#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:35:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178658 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/69/4076927.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_4076927
loop_
_publ_author_name
'Zi, Guofu'
'Li, Hung-Wing'
'Xie, Zuowei'
_publ_section_title
;
 Synthesis, Structural Characterization, and Reactivity of
 Lanthanacarboranes Incorporating “Carbons-Adjacent”nido-
 andarachno-Carborane Anions of the C2B10System
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3464
_journal_paper_doi               10.1021/om020299p
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C60 H76 B20 Cl N8 Na Yb2'
_chemical_formula_weight         1530.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 111.454(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.2618(17)
_cell_length_b                   11.2602(10)
_cell_length_c                   21.324(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4081.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21929
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    2.353
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5122
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.42
_refine_diff_density_max         0.875
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         7145
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.268
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0726P)²+4.8597P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1283
_refine_ls_wR_factor_ref         0.1361
_reflns_number_gt                5634
_reflns_number_total             7145
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020299p.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4081.0(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4076927
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Yb1 Yb 0.586333(7) 0.069463(10) 0.922310(6) 0.04749(3) Uani 1 1 d .
Cl1 Cl 0.5000 0.0000 1.0000 0.0612(3) Uani 1 2 d S
Na1 Na 0.65845(14) 0.0075(2) 0.70541(12) 0.0696(8) Uani 0.50 1 d P
C1 C 0.43507(15) 0.0631(2) 0.81033(13) 0.0445(8) Uani 1 1 d .
C2 C 0.44093(15) 0.1825(2) 0.83566(13) 0.0461(8) Uani 1 1 d .
C3 C 0.38332(16) 0.2173(2) 0.86890(15) 0.0548(9) Uani 1 1 d .
H3A H 0.4034 0.1891 0.9151 0.066 Uiso 1 1 calc R
H3B H 0.3806 0.3032 0.8701 0.066 Uiso 1 1 calc R
C4 C 0.30178(16) 0.1692(2) 0.83420(14) 0.0545(8) Uani 1 1 d .
C5 C 0.23395(16) 0.2332(3) 0.82501(16) 0.0659(10) Uani 1 1 d .
H5A H 0.2375 0.3108 0.8408 0.079 Uiso 1 1 calc R
C6 C 0.16055(19) 0.1819(3) 0.79225(18) 0.0819(12) Uani 1 1 d .
H6A H 0.1151 0.2250 0.7863 0.098 Uiso 1 1 calc R
C7 C 0.15527(19) 0.0669(3) 0.76857(19) 0.0773(12) Uani 1 1 d .
H7A H 0.1061 0.0325 0.7469 0.093 Uiso 1 1 calc R
C8 C 0.22174(17) 0.0034(3) 0.77676(15) 0.0624(10) Uani 1 1 d .
H8A H 0.2173 -0.0736 0.7601 0.075 Uiso 1 1 calc R
C9 C 0.29595(16) 0.0520(2) 0.80962(14) 0.0502(8) Uani 1 1 d .
C10 C 0.37149(15) -0.0133(2) 0.82105(14) 0.0506(8) Uani 1 1 d .
H10A H 0.3606 -0.0807 0.7907 0.061 Uiso 1 1 calc R
H10B H 0.3915 -0.0438 0.8668 0.061 Uiso 1 1 calc R
C22 C 0.7830(2) 0.1090(4) 0.9504(2) 0.0978(15) Uani 1 1 d .
H22A H 0.7591 0.1530 0.9113 0.117 Uiso 1 1 calc R
C23 C 0.8596(3) 0.1132(7) 0.9774(4) 0.166(3) Uani 1 1 d .
H23A H 0.8882 0.1526 0.9556 0.199 Uiso 1 1 calc R
C24 C 0.8938(4) 0.0639(6) 1.0326(4) 0.171(3) Uani 1 1 d .
H24A H 0.9481 0.0712 1.0532 0.205 Uiso 1 1 calc R
C25 C 0.8538(3) -0.0007(7) 1.0636(3) 0.157(3) Uani 1 1 d .
H25A H 0.8800 -0.0358 1.1053 0.189 Uiso 1 1 calc R
C26 C 0.7726(3) -0.0129(6) 1.0315(2) 0.1190(19) Uani 1 1 d .
H26A H 0.7450 -0.0622 1.0500 0.143 Uiso 1 1 calc R
C32 C 0.6606(2) -0.2025(3) 0.8989(2) 0.0903(14) Uani 1 1 d .
H32A H 0.7025 -0.1542 0.9003 0.108 Uiso 1 1 calc R
C33 C 0.6587(3) -0.3181(4) 0.8768(2) 0.1143(17) Uani 1 1 d .
H33A H 0.6979 -0.3450 0.8621 0.137 Uiso 1 1 calc R
C34 C 0.5988(4) -0.3949(4) 0.8764(3) 0.132(2) Uani 1 1 d .
H34A H 0.5967 -0.4738 0.8630 0.158 Uiso 1 1 calc R
C35 C 0.5455(3) -0.3477(4) 0.8965(2) 0.1124(19) Uani 1 1 d .
H35A H 0.5046 -0.3963 0.8969 0.135 Uiso 1 1 calc R
C36 C 0.5454(2) -0.2384(3) 0.91581(18) 0.0803(13) Uani 1 1 d .
H36A H 0.5043 -0.2133 0.9285 0.096 Uiso 1 1 calc R
C42 C 0.6136(4) 0.3573(4) 0.9950(2) 0.169(3) Uani 1 1 d .
H42A H 0.5838 0.3795 0.9510 0.202 Uiso 1 1 calc R
C43 C 0.6363(6) 0.4422(4) 1.0413(3) 0.210(4) Uani 1 1 d .
H43A H 0.6225 0.5205 1.0286 0.252 Uiso 1 1 calc R
C44 C 0.6766(3) 0.4188(4) 1.1027(2) 0.118(2) Uani 1 1 d .
H44A H 0.6917 0.4789 1.1348 0.142 Uiso 1 1 calc R
C45 C 0.6965(3) 0.3078(4) 1.11980(19) 0.1051(18) Uani 1 1 d .
H45A H 0.7259 0.2874 1.1642 0.126 Uiso 1 1 calc R
C46 C 0.6732(3) 0.2251(3) 1.07152(19) 0.0950(15) Uani 1 1 d .
H46A H 0.6887 0.1474 1.0846 0.114 Uiso 1 1 calc R
C52 C 0.7860(2) 0.2153(3) 0.7783(2) 0.0300(11) Uani 0.50 1 d P
H52A H 0.7374 0.2504 0.7707 0.036 Uiso 0.50 1 calc PR
C53 C 0.8527(2) 0.2858(4) 0.7967(2) 0.0334(12) Uani 0.50 1 d P
H53A H 0.8485 0.3677 0.8002 0.040 Uiso 0.50 1 calc PR
C54 C 0.9217(3) 0.2371(4) 0.8090(3) 0.0486(16) Uani 0.50 1 d P
H54A H 0.9660 0.2851 0.8191 0.058 Uiso 0.50 1 calc PR
C55 C 0.9294(3) 0.1144(5) 0.8073(3) 0.0516(17) Uani 0.50 1 d P
H55A H 0.9784 0.0788 0.8179 0.062 Uiso 0.50 1 calc PR
C56 C 0.8611(3) 0.0470(4) 0.7891(3) 0.0510(16) Uani 0.50 1 d P
H56A H 0.8651 -0.0353 0.7895 0.061 Uiso 0.50 1 calc PR
N61 N 0.6404(2) 0.0480(5) 0.5902(2) 0.090(2) Uani 0.50 1 d PG
C62 C 0.6025(4) 0.1485(5) 0.5555(3) 0.155(5) Uani 0.50 1 d PG
H62A H 0.5818 0.2039 0.5768 0.186 Uiso 0.50 1 calc PR
C63 C 0.5955(5) 0.1661(8) 0.4891(3) 0.231(9) Uani 0.50 1 d PG
H63A H 0.5701 0.2333 0.4659 0.278 Uiso 0.50 1 calc PR
C64 C 0.6264(5) 0.0831(10) 0.4572(2) 0.176(7) Uani 0.50 1 d PG
H64A H 0.6218 0.0949 0.4128 0.211 Uiso 0.50 1 calc PR
C65 C 0.6644(5) -0.0174(9) 0.4919(3) 0.173(5) Uani 0.50 1 d PG
H65A H 0.6851 -0.0729 0.4706 0.208 Uiso 0.50 1 calc PR
C66 C 0.6714(4) -0.0350(6) 0.5583(3) 0.128(4) Uani 0.50 1 d PG
H66A H 0.6967 -0.1022 0.5815 0.154 Uiso 0.50 1 calc PR
B3 B 0.4998(2) 0.2771(3) 0.83093(17) 0.0535(10) Uani 1 1 d .
H3 H 0.4977(14) 0.357(2) 0.8510(12) 0.047(7) Uiso 1 1 d .
B4 B 0.58732(19) 0.2268(3) 0.81882(16) 0.0541(10) Uani 1 1 d .
H4 H 0.6422 0.2735 0.8478 0.065 Uiso 1 1 calc R
B5 B 0.58521(19) 0.0790(3) 0.79527(16) 0.0489(9) Uani 1 1 d .
H5 H 0.6391(15) 0.016(2) 0.8056(12) 0.054(8) Uiso 1 1 d .
B6 B 0.49543(19) -0.0006(3) 0.78429(15) 0.0476(9) Uani 1 1 d .
H6 H 0.4929(13) -0.0914(19) 0.7830(11) 0.035(6) Uiso 1 1 d .
B7 B 0.4194(2) 0.2421(3) 0.75100(18) 0.0577(11) Uani 1 1 d .
H7 H 0.3554(19) 0.272(3) 0.7354(15) 0.086(10) Uiso 1 1 d .
B8 B 0.5139(2) 0.3038(3) 0.75565(19) 0.0625(11) Uani 1 1 d .
H8 H 0.521(2) 0.423(3) 0.748(2) 0.108(14) Uiso 1 1 d .
B9 B 0.5661(2) 0.1916(3) 0.73289(18) 0.0606(11) Uani 1 1 d .
H9 H 0.6178(15) 0.202(2) 0.7027(12) 0.055(8) Uiso 1 1 d .
B10 B 0.5118(2) 0.0584(3) 0.71447(17) 0.0559(10) Uani 1 1 d .
H10 H 0.5150(14) 0.010(2) 0.6770(11) 0.043(7) Uiso 1 1 d .
B11 B 0.4185(2) 0.0812(3) 0.72136(17) 0.0523(10) Uani 1 1 d .
H11 H 0.3665(19) 0.090(3) 0.6831(16) 0.082(11) Uiso 1 1 d .
B12 B 0.4615(2) 0.1956(3) 0.69319(17) 0.0618(11) Uani 1 1 d .
H12 H 0.429(3) 0.283(4) 0.654(2) 0.147(17) Uiso 1 1 d .
N21 N 0.73409(16) 0.0452(2) 0.97446(13) 0.0638(9) Uani 1 1 d .
N31 N 0.60404(16) -0.1565(2) 0.91848(12) 0.0628(8) Uani 1 1 d .
N41 N 0.63051(16) 0.2420(2) 1.00729(12) 0.0664(9) Uani 1 1 d .
N51 N 0.7902(2) 0.0957(3) 0.7713(2) 0.0420(11) Uani 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
Cl Cl 0.1484 0.1585 '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'
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
N21 Yb1 N31 77.33(8) . .
N21 Yb1 N41 76.29(9) . .
N31 Yb1 N41 139.30(7) . .
N21 Yb1 B5 93.48(10) . .
N31 Yb1 B5 87.85(9) . .
N41 Yb1 B5 124.08(9) . .
N21 Yb1 Cl1 116.95(7) . .
N31 Yb1 Cl1 81.14(7) . .
N41 Yb1 Cl1 83.86(7) . .
B5 Yb1 Cl1 143.99(7) . .
N21 Yb1 B4 95.75(9) . .
N31 Yb1 B4 123.87(10) . .
N41 Yb1 B4 89.24(9) . .
B5 Yb1 B4 36.41(10) . .
Cl1 Yb1 B4 143.59(7) . .
N21 Yb1 B6 122.52(10) . .
N31 Yb1 B6 74.41(8) . .
N41 Yb1 B6 146.29(8) . .
B5 Yb1 B6 37.33(10) . .
Cl1 Yb1 B6 106.73(7) . .
B4 Yb1 B6 63.00(9) . .
N21 Yb1 C2 154.67(8) . .
N31 Yb1 C2 120.55(7) . .
N41 Yb1 C2 95.44(7) . .
B5 Yb1 C2 71.10(9) . .
Cl1 Yb1 C2 85.24(6) . .
B4 Yb1 C2 59.82(9) . .
B6 Yb1 C2 55.03(8) . .
N21 Yb1 C1 153.59(9) . .
N31 Yb1 C1 92.42(7) . .
N41 Yb1 C1 123.59(8) . .
B5 Yb1 C1 61.51(9) . .
Cl1 Yb1 C1 84.69(6) . .
B4 Yb1 C1 69.63(8) . .
B6 Yb1 C1 31.39(9) . .
C2 Yb1 C1 28.56(7) . .
N21 Yb1 B3 125.26(9) . .
N31 Yb1 B3 140.53(8) . .
N41 Yb1 B3 80.16(8) . .
B5 Yb1 B3 61.45(10) . .
Cl1 Yb1 B3 108.56(7) . .
B4 Yb1 B3 35.10(10) . .
B6 Yb1 B3 66.14(8) . .
C2 Yb1 B3 29.64(8) . .
C1 Yb1 B3 52.30(8) . .
Yb1 Cl1 Yb1 180.0 . 3_657
N61 Na1 C53 101.04(19) . 2_646
N61 Na1 N51 104.04(18) . .
C53 Na1 N51 117.43(15) 2_646 .
N61 Na1 B10 104.72(15) . .
C53 Na1 B10 97.51(16) 2_646 .
N51 Na1 B10 128.59(16) . .
N61 Na1 B5 135.91(17) . .
C53 Na1 B5 103.91(16) 2_646 .
N51 Na1 B5 95.88(14) . .
B10 Na1 B5 36.57(9) . .
N61 Na1 B9 101.61(16) . .
C53 Na1 B9 132.45(18) 2_646 .
N51 Na1 B9 96.58(14) . .
B10 Na1 B9 36.15(11) . .
B5 Na1 B9 36.39(10) . .
C2 C1 C10 115.2(3) . .
C2 C1 B6 126.3(3) . .
C10 C1 B6 117.6(2) . .
C2 C1 B11 104.4(2) . .
C10 C1 B11 111.9(2) . .
B6 C1 B11 63.54(19) . .
C2 C1 Yb1 75.62(13) . .
C10 C1 Yb1 115.80(16) . .
B6 C1 Yb1 74.03(13) . .
B11 C1 Yb1 126.64(18) . .
C1 C2 C3 116.5(2) . .
C1 C2 B3 125.3(3) . .
C3 C2 B3 118.1(2) . .
C1 C2 B7 90.7(2) . .
C3 C2 B7 115.5(2) . .
B3 C2 B7 65.53(19) . .
C1 C2 Yb1 75.82(13) . .
C3 C2 Yb1 116.27(16) . .
B3 C2 Yb1 81.23(15) . .
B7 C2 Yb1 127.10(19) . .
C4 C3 C2 114.1(2) . .
C5 C4 C9 119.5(3) . .
C5 C4 C3 123.9(3) . .
C9 C4 C3 116.6(3) . .
C4 C5 C6 120.2(3) . .
C7 C6 C5 119.9(3) . .
C8 C7 C6 120.3(3) . .
C7 C8 C9 121.1(3) . .
C8 C9 C4 118.9(3) . .
C8 C9 C10 123.9(3) . .
C4 C9 C10 117.2(2) . .
C9 C10 C1 113.8(2) . .
C23 C22 N21 126.1(5) . .
C24 C23 C22 119.3(7) . .
C23 C24 C25 121.6(6) . .
C24 C25 C26 118.5(5) . .
N21 C26 C25 120.8(5) . .
N31 C32 C33 122.7(4) . .
C32 C33 C34 120.6(5) . .
C35 C34 C33 115.0(4) . .
C36 C35 C34 125.2(5) . .
C35 C36 N31 123.2(5) . .
C43 C42 N41 124.5(4) . .
C44 C43 C42 121.5(5) . .
C43 C44 C45 118.6(4) . .
C44 C45 C46 118.1(4) . .
N41 C46 C45 126.9(4) . .
N51 C52 C53 121.3(4) . .
C54 C53 C52 119.9(4) . .
C54 C53 Na1 119.2(3) . 2_656
C52 C53 Na1 120.6(3) . 2_656
C53 C54 C55 120.6(5) . .
C56 C55 C54 117.4(5) . .
N51 C56 C55 122.5(4) . .
C62 N61 C66 120.0 . .
C62 N61 Na1 123.6(3) . .
C66 N61 Na1 116.4(3) . .
C63 C62 N61 120.0 . .
C62 C63 C64 120.0 . .
C63 C64 C65 120.0 . .
C64 C65 C66 120.0 . .
C65 C66 N61 120.0 . .
C2 B3 B8 121.4(2) . .
C2 B3 B4 118.0(2) . .
B8 B3 B4 58.9(2) . .
C2 B3 B7 64.74(19) . .
B8 B3 B7 61.4(2) . .
B4 B3 B7 104.5(2) . .
C2 B3 Yb1 69.13(14) . .
B8 B3 Yb1 119.9(2) . .
B4 B3 Yb1 64.91(14) . .
B7 B3 Yb1 118.29(17) . .
B5 B4 B8 108.9(2) . .
B5 B4 B9 60.86(19) . .
B8 B4 B9 59.8(2) . .
B5 B4 B3 114.6(2) . .
B8 B4 B3 58.9(2) . .
B9 B4 B3 110.4(2) . .
B5 B4 Yb1 67.66(16) . .
B8 B4 Yb1 133.6(2) . .
B9 B4 Yb1 127.1(2) . .
B3 B4 Yb1 79.99(17) . .
B4 B5 B10 109.7(2) . .
B4 B5 B9 60.65(19) . .
B10 B5 B9 59.59(19) . .
B4 B5 B6 115.9(3) . .
B10 B5 B6 58.69(19) . .
B9 B5 B6 109.7(2) . .
B4 B5 Yb1 75.93(17) . .
B10 B5 Yb1 134.1(2) . .
B9 B5 Yb1 134.9(2) . .
B6 B5 Yb1 77.53(16) . .
B4 B5 Na1 120.3(2) . .
B10 B5 Na1 71.33(19) . .
B9 B5 Na1 73.01(19) . .
B6 B5 Na1 113.75(18) . .
Yb1 B5 Na1 146.72(13) . .
C1 B6 B10 119.0(2) . .
C1 B6 B11 64.83(19) . .
B10 B6 B11 60.1(2) . .
C1 B6 B5 116.5(2) . .
B10 B6 B5 59.56(19) . .
B11 B6 B5 105.4(2) . .
C1 B6 Yb1 74.58(14) . .
B10 B6 Yb1 123.02(18) . .
B11 B6 Yb1 128.03(18) . .
B5 B6 Yb1 65.13(13) . .
B12 B7 C2 126.3(2) . .
B12 B7 B8 60.3(2) . .
C2 B7 B8 103.1(2) . .
B12 B7 B3 107.9(3) . .
C2 B7 B3 49.73(16) . .
B8 B7 B3 56.7(2) . .
B12 B7 B11 55.9(2) . .
C2 B7 B11 87.24(19) . .
B8 B7 B11 105.7(3) . .
B3 B7 B11 114.5(2) . .
B3 B8 B4 62.2(2) . .
B3 B8 B9 114.2(2) . .
B4 B8 B9 60.9(2) . .
B3 B8 B12 110.3(3) . .
B4 B8 B12 106.6(2) . .
B9 B8 B12 60.3(2) . .
B3 B8 B7 62.0(2) . .
B4 B8 B7 107.3(3) . .
B9 B8 B7 108.0(2) . .
B12 B8 B7 57.8(2) . .
B8 B9 B10 110.9(3) . .
B8 B9 B4 59.2(2) . .
B10 B9 B4 108.2(3) . .
B8 B9 B5 106.5(3) . .
B10 B9 B5 59.97(18) . .
B4 B9 B5 58.49(19) . .
B8 B9 B12 61.2(2) . .
B10 B9 B12 59.9(2) . .
B4 B9 B12 106.0(3) . .
B5 B9 B12 104.8(3) . .
B8 B9 Na1 176.0(2) . .
B10 B9 Na1 70.32(18) . .
B4 B9 Na1 116.79(19) . .
B5 B9 Na1 70.60(18) . .
B12 B9 Na1 121.9(2) . .
B6 B10 B9 113.0(2) . .
B6 B10 B12 108.3(3) . .
B9 B10 B12 60.7(2) . .
B6 B10 B5 61.74(19) . .
B9 B10 B5 60.44(18) . .
B12 B10 B5 105.8(2) . .
B6 B10 B11 61.2(2) . .
B9 B10 B11 109.6(3) . .
B12 B10 B11 58.2(2) . .
B5 B10 B11 107.9(3) . .
B6 B10 Na1 116.34(19) . .
B9 B10 Na1 73.5(2) . .
B12 B10 Na1 125.3(2) . .
B5 B10 Na1 72.10(18) . .
B11 B10 Na1 176.5(2) . .
B12 B11 B10 60.6(2) . .
B12 B11 B6 108.1(2) . .
B10 B11 B6 58.61(19) . .
B12 B11 C1 121.5(2) . .
B10 B11 C1 105.7(2) . .
B6 B11 C1 51.63(17) . .
B12 B11 B7 57.3(2) . .
B10 B11 B7 105.7(2) . .
B6 B11 B7 109.1(2) . .
C1 B11 B7 77.50(19) . .
B11 B12 B7 66.8(2) . .
B11 B12 B10 61.2(2) . .
B7 B12 B10 113.6(3) . .
B11 B12 B9 111.1(2) . .
B7 B12 B9 110.0(2) . .
B10 B12 B9 59.4(2) . .
B11 B12 B8 115.7(3) . .
B7 B12 B8 61.9(2) . .
B10 B12 B8 108.4(2) . .
B9 B12 B8 58.6(2) . .
C26 N21 C22 113.3(3) . .
C26 N21 Yb1 125.2(3) . .
C22 N21 Yb1 120.7(2) . .
C32 N31 C36 113.3(3) . .
C32 N31 Yb1 120.6(2) . .
C36 N31 Yb1 123.4(2) . .
C46 N41 C42 110.5(3) . .
C46 N41 Yb1 122.4(2) . .
C42 N41 Yb1 127.1(2) . .
C56 N51 C52 117.7(4) . .
C56 N51 Na1 129.3(3) . .
C52 N51 Na1 111.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 N21 2.529(3) .
Yb1 N31 2.570(2) .
Yb1 N41 2.576(2) .
Yb1 B5 2.704(4) .
Yb1 Cl1 2.7843(2) .
Yb1 B4 2.835(4) .
Yb1 B6 2.910(3) .
Yb1 C2 2.915(2) .
Yb1 C1 2.918(2) .
Yb1 B3 3.083(3) .
Cl1 Yb1 2.7843(2) 3_657
Na1 N61 2.401(5) .
Na1 C53 2.503(5) 2_646
Na1 N51 2.505(4) .
Na1 B10 2.813(5) .
Na1 B5 2.826(5) .
Na1 B9 2.865(5) .
C1 C2 1.439(3) .
C1 C10 1.528(4) .
C1 B6 1.577(5) .
C1 B11 1.820(5) .
C2 C3 1.519(4) .
C2 B3 1.543(4) .
C2 B7 1.829(4) .
C3 C4 1.500(4) .
C4 C5 1.384(4) .
C4 C9 1.410(4) .
C5 C6 1.391(4) .
C6 C7 1.380(5) .
C7 C8 1.363(5) .
C8 C9 1.390(4) .
C9 C10 1.502(4) .
C22 C23 1.304(6) .
C22 N21 1.383(6) .
C23 C24 1.243(10) .
C24 C25 1.362(10) .
C25 C26 1.394(7) .
C26 N21 1.332(5) .
C32 N31 1.351(5) .
C32 C33 1.381(5) .
C33 C34 1.393(8) .
C34 C35 1.310(8) .
C35 C36 1.298(6) .
C36 N31 1.399(5) .
C42 C43 1.326(7) .
C42 N41 1.339(6) .
C43 C44 1.274(7) .
C44 C45 1.315(6) .
C45 C46 1.337(6) .
C46 N41 1.319(4) .
C52 N51 1.360(5) .
C52 C53 1.385(6) .
C53 C54 1.309(7) .
C53 Na1 2.503(5) 2_656
C54 C55 1.391(7) .
C55 C56 1.389(7) .
C56 N51 1.327(7) .
N61 C62 1.3900 .
N61 C66 1.3900 .
C62 C63 1.3900 .
C63 C64 1.3900 .
C64 C65 1.3900 .
C65 C66 1.3900 .
B3 B8 1.742(6) .
B3 B4 1.800(5) .
B3 B7 1.840(4) .
B4 B5 1.735(5) .
B4 B8 1.743(4) .
B4 B9 1.774(5) .
B5 B10 1.769(4) .
B5 B9 1.778(5) .
B5 B6 1.807(5) .
B6 B10 1.753(5) .
B6 B11 1.800(4) .
B7 B12 1.755(6) .
B7 B8 1.830(6) .
B7 B11 1.917(5) .
B8 B9 1.754(6) .
B8 B12 1.801(5) .
B9 B10 1.762(5) .
B9 B12 1.785(5) .
B10 B12 1.770(5) .
B10 B11 1.781(6) .
B11 B12 1.726(5) .
