .
H10 H 0.5060 0.0734 -0.2117 0.129 Uiso 1 1 calc R . .
B11 B 0.6344(2) 0.1692(3) -0.1663(2) 0.1075(16) Uani 1 1 d . . .
H11 H 0.6125 0.2320 -0.1959 0.129 Uiso 1 1 calc R . .
B12 B 0.6579(3) 0.0794(3) -0.2202(2) 0.1060(19) Uani 1 1 d . . .
H12 H 0.6504 0.0834 -0.2861 0.127 Uiso 1 1 calc R . .
Li1 Li 0.2715(5) 0.0667(5) -0.4451(5) 0.135(3) Uani 1 1 d . A .
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
C2 Yb1 Cl1 90.47(6) . .
C2 Yb1 C3 79.56(8) . .
Cl1 Yb1 C3 112.66(6) . .
C2 Yb1 C7 100.15(9) . .
Cl1 Yb1 C7 88.08(7) . .
C3 Yb1 C7 32.16(9) . .
C2 Yb1 C4 95.72(8) . .
Cl1 Yb1 C4 140.29(7) . .
C3 Yb1 C4 32.00(8) . .
C7 Yb1 C4 52.21(9) . .
C2 Yb1 Cl2 84.61(6) . 3_755
Cl1 Yb1 Cl2 133.65(3) . 3_755
C3 Yb1 Cl2 111.63(6) . 3_755
C7 Yb1 Cl2 138.18(7) . 3_755
C4 Yb1 Cl2 86.04(6) . 3_755
C2 Yb1 C6 130.29(9) . .
Cl1 Yb1 C6 95.21(8) . .
C3 Yb1 C6 52.78(8) . .
C7 Yb1 C6 31.20(9) . .
C4 Yb1 C6 52.03(9) . .
Cl2 Yb1 C6 122.54(7) 3_755 .
C2 Yb1 C5 126.70(8) . .
Cl1 Yb1 C5 125.67(7) . .
C3 Yb1 C5 52.35(7) . .
C7 Yb1 C5 51.50(9) . .
C4 Yb1 C5 31.15(7) . .
Cl2 Yb1 C5 92.41(7) 3_755 .
C6 Yb1 C5 31.20(10) . .
C2 Yb1 Cl2 146.30(7) . .
Cl1 Yb1 Cl2 83.81(2) . .
C3 Yb1 Cl2 133.12(5) . .
C7 Yb1 Cl2 112.76(6) . .
C4 Yb1 Cl2 109.79(5) . .
Cl2 Yb1 Cl2 75.88(2) 3_755 .
C6 Yb1 Cl2 83.37(7) . .
C5 Yb1 Cl2 81.92(6) . .
C2 Yb1 Yb1 118.43(6) . 3_755
Cl1 Yb1 Yb1 111.23(2) . 3_755
C3 Yb1 Yb1 132.05(6) . 3_755
C7 Yb1 Yb1 135.60(6) . 3_755
C4 Yb1 Yb1 100.05(6) . 3_755
Cl2 Yb1 Yb1 38.571(15) 3_755 3_755
C6 Yb1 Yb1 105.19(7) . 3_755
C5 Yb1 Yb1 86.33(6) . 3_755
Cl2 Yb1 Yb1 37.311(15) . 3_755
Yb1 Cl2 Yb1 104.12(2) 3_755 .
C12 Si1 C3 112.01(13) . .
C12 Si1 C13 107.77(16) . .
C3 Si1 C13 112.95(13) . .
C12 Si1 C1 108.40(13) . .
C3 Si1 C1 108.47(12) . .
C13 Si1 C1 107.04(13) . .
B3 C1 B4 64.1(2) . .
B3 C1 B5 113.8(2) . .
B4 C1 B5 62.1(2) . .
B3 C1 B6 111.1(2) . .
B4 C1 B6 114.1(2) . .
B5 C1 B6 63.15(19) . .
B3 C1 C2 60.82(17) . .
B4 C1 C2 113.7(2) . .
B5 C1 C2 112.2(2) . .
B6 C1 C2 60.08(17) . .
B3 C1 Si1 117.19(18) . .
B4 C1 Si1 120.7(2) . .
B5 C1 Si1 121.9(2) . .
B6 C1 Si1 117.93(18) . .
C2 C1 Si1 115.65(16) . .
B6 C2 B8 61.21(19) . .
B6 C2 C1 60.09(17) . .
B8 C2 C1 107.91(19) . .
B6 C2 B3 109.9(2) . .
B8 C2 B3 110.2(2) . .
C1 C2 B3 59.34(17) . .
B6 C2 B7 110.4(2) . .
B8 C2 B7 61.3(2) . .
C1 C2 B7 106.8(2) . .
B3 C2 B7 60.34(19) . .
B6 C2 Yb1 122.08(16) . .
B8 C2 Yb1 125.29(17) . .
C1 C2 Yb1 119.59(16) . .
B3 C2 Yb1 116.32(16) . .
B7 C2 Yb1 121.76(18) . .
C7 C3 C4 106.2(2) . .
C7 C3 Si1 128.4(2) . .
C4 C3 Si1 125.41(19) . .
C7 C3 Yb1 74.14(15) . .
C4 C3 Yb1 75.52(14) . .
Si1 C3 Yb1 116.54(11) . .
C5 C4 C3 108.3(2) . .
C5 C4 C8 122.7(2) . .
C3 C4 C8 128.8(2) . .
C5 C4 Yb1 75.81(15) . .
C3 C4 Yb1 72.47(15) . .
C8 C4 Yb1 121.26(17) . .
C4 C5 C6 108.6(2) . .
C4 C5 C9 125.3(3) . .
C6 C5 C9 126.0(2) . .
C4 C5 Yb1 73.04(14) . .
C6 C5 Yb1 73.79(16) . .
C9 C5 Yb1 122.56(19) . .
C7 C6 C5 107.2(3) . .
C7 C6 C10 127.4(3) . .
C5 C6 C10 125.2(3) . .
C7 C6 Yb1 72.29(15) . .
C5 C6 Yb1 75.01(15) . .
C10 C6 Yb1 122.1(2) . .
C6 C7 C3 109.8(3) . .
C6 C7 C11 123.5(3) . .
C3 C7 C11 126.6(2) . .
C6 C7 Yb1 76.51(17) . .
C3 C7 Yb1 73.69(15) . .
C11 C7 Yb1 120.1(2) . .
C21 O1 C22 100.0(2) . .
C21 O1 Li1 129.8(3) . .
C22 O1 Li1 113.8(2) . .
O1 C22 C23 107.94(10) . .
O2 C23 C22 113.97(11) . .
C24' O2 C24 80.55(19) . .
C24' O2 C23 112.20(12) . .
C24 O2 C23 108.3(2) . .
C24' O2 Li1 102.8(3) . .
C24 O2 Li1 137.9(3) . .
C23 O2 Li1 108.8(2) . .
C32 O3 C31 108.2(4) . .
C32 O3 Li1 113.5(4) . .
C31 O3 Li1 127.1(4) . .
O3 C32 C33 102.9(4) . .
O4 C33 C32 116.3(4) . .
C34' O4 C33 122.1(5) . .
C34' O4 C34 58.5(5) . .
C33 O4 C34 102.2(5) . .
C34' O4 Li1 127.1(5) . .
C33 O4 Li1 110.7(4) . .
C34 O4 Li1 114.2(5) . .
C41' O5 C42 98.3(5) . .
C41' O5 C41 28.9(5) . .
C42 O5 C41 110.5(5) . .
C41' O5 Li1 130.8(5) . .
C42 O5 Li1 130.9(4) . .
C41 O5 Li1 113.2(5) . .
O5 C42 C43 111.1(4) . .
O6 C43 C42 119.4(5) . .
C43 O6 C44 126.4(5) . .
C43 O6 Li1 107.9(3) . .
C44 O6 Li1 124.8(5) . .
C1 B3 C2 59.84(18) . .
C1 B3 B7 107.1(3) . .
C2 B3 B7 60.2(2) . .
C1 B3 B11 106.2(2) . .
C2 B3 B11 108.1(3) . .
B7 B3 B11 60.3(2) . .
C1 B3 B4 58.27(19) . .
C2 B3 B4 108.1(3) . .
B7 B3 B4 109.5(2) . .
B11 B3 B4 61.2(2) . .
C1 B4 B10 105.1(3) . .
C1 B4 B5 59.14(19) . .
B10 B4 B5 59.9(2) . .
C1 B4 B3 57.61(18) . .
B10 B4 B3 106.4(3) . .
B5 B4 B3 106.3(3) . .
C1 B4 B11 103.8(3) . .
B10 B4 B11 59.9(2) . .
B5 B4 B11 107.2(3) . .
B3 B4 B11 58.78(19) . .
C1 B5 B10 104.8(3) . .
C1 B5 B4 58.8(2) . .
B10 B5 B4 59.9(2) . .
C1 B5 B9 105.0(2) . .
B10 B5 B9 60.5(2) . .
B4 B5 B9 108.4(3) . .
C1 B5 B6 58.27(18) . .
B10 B5 B6 107.8(3) . .
B4 B5 B6 107.4(3) . .
B9 B5 B6 59.92(18) . .
C2 B6 C1 59.83(19) . .
C2 B6 B8 59.5(2) . .
C1 B6 B8 106.4(3) . .
C2 B6 B9 107.8(3) . .
C1 B6 B9 104.9(2) . .
B8 B6 B9 61.19(19) . .
C2 B6 B5 108.2(3) . .
C1 B6 B5 58.58(19) . .
B8 B6 B5 109.1(2) . .
B9 B6 B5 59.49(18) . .
C2 B7 B3 59.51(18) . .
C2 B7 B8 58.74(19) . .
B3 B7 B8 107.4(3) . .
C2 B7 B12 106.7(3) . .
B3 B7 B12 107.1(3) . .
B8 B7 B12 61.2(2) . .
C2 B7 B11 108.4(3) . .
B3 B7 B11 61.2(2) . .
B8 B7 B11 109.0(3) . .
B12 B7 B11 58.8(2) . .
C2 B8 B6 59.32(18) . .
C2 B8 B7 59.93(19) . .
B6 B8 B7 107.8(3) . .
C2 B8 B12 106.5(3) . .
B6 B8 B12 106.9(2) . .
B7 B8 B12 59.7(2) . .
C2 B8 B9 107.2(2) . .
B6 B8 B9 60.49(19) . .
B7 B8 B9 107.3(3) . .
B12 B8 B9 58.8(2) . .
B12 B9 B10 60.2(3) . .
B12 B9 B6 106.6(3) . .
B10 B9 B6 107.4(3) . .
B12 B9 B5 107.5(3) . .
B10 B9 B5 59.3(2) . .
B6 B9 B5 60.59(18) . .
B12 B9 B8 60.6(2) . .
B10 B9 B8 108.6(3) . .
B6 B9 B8 58.32(18) . .
B5 B9 B8 107.7(2) . .
B5 B10 B4 60.3(2) . .
B5 B10 B9 60.2(2) . .
B4 B10 B9 108.5(3) . .
B5 B10 B12 107.5(3) . .
B4 B10 B12 108.0(3) . .
B9 B10 B12 59.4(2) . .
B5 B10 B11 109.1(3) . .
B4 B10 B11 61.9(2) . .
B9 B10 B11 106.8(3) . .
B12 B10 B11 58.2(2) . .
B12 B11 B7 60.6(2) . .
B12 B11 B10 60.4(3) . .
B7 B11 B10 108.2(3) . .
B12 B11 B3 106.4(3) . .
B7 B11 B3 58.53(19) . .
B10 B11 B3 106.0(3) . .
B12 B11 B4 106.7(3) . .
B7 B11 B4 107.3(3) . .
B10 B11 B4 58.1(2) . .
B3 B11 B4 60.05(19) . .
B11 B12 B9 110.2(3) . .
B11 B12 B7 60.6(2) . .
B9 B12 B7 108.4(3) . .
B11 B12 B10 61.4(2) . .
B9 B12 B10 60.4(2) . .
B7 B12 B10 109.0(3) . .
B11 B12 B8 108.8(3) . .
B9 B12 B8 60.6(2) . .
B7 B12 B8 59.1(2) . .
B10 B12 B8 108.7(3) . .
O4 Li1 O1 97.1(3) . .
O4 Li1 O5 96.6(3) . .
O1 Li1 O5 144.7(5) . .
O4 Li1 O2 165.9(5) . .
O1 Li1 O2 81.4(3) . .
O5 Li1 O2 92.4(3) . .
O4 Li1 O3 80.7(3) . .
O1 Li1 O3 104.9(3) . .
O5 Li1 O3 109.3(4) . .
O2 Li1 O3 86.1(3) . .
O4 Li1 O6 97.7(3) . .
O1 Li1 O6 76.3(3) . .
O5 Li1 O6 69.7(3) . .
O2 Li1 O6 95.6(3) . .
O3 Li1 O6 178.1(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 C2 2.505(2) .
Yb1 Cl1 2.5218(9) .
Yb1 C3 2.573(3) .
Yb1 C7 2.579(3) .
Yb1 C4 2.613(3) .
Yb1 Cl2 2.6283(8) 3_755
Yb1 C6 2.633(3) .
Yb1 C5 2.648(3) .
Yb1 Cl2 2.7035(7) .
Yb1 Yb1 4.2051(3) 3_755
Cl2 Yb1 2.6283(8) 3_755
Si1 C12 1.853(4) .
Si1 C3 1.865(2) .
Si1 C13 1.891(4) .
Si1 C1 1.914(3) .
C1 B3 1.690(5) .
C1 B4 1.702(4) .
C1 B5 1.709(4) .
C1 B6 1.703(5) .
C1 C2 1.699(4) .
C2 B6 1.703(4) .
C2 B8 1.706(4) .
C2 B3 1.715(4) .
C2 B7 1.727(4) .
C3 C7 1.427(4) .
C3 C4 1.430(4) .
C4 C5 1.413(3) .
C4 C8 1.501(4) .
C5 C6 1.420(5) .
C5 C9 1.506(4) .
C6 C7 1.402(4) .
C6 C10 1.521(4) .
C7 C11 1.536(4) .
C21 O1 1.3997(15) .
O1 C22 1.4000(12) .
O1 Li1 1.992(8) .
C22 C23 1.5413(13) .
C23 O2 1.3996(13) .
O2 C24' 1.4000(15) .
O2 C24 1.3995(14) .
O2 Li1 2.136(8) .
C31 O3 1.381(5) .
O3 C32 1.348(5) .
O3 Li1 2.178(9) .
C32 C33 1.607(7) .
C33 O4 1.418(6) .
O4 C34' 1.363(7) .
O4 C34 1.423(7) .
O4 Li1 2.008(9) .
C41 O5 1.405(7) .
C41' O5 1.415(7) .
O5 C42 1.355(7) .
O5 Li1 2.057(8) .
C42 C43 1.551(6) .
C43 O6 1.341(6) .
O6 C44 1.348(5) .
O6 Li1 2.602(10) .
B3 B7 1.730(5) .
B3 B11 1.777(4) .
B3 B4 1.801(5) .
B4 B10 1.752(6) .
B4 B5 1.759(6) .
B4 B11 1.821(6) .
B5 B10 1.752(5) .
B5 B9 1.767(5) .
B5 B6 1.786(4) .
B6 B8 1.735(5) .
B6 B9 1.775(4) .
B7 B8 1.751(6) .
B7 B12 1.761(5) .
B7 B11 1.761(6) .
B8 B12 1.787(5) .
B8 B9 1.787(5) .
B9 B12 1.754(6) .
B9 B10 1.772(6) .
B10 B12 1.768(6) .
B10 B11 1.785(6) .
B11 B12 1.729(6) .
