#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:02:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178616 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/27/4072702.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_4072702
loop_
_publ_author_name
'Evans, William J.'
'Champagne, Timothy M.'
'Ziller, Joseph W.'
_publ_section_title
;
 Synthesis and Reactivity of Mono(pentamethylcyclopentadienyl)
 Tetraphenylborate Lanthanide Complexes of Ytterbium and Samarium: 
 Tris(ring) Precursors to (C5Me5)Ln Moieties
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1204
_journal_paper_doi               10.1021/om060963s
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C43 H44 B Yb'
_chemical_formula_weight         744.63
_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           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 91.749(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.4236(11)
_cell_length_b                   46.204(5)
_cell_length_c                   15.8959(18)
_cell_measurement_temperature    163(2)
_cell_volume                     6918.0(14)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      163(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       59
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            69104
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    2.732
_exptl_absorpt_correction_T_max  0.7911
_exptl_absorpt_correction_T_min  0.4751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3016
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.631
_refine_diff_density_min         -3.178
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.281
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     821
_refine_ls_number_reflns         15222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.281
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0132P)²+28.3244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0841
_reflns_number_gt                13349
_reflns_number_total             15222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060963ssi20061020_051416.cif
_cod_data_source_block           tmc25_[624650]
_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' 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_cell_volume        6917.9(14)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4072702
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 0.88898(2) 0.181581(4) 0.970236(12) 0.01672(5) Uani 1 1 d .
B1 B 1.0382(5) 0.23717(11) 0.8294(3) 0.0176(10) Uani 1 1 d .
C1 C 0.6760(5) 0.15181(10) 1.0331(3) 0.0182(9) Uani 1 1 d .
C2 C 0.7473(5) 0.16417(10) 1.1049(3) 0.0181(9) Uani 1 1 d .
C3 C 0.8841(5) 0.15097(10) 1.1125(3) 0.0202(9) Uani 1 1 d .
C4 C 0.8938(5) 0.13002(10) 1.0478(3) 0.0194(9) Uani 1 1 d .
C5 C 0.7660(5) 0.13066(10) 0.9985(3) 0.0188(9) Uani 1 1 d .
C6 C 0.5257(5) 0.15842(11) 1.0036(3) 0.0245(10) Uani 1 1 d .
H6A H 0.4719 0.1403 0.9980 0.037 Uiso 1 1 calc R
H6B H 0.5268 0.1682 0.9490 0.037 Uiso 1 1 calc R
H6C H 0.4807 0.1710 1.0447 0.037 Uiso 1 1 calc R
C7 C 0.6807(5) 0.18344(10) 1.1686(3) 0.0246(10) Uani 1 1 d .
H7A H 0.7546 0.1951 1.1972 0.037 Uiso 1 1 calc R
H7B H 0.6324 0.1716 1.2100 0.037 Uiso 1 1 calc R
H7C H 0.6118 0.1963 1.1402 0.037 Uiso 1 1 calc R
C8 C 0.9953(5) 0.15627(13) 1.1809(3) 0.0311(12) Uani 1 1 d .
H8A H 1.0884 0.1584 1.1558 0.047 Uiso 1 1 calc R
H8B H 0.9975 0.1399 1.2201 0.047 Uiso 1 1 calc R
H8C H 0.9723 0.1740 1.2114 0.047 Uiso 1 1 calc R
C9 C 1.0104(5) 0.10781(11) 1.0436(3) 0.0295(11) Uani 1 1 d .
H9A H 1.1028 0.1176 1.0462 0.044 Uiso 1 1 calc R
H9B H 1.0003 0.0970 0.9907 0.044 Uiso 1 1 calc R
H9C H 1.0040 0.0944 1.0912 0.044 Uiso 1 1 calc R
C10 C 0.7236(5) 0.10998(11) 0.9288(3) 0.0263(10) Uani 1 1 d .
H10A H 0.6721 0.1205 0.8840 0.039 Uiso 1 1 calc R
H10B H 0.6624 0.0948 0.9511 0.039 Uiso 1 1 calc R
H10C H 0.8089 0.1011 0.9062 0.039 Uiso 1 1 calc R
C11 C 1.0538(4) 0.20182(10) 0.8287(3) 0.0166(9) Uani 1 1 d .
C12 C 1.1553(5) 0.18740(10) 0.8811(3) 0.0190(9) Uani 1 1 d .
H12A H 1.2295 0.1984 0.9074 0.023 Uiso 1 1 calc R
C13 C 1.1499(5) 0.15771(10) 0.8953(3) 0.0227(10) Uani 1 1 d .
H13A H 1.2190 0.1488 0.9316 0.027 Uiso 1 1 calc R
C14 C 1.0438(5) 0.14088(10) 0.8565(3) 0.0259(10) Uani 1 1 d .
H14A H 1.0407 0.1206 0.8654 0.031 Uiso 1 1 calc R
C15 C 0.9430(5) 0.15439(11) 0.8047(3) 0.0259(10) Uani 1 1 d .
H15A H 0.8698 0.1433 0.7780 0.031 Uiso 1 1 calc R
C16 C 0.9485(5) 0.18403(10) 0.7918(3) 0.0214(9) Uani 1 1 d .
H16A H 0.8776 0.1927 0.7562 0.026 Uiso 1 1 calc R
C17 C 0.9410(4) 0.24004(9) 0.9133(3) 0.0164(8) Uani 1 1 d .
C18 C 1.0033(5) 0.24003(10) 0.9950(3) 0.0224(10) Uani 1 1 d .
H18A H 1.1037 0.2412 1.0013 0.027 Uiso 1 1 calc R
C19 C 0.9225(6) 0.23840(11) 1.0671(3) 0.0304(11) Uani 1 1 d .
H19A H 0.9680 0.2383 1.1213 0.036 Uiso 1 1 calc R
C20 C 0.7760(6) 0.23695(11) 1.0596(3) 0.0349(13) Uani 1 1 d .
H20A H 0.7202 0.2369 1.1084 0.042 Uiso 1 1 calc R
C21 C 0.7113(5) 0.23554(11) 0.9804(4) 0.0308(12) Uani 1 1 d .
H21A H 0.6112 0.2335 0.9748 0.037 Uiso 1 1 calc R
C22 C 0.7930(5) 0.23715(10) 0.9086(3) 0.0226(10) Uani 1 1 d .
H22A H 0.7465 0.2363 0.8548 0.027 Uiso 1 1 calc R
C23 C 1.1913(4) 0.25359(9) 0.8393(3) 0.0157(8) Uani 1 1 d .
C24 C 1.3092(5) 0.24387(10) 0.7953(3) 0.0197(9) Uani 1 1 d .
H24A H 1.2988 0.2272 0.7605 0.024 Uiso 1 1 calc R
C25 C 1.4403(5) 0.25755(10) 0.8005(3) 0.0225(10) Uani 1 1 d .
H25A H 1.5178 0.2501 0.7703 0.027 Uiso 1 1 calc R
C26 C 1.4575(5) 0.28193(10) 0.8496(3) 0.0216(9) Uani 1 1 d .
H26A H 1.5470 0.2913 0.8537 0.026 Uiso 1 1 calc R
C27 C 1.3433(5) 0.29271(10) 0.8934(3) 0.0255(10) Uani 1 1 d .
H27A H 1.3544 0.3095 0.9272 0.031 Uiso 1 1 calc R
C28 C 1.2131(5) 0.27871(10) 0.8873(3) 0.0209(9) Uani 1 1 d .
H28A H 1.1357 0.2865 0.9168 0.025 Uiso 1 1 calc R
C29 C 0.9552(4) 0.25111(11) 0.7481(3) 0.0207(9) Uani 1 1 d .
C30 C 0.9563(5) 0.23991(12) 0.6657(3) 0.0283(11) Uani 1 1 d .
H30A H 1.0041 0.2222 0.6558 0.034 Uiso 1 1 calc R
C31 C 0.8874(6) 0.25450(14) 0.5972(3) 0.0395(15) Uani 1 1 d .
H31A H 0.8885 0.2465 0.5422 0.047 Uiso 1 1 calc R
C32 C 0.8194(6) 0.28021(15) 0.6110(4) 0.0429(15) Uani 1 1 d .
H32A H 0.7741 0.2901 0.5651 0.052 Uiso 1 1 calc R
C33 C 0.8159(6) 0.29189(13) 0.6903(4) 0.0384(14) Uani 1 1 d .
H33A H 0.7691 0.3098 0.6995 0.046 Uiso 1 1 calc R
C34 C 0.8816(5) 0.27719(12) 0.7563(3) 0.0294(11) Uani 1 1 d .
H34A H 0.8765 0.2854 0.8110 0.035 Uiso 1 1 calc R
Yb2 Yb 0.52417(2) 0.082703(4) 0.386616(11) 0.01668(5) Uani 1 1 d .
B2 B 0.6612(5) 0.10548(11) 0.5972(3) 0.0156(9) Uani 1 1 d .
C35 C 0.4348(5) 0.08731(11) 0.2279(3) 0.0233(10) Uani 1 1 d .
C36 C 0.5664(5) 0.07260(11) 0.2219(3) 0.0229(10) Uani 1 1 d .
C37 C 0.5531(5) 0.04500(11) 0.2592(3) 0.0228(10) Uani 1 1 d .
C38 C 0.4116(5) 0.04172(10) 0.2854(3) 0.0225(10) Uani 1 1 d .
C39 C 0.3390(5) 0.06800(11) 0.2667(3) 0.0234(10) Uani 1 1 d .
C40 C 0.3985(6) 0.11679(12) 0.1942(3) 0.0363(13) Uani 1 1 d .
H40A H 0.4849 0.1263 0.1752 0.054 Uiso 1 1 calc R
H40B H 0.3566 0.1284 0.2386 0.054 Uiso 1 1 calc R
H40C H 0.3303 0.1149 0.1467 0.054 Uiso 1 1 calc R
C41 C 0.6909(5) 0.08176(13) 0.1698(3) 0.0327(12) Uani 1 1 d .
H41A H 0.7792 0.0797 0.2034 0.049 Uiso 1 1 calc R
H41B H 0.6788 0.1020 0.1525 0.049 Uiso 1 1 calc R
H41C H 0.6951 0.0695 0.1197 0.049 Uiso 1 1 calc R
C42 C 0.6668(6) 0.02190(12) 0.2592(4) 0.0355(12) Uani 1 1 d .
H42A H 0.7596 0.0307 0.2719 0.053 Uiso 1 1 calc R
H42B H 0.6679 0.0127 0.2037 0.053 Uiso 1 1 calc R
H42C H 0.6468 0.0073 0.3020 0.053 Uiso 1 1 calc R
C43 C 0.3452(6) 0.01376(11) 0.3125(3) 0.0350(12) Uani 1 1 d .
H43A H 0.4162 0.0021 0.3435 0.052 Uiso 1 1 calc R
H43B H 0.3105 0.0031 0.2628 0.052 Uiso 1 1 calc R
H43C H 0.2658 0.0179 0.3490 0.052 Uiso 1 1 calc R
C44 C 0.1823(5) 0.07335(13) 0.2772(3) 0.0346(12) Uani 1 1 d .
H44A H 0.1439 0.0587 0.3147 0.052 Uiso 1 1 calc R
H44B H 0.1328 0.0723 0.2222 0.052 Uiso 1 1 calc R
H44C H 0.1686 0.0926 0.3015 0.052 Uiso 1 1 calc R
C45 C 0.7106(4) 0.11399(9) 0.5021(3) 0.0164(8) Uani 1 1 d .
C46 C 0.6399(5) 0.13606(9) 0.4563(3) 0.0197(9) Uani 1 1 d .
H46A H 0.5764 0.1483 0.4850 0.024 Uiso 1 1 calc R
C47 C 0.6592(5) 0.14067(10) 0.3715(3) 0.0244(10) Uani 1 1 d .
H47A H 0.6092 0.1559 0.3433 0.029 Uiso 1 1 calc R
C48 C 0.7507(5) 0.12329(11) 0.3271(3) 0.0257(10) Uani 1 1 d .
H48A H 0.7648 0.1265 0.2690 0.031 Uiso 1 1 calc R
C49 C 0.8213(5) 0.10098(11) 0.3695(3) 0.0242(10) Uani 1 1 d .
H49A H 0.8837 0.0887 0.3401 0.029 Uiso 1 1 calc R
C50 C 0.8011(5) 0.09644(10) 0.4556(3) 0.0207(9) Uani 1 1 d .
H50A H 0.8501 0.0810 0.4832 0.025 Uiso 1 1 calc R
C51 C 0.5220(4) 0.08548(10) 0.5697(3) 0.0164(8) Uani 1 1 d .
C52 C 0.3920(4) 0.09864(10) 0.5468(3) 0.0179(9) Uani 1 1 d .
H52A H 0.3800 0.1187 0.5578 0.022 Uiso 1 1 calc R
C53 C 0.2799(5) 0.08334(10) 0.5083(3) 0.0201(9) Uani 1 1 d .
H53A H 0.1938 0.0930 0.4936 0.024 Uiso 1 1 calc R
C54 C 0.2938(5) 0.05404(10) 0.4914(3) 0.0219(9) Uani 1 1 d .
H54A H 0.2178 0.0435 0.4653 0.026 Uiso 1 1 calc R
C55 C 0.4206(5) 0.04028(10) 0.5133(3) 0.0235(10) Uani 1 1 d .
H55A H 0.4313 0.0202 0.5025 0.028 Uiso 1 1 calc R
C56 C 0.5325(5) 0.05583(10) 0.5513(3) 0.0200(9) Uani 1 1 d .
H56A H 0.6186 0.0460 0.5652 0.024 Uiso 1 1 calc R
C57 C 0.7826(4) 0.08849(9) 0.6528(3) 0.0168(9) Uani 1 1 d .
C58 C 0.9282(5) 0.09454(10) 0.6469(3) 0.0232(10) Uani 1 1 d .
H58A H 0.9571 0.1081 0.6060 0.028 Uiso 1 1 calc R
C59 C 1.0317(5) 0.08147(12) 0.6984(3) 0.0278(11) Uani 1 1 d .
H59A H 1.1289 0.0862 0.6920 0.033 Uiso 1 1 calc R
C60 C 0.9935(5) 0.06169(11) 0.7588(3) 0.0287(11) Uani 1 1 d .
H60A H 1.0638 0.0527 0.7939 0.034 Uiso 1 1 calc R
C61 C 0.8507(5) 0.05515(11) 0.7675(3) 0.0266(10) Uani 1 1 d .
H61A H 0.8225 0.0418 0.8092 0.032 Uiso 1 1 calc R
C62 C 0.7486(5) 0.06834(10) 0.7145(3) 0.0225(10) Uani 1 1 d .
H62A H 0.6517 0.0634 0.7208 0.027 Uiso 1 1 calc R
C63 C 0.6124(5) 0.13369(10) 0.6513(3) 0.0185(9) Uani 1 1 d .
C64 C 0.5160(5) 0.13043(11) 0.7157(3) 0.0254(10) Uani 1 1 d .
H64A H 0.4771 0.1118 0.7252 0.030 Uiso 1 1 calc R
C65 C 0.4746(6) 0.15311(13) 0.7663(3) 0.0331(12) Uani 1 1 d .
H65A H 0.4091 0.1498 0.8096 0.040 Uiso 1 1 calc R
C66 C 0.5284(6) 0.18055(12) 0.7538(3) 0.0342(12) Uani 1 1 d .
H66A H 0.5008 0.1962 0.7884 0.041 Uiso 1 1 calc R
C67 C 0.6232(6) 0.18491(11) 0.6900(3) 0.0329(12) Uani 1 1 d .
H67A H 0.6597 0.2037 0.6800 0.039 Uiso 1 1 calc R
C68 C 0.6650(5) 0.16163(10) 0.6406(3) 0.0236(10) Uani 1 1 d .
H68A H 0.7318 0.1649 0.5981 0.028 Uiso 1 1 calc R
C69 C 0.1227(7) 0.16502(13) 0.5660(5) 0.0501(17) Uani 1 1 d .
H69A H 0.0660 0.1632 0.6141 0.060 Uiso 1 1 calc R
C70 C 0.0802(6) 0.15287(12) 0.4915(5) 0.0452(16) Uani 1 1 d .
H70A H -0.0078 0.1428 0.4882 0.054 Uiso 1 1 calc R
C71 C 0.1588(8) 0.15458(13) 0.4222(4) 0.0471(16) Uani 1 1 d .
H71A H 0.1282 0.1455 0.3712 0.057 Uiso 1 1 calc R
C72 C 0.2827(9) 0.16961(17) 0.4272(6) 0.070(3) Uani 1 1 d .
H72A H 0.3390 0.1708 0.3787 0.084 Uiso 1 1 calc R
C73 C 0.3279(7) 0.18277(15) 0.4973(7) 0.070(3) Uani 1 1 d .
H73A H 0.4128 0.1939 0.4971 0.084 Uiso 1 1 calc R
C74 C 0.2530(9) 0.18057(15) 0.5712(5) 0.068(3) Uani 1 1 d .
H74A H 0.2871 0.1890 0.6224 0.081 Uiso 1 1 calc R
C75 C 0.6504(7) -0.0748(2) 0.0316(8) 0.089(4) Uani 1 1 d .
H75A H 0.7048 -0.0887 0.0023 0.107 Uiso 1 1 calc R
C76 C 0.6601(9) -0.07405(18) 0.1143(8) 0.083(3) Uani 1 1 d .
H76A H 0.7214 -0.0873 0.1431 0.099 Uiso 1 1 calc R
C77 C 0.5873(9) -0.0554(2) 0.1579(5) 0.066(2) Uani 1 1 d .
H77A H 0.5967 -0.0552 0.2175 0.079 Uiso 1 1 calc R
C78 C 0.4988(7) -0.03660(16) 0.1177(5) 0.059(2) Uani 1 1 d .
H78A H 0.4461 -0.0231 0.1493 0.071 Uiso 1 1 calc R
C79 C 0.4848(7) -0.03683(15) 0.0314(5) 0.058(2) Uani 1 1 d .
H79A H 0.4218 -0.0238 0.0029 0.070 Uiso 1 1 calc R
C80 C 0.5648(8) -0.0565(2) -0.0129(4) 0.071(3) Uani 1 1 d .
H80A H 0.5598 -0.0571 -0.0726 0.085 Uiso 1 1 calc R
C81 C 1.0954(9) 0.0172(2) 1.0478(6) 0.096(3) Uani 1 1 d .
H81 H 1.1600 0.0289 1.0798 0.115 Uiso 1 1 calc R
C82 C 1.1212(8) 0.00981(17) 0.9650(6) 0.069(2) Uani 1 1 d .
H82 H 1.2055 0.0164 0.9400 0.082 Uiso 1 1 calc R
C83 C 1.0269(9) -0.0069(2) 0.9185(6) 0.079(3) Uani 1 1 d .
H83 H 1.0471 -0.0115 0.8618 0.094 Uiso 1 1 calc R
C84 C 0.0413(6) 0.00383(11) 0.5835(3) 0.0297(11) Uani 1 1 d .
H84 H 0.0702 0.0064 0.6408 0.036 Uiso 1 1 calc R
C85 C 0.1085(6) -0.01654(11) 0.5346(3) 0.0321(11) Uani 1 1 d .
H85 H 0.1832 -0.0279 0.5586 0.039 Uiso 1 1 calc R
C86 C 0.0674(5) -0.02036(11) 0.4510(3) 0.0286(11) Uani 1 1 d .
H86 H 0.1138 -0.0343 0.4175 0.034 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'
B B 0.0013 0.0007 '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
Cnt1 Yb1 Cnt2 124.7 .
Cnt1 Yb1 Cnt3 125.8 .
Cnt2 Yb1 Cnt3 109.5 .
Cnt4 Yb2 Cnt5 124.2 .
Cnt4 Yb2 Cnt6 126.0 .
Cnt5 Yb2 Cnt6 109.7 .
C1 Yb1 C5 30.87(13) .
C1 Yb1 C3 51.20(13) .
C5 Yb1 C3 51.03(13) .
C1 Yb1 C2 30.99(13) .
C5 Yb1 C2 51.04(13) .
C3 Yb1 C2 30.97(13) .
C1 Yb1 C4 50.86(13) .
C5 Yb1 C4 30.73(13) .
C3 Yb1 C4 30.71(14) .
C2 Yb1 C4 50.82(14) .
C1 Yb1 C22 110.89(13) .
C5 Yb1 C22 135.17(13) .
C3 Yb1 C22 138.27(14) .
C2 Yb1 C22 112.32(13) .
C4 Yb1 C22 161.38(13) .
C1 Yb1 C17 137.62(13) .
C5 Yb1 C17 162.62(13) .
C3 Yb1 C17 140.05(13) .
C2 Yb1 C17 128.51(13) .
C4 Yb1 C17 166.31(13) .
C22 Yb1 C17 28.07(12) .
C1 Yb1 C16 123.89(13) .
C5 Yb1 C16 107.21(13) .
C3 Yb1 C16 148.79(14) .
C2 Yb1 C16 154.86(13) .
C4 Yb1 C16 118.79(14) .
C22 Yb1 C16 72.66(14) .
C17 Yb1 C16 67.65(13) .
C1 Yb1 C11 151.71(13) .
C5 Yb1 C11 130.92(13) .
C3 Yb1 C11 147.58(13) .
C2 Yb1 C11 177.28(13) .
C4 Yb1 C11 129.45(13) .
C22 Yb1 C11 67.83(13) .
C17 Yb1 C11 50.40(12) .
C16 Yb1 C11 27.83(12) .
C1 Yb1 C18 134.95(13) .
C5 Yb1 C18 161.90(13) .
C3 Yb1 C18 112.97(13) .
C2 Yb1 C18 111.06(13) .
C4 Yb1 C18 139.09(14) .
C22 Yb1 C18 48.35(13) .
C17 Yb1 C18 27.98(12) .
C16 Yb1 C18 90.82(13) .
C11 Yb1 C18 66.86(12) .
C1 Yb1 C12 153.89(13) .
C5 Yb1 C12 123.03(13) .
C3 Yb1 C12 119.69(13) .
C2 Yb1 C12 150.24(13) .
C4 Yb1 C12 107.52(13) .
C22 Yb1 C12 91.05(13) .
C17 Yb1 C12 66.90(12) .
C16 Yb1 C12 48.10(12) .
C11 Yb1 C12 27.96(12) .
C18 Yb1 C12 70.35(13) .
C1 Yb1 C15 105.43(13) .
C5 Yb1 C15 82.13(13) .
C3 Yb1 C15 122.26(14) .
C2 Yb1 C15 133.04(14) .
C4 Yb1 C15 91.75(14) .
C22 Yb1 C15 97.81(14) .
C17 Yb1 C15 94.74(13) .
C16 Yb1 C15 27.23(13) .
C11 Yb1 C15 49.12(13) .
C18 Yb1 C15 115.87(13) .
C12 Yb1 C15 55.87(13) .
C1 Yb1 C13 127.02(13) .
C5 Yb1 C13 96.26(13) .
C3 Yb1 C13 100.29(13) .
C2 Yb1 C13 130.25(13) .
C4 Yb1 C13 81.51(13) .
C22 Yb1 C13 116.63(13) .
C17 Yb1 C13 94.05(12) .
C16 Yb1 C13 55.83(13) .
C11 Yb1 C13 49.18(12) .
C18 Yb1 C13 95.18(13) .
C12 Yb1 C13 27.23(12) .
C15 Yb1 C13 47.43(13) .
C1 Yb1 C21 88.91(14) .
C5 Yb1 C21 118.45(14) .
C3 Yb1 C21 111.68(14) .
C2 Yb1 C21 85.09(13) .
C4 Yb1 C21 135.45(13) .
C22 Yb1 C21 27.33(13) .
C17 Yb1 C21 48.99(12) .
C16 Yb1 C21 98.28(14) .
C11 Yb1 C21 94.91(13) .
C18 Yb1 C21 55.41(14) .
C12 Yb1 C21 115.82(13) .
C15 Yb1 C21 120.52(15) .
C13 Yb1 C21 142.74(13) .
C1 Yb1 C14 106.72(13) .
C5 Yb1 C14 76.79(13) .
C3 Yb1 C14 101.46(14) .
C2 Yb1 C14 123.60(13) .
C4 Yb1 C14 73.74(13) .
C22 Yb1 C14 120.27(13) .
C17 Yb1 C14 107.75(12) .
C16 Yb1 C14 47.85(13) .
C11 Yb1 C14 57.35(12) .
C18 Yb1 C14 118.21(13) .
C12 Yb1 C14 47.97(13) .
C15 Yb1 C14 26.76(14) .
C13 Yb1 C14 26.92(13) .
C21 Yb1 C14 145.96(14) .
C1 Yb1 C19 108.87(14) .
C5 Yb1 C19 135.40(13) .
C3 Yb1 C19 91.86(14) .
C2 Yb1 C19 84.36(13) .
C4 Yb1 C19 122.10(14) .
C22 Yb1 C19 55.44(14) .
C17 Yb1 C19 48.69(12) .
C16 Yb1 C19 115.97(13) .
C11 Yb1 C19 93.66(13) .
C18 Yb1 C19 26.90(13) .
C12 Yb1 C19 95.05(13) .
C15 Yb1 C19 142.30(13) .
C13 Yb1 C19 116.50(14) .
C21 Yb1 C19 46.40(15) .
C14 Yb1 C19 142.52(14) .
C1 Yb1 C20 88.92(14) .
C5 Yb1 C20 119.30(13) .
C3 Yb1 C20 91.94(14) .
C2 Yb1 C20 72.44(13) .
C4 Yb1 C20 121.25(13) .
C22 Yb1 C20 47.04(14) .
C17 Yb1 C20 56.09(12) .
C16 Yb1 C20 119.27(13) .
C11 Yb1 C20 106.48(13) .
C18 Yb1 C20 46.69(13) .
C12 Yb1 C20 116.91(13) .
C15 Yb1 C20 144.78(14) .
C13 Yb1 C20 141.39(14) .
C21 Yb1 C20 25.95(15) .
C14 Yb1 C20 163.66(13) .
C19 Yb1 C20 25.83(15) .
C29 B1 C23 107.1(4) .
C29 B1 C11 115.5(4) .
C23 B1 C11 112.6(4) .
C29 B1 C17 110.3(4) .
C23 B1 C17 113.4(4) .
C11 B1 C17 97.9(3) .
C5 C1 C2 108.3(4) .
C5 C1 C6 125.9(4) .
C2 C1 C6 125.6(4) .
C5 C1 Yb1 75.1(2) .
C2 C1 Yb1 75.5(2) .
C6 C1 Yb1 119.4(3) .
C1 C2 C3 107.4(4) .
C1 C2 C7 125.6(4) .
C3 C2 C7 126.2(4) .
C1 C2 Yb1 73.5(2) .
C3 C2 Yb1 74.1(2) .
C7 C2 Yb1 126.1(3) .
C4 C3 C2 107.9(4) .
C4 C3 C8 125.2(4) .
C2 C3 C8 126.7(4) .
C4 C3 Yb1 75.2(2) .
C2 C3 Yb1 74.9(2) .
C8 C3 Yb1 119.7(3) .
C3 C4 C5 108.3(4) .
C3 C4 C9 124.1(4) .
C5 C4 C9 126.7(4) .
C3 C4 Yb1 74.1(3) .
C5 C4 Yb1 74.0(2) .
C9 C4 Yb1 125.9(3) .
C1 C5 C4 107.9(4) .
C1 C5 C10 125.1(4) .
C4 C5 C10 126.5(4) .
C1 C5 Yb1 74.0(2) .
C4 C5 Yb1 75.2(2) .
C10 C5 Yb1 122.9(3) .
C16 C11 C12 115.3(4) .
C16 C11 B1 121.6(4) .
C12 C11 B1 121.6(4) .
C16 C11 Yb1 75.5(2) .
C12 C11 Yb1 76.3(2) .
B1 C11 Yb1 105.3(2) .
C13 C12 C11 122.2(4) .
C13 C12 Yb1 78.2(3) .
C11 C12 Yb1 75.8(2) .
C12 C13 C14 120.5(4) .
C12 C13 Yb1 74.6(3) .
C14 C13 Yb1 78.1(3) .
C15 C14 C13 118.7(4) .
C15 C14 Yb1 74.9(3) .
C13 C14 Yb1 75.0(3) .
C16 C15 C14 120.3(4) .
C16 C15 Yb1 73.9(3) .
C14 C15 Yb1 78.3(3) .
C15 C16 C11 123.1(4) .
C15 C16 Yb1 78.9(3) .
C11 C16 Yb1 76.7(2) .
C22 C17 C18 115.8(4) .
C22 C17 B1 121.8(4) .
C18 C17 B1 121.4(4) .
C22 C17 Yb1 75.5(3) .
C18 C17 Yb1 77.4(3) .
B1 C17 Yb1 106.4(3) .
C19 C18 C17 122.2(5) .
C19 C18 Yb1 81.6(3) .
C17 C18 Yb1 74.6(3) .
C20 C19 C18 119.9(5) .
C20 C19 Yb1 80.0(3) .
C18 C19 Yb1 71.5(3) .
C21 C20 C19 119.5(5) .
C21 C20 Yb1 72.2(3) .
C19 C20 Yb1 74.1(3) .
C20 C21 C22 120.1(5) .
C20 C21 Yb1 81.8(3) .
C22 C21 Yb1 71.3(3) .
C21 C22 C17 122.2(5) .
C21 C22 Yb1 81.4(3) .
C17 C22 Yb1 76.4(3) .
C28 C23 C24 115.6(4) .
C28 C23 B1 123.5(4) .
C24 C23 B1 120.9(4) .
C25 C24 C23 122.7(4) .
C26 C25 C24 119.7(4) .
C25 C26 C27 119.8(4) .
C28 C27 C26 119.6(4) .
C27 C28 C23 122.6(4) .
C34 C29 C30 114.9(4) .
C34 C29 B1 119.7(4) .
C30 C29 B1 125.3(4) .
C29 C30 C31 121.5(5) .
C32 C31 C30 119.6(5) .
C31 C32 C33 120.8(5) .
C32 C33 C34 118.8(6) .
C33 C34 C29 124.4(5) .
C39 Yb2 C35 31.30(14) .
C39 Yb2 C38 30.98(15) .
C35 Yb2 C38 51.37(14) .
C39 Yb2 C37 50.84(14) .
C35 Yb2 C37 51.00(15) .
C38 Yb2 C37 30.57(14) .
C39 Yb2 C36 50.80(14) .
C35 Yb2 C36 30.79(14) .
C38 Yb2 C36 50.48(14) .
C37 Yb2 C36 30.39(15) .
C39 Yb2 C50 155.22(14) .
C35 Yb2 C50 127.29(14) .
C38 Yb2 C50 136.33(14) .
C37 Yb2 C50 108.58(13) .
C36 Yb2 C50 104.42(13) .
C39 Yb2 C45 164.88(14) .
C35 Yb2 C45 137.37(13) .
C38 Yb2 C45 162.91(14) .
C37 Yb2 C45 136.74(13) .
C36 Yb2 C45 126.69(13) .
C50 Yb2 C45 28.21(12) .
C39 Yb2 C56 122.86(14) .
C35 Yb2 C56 153.65(14) .
C38 Yb2 C56 103.83(13) .
C37 Yb2 C56 113.72(14) .
C36 Yb2 C56 143.26(14) .
C50 Yb2 C56 75.55(13) .
C45 Yb2 C56 68.97(12) .
C39 Yb2 C46 136.77(14) .
C35 Yb2 C46 113.64(14) .
C38 Yb2 C46 164.98(13) .
C37 Yb2 C46 142.33(14) .
C36 Yb2 C46 116.88(14) .
C50 Yb2 C46 48.67(13) .
C45 Yb2 C46 28.14(12) .
C56 Yb2 C46 91.12(13) .
C39 Yb2 C51 135.20(13) .
C35 Yb2 C51 159.69(14) .
C38 Yb2 C51 128.00(13) .
C37 Yb2 C51 141.64(14) .
C36 Yb2 C51 168.97(13) .
C50 Yb2 C51 69.08(12) .
C45 Yb2 C51 50.66(12) .
C56 Yb2 C51 27.98(12) .
C46 Yb2 C51 66.12(12) .
C39 Yb2 C49 128.17(14) .
C35 Yb2 C49 99.49(14) .
C38 Yb2 C49 120.44(14) .
C37 Yb2 C49 89.87(14) .
C36 Yb2 C49 77.96(13) .
C50 Yb2 C49 27.87(12) .
C45 Yb2 C49 49.74(12) .
C56 Yb2 C49 101.93(13) .
C46 Yb2 C49 56.24(13) .
C51 Yb2 C49 96.61(12) .
C39 Yb2 C52 113.56(13) .
C35 Yb2 C52 132.10(14) .
C38 Yb2 C52 121.50(13) .
C37 Yb2 C52 149.64(13) .
C36 Yb2 C52 162.70(13) .
C50 Yb2 C52 91.03(12) .
C45 Yb2 C52 65.98(12) .
C56 Yb2 C52 47.92(12) .
C46 Yb2 C52 67.88(12) .
C51 Yb2 C52 27.67(12) .
C49 Yb2 C52 115.72(12) .
C39 Yb2 C47 116.66(14) .
C35 Yb2 C47 88.55(14) .
C38 Yb2 C47 138.44(13) .
C37 Yb2 C47 117.89(14) .
C36 Yb2 C47 90.06(14) .
C50 Yb2 C47 56.39(14) .
C45 Yb2 C47 49.35(12) .
C56 Yb2 C47 117.31(13) .
C46 Yb2 C47 27.17(12) .
C51 Yb2 C47 93.28(12) .
C49 Yb2 C47 47.54(14) .
C52 Yb2 C47 92.17(13) .
C39 Yb2 C55 95.49(14) .
C35 Yb2 C55 126.42(14) .
C38 Yb2 C55 79.08(14) .
C37 Yb2 C55 97.19(14) .
C36 Yb2 C55 126.83(14) .
C50 Yb2 C55 101.48(13) .
C45 Yb2 C55 95.99(12) .
C56 Yb2 C55 27.38(12) .
C46 Yb2 C55 115.18(13) .
C51 Yb2 C55 49.07(13) .
C49 Yb2 C55 125.44(13) .
C52 Yb2 C55 55.27(13) .
C47 Yb2 C55 142.34(13) .
C39 Yb2 C48 113.15(14) .
C35 Yb2 C48 81.86(14) .
C38 Yb2 C48 121.43(13) .
C37 Yb2 C48 94.44(14) .
C36 Yb2 C48 71.13(13) .
C50 Yb2 C48 48.56(13) .
C45 Yb2 C48 57.70(12) .
C56 Yb2 C48 123.39(13) .
C46 Yb2 C48 47.93(12) .
C51 Yb2 C48 108.21(12) .
C49 Yb2 C48 26.94(14) .
C52 Yb2 C48 115.81(13) .
C47 Yb2 C48 26.75(13) .
C55 Yb2 C48 150.03(13) .
C39 Yb2 C53 88.00(13) .
C35 Yb2 C53 112.31(13) .
C38 Yb2 C53 95.45(13) .
C37 Yb2 C53 125.37(14) .
C36 Yb2 C53 138.80(13) .
C50 Yb2 C53 116.78(12) .
C45 Yb2 C53 92.77(12) .
C56 Yb2 C53 55.35(12) .
C46 Yb2 C53 91.82(13) .
C51 Yb2 C53 48.56(12) .
C49 Yb2 C53 142.50(12) .
C52 Yb2 C53 26.82(12) .
C47 Yb2 C53 112.02(13) .
C55 Yb2 C53 46.57(13) .
C48 Yb2 C53 138.40(13) .
C39 Yb2 C54 79.51(14) .
C35 Yb2 C54 110.00(13) .
C38 Yb2 C54 75.43(13) .
C37 Yb2 C54 102.61(14) .
C36 Yb2 C54 125.30(13) .
C50 Yb2 C54 122.46(12) .
C45 Yb2 C54 107.27(12) .
C56 Yb2 C54 47.62(12) .
C46 Yb2 C54 114.97(12) .
C51 Yb2 C54 56.74(12) .
C49 Yb2 C54 149.54(13) .
C52 Yb2 C54 47.09(12) .
C47 Yb2 C54 137.84(13) .
C55 Yb2 C54 26.39(12) .
C48 Yb2 C54 162.89(13) .
C53 Yb2 C54 26.17(12) .
C57 B2 C63 107.6(3) .
C57 B2 C45 113.7(3) .
C63 B2 C45 112.7(4) .
C57 B2 C51 114.4(4) .
C63 B2 C51 110.5(3) .
C45 B2 C51 97.8(3) .
C36 C35 C39 107.2(4) .
C36 C35 C40 126.9(5) .
C39 C35 C40 125.7(5) .
C36 C35 Yb2 76.8(3) .
C39 C35 Yb2 74.0(3) .
C40 C35 Yb2 118.5(3) .
C37 C36 C35 108.3(4) .
C37 C36 C41 124.1(5) .
C35 C36 C41 126.5(5) .
C37 C36 Yb2 74.4(3) .
C35 C36 Yb2 72.4(2) .
C41 C36 Yb2 128.4(3) .
C36 C37 C38 108.4(4) .
C36 C37 C42 124.4(4) .
C38 C37 C42 126.7(5) .
C36 C37 Yb2 75.2(3) .
C38 C37 Yb2 74.4(3) .
C42 C37 Yb2 123.0(3) .
C37 C38 C39 107.4(4) .
C37 C38 C43 125.4(5) .
C39 C38 C43 126.3(5) .
C37 C38 Yb2 75.1(3) .
C39 C38 Yb2 72.6(3) .
C43 C38 Yb2 126.5(3) .
C38 C39 C35 108.5(4) .
C38 C39 C44 125.7(5) .
C35 C39 C44 125.5(5) .
C38 C39 Yb2 76.4(3) .
C35 C39 Yb2 74.7(3) .
C44 C39 Yb2 120.4(3) .
C50 C45 C46 115.6(4) .
C50 C45 B2 122.7(4) .
C46 C45 B2 120.4(4) .
C50 C45 Yb2 75.1(2) .
C46 C45 Yb2 76.4(2) .
B2 C45 Yb2 106.3(3) .
C47 C46 C45 122.8(4) .
C47 C46 Yb2 79.5(3) .
C45 C46 Yb2 75.4(2) .
C46 C47 C48 120.6(4) .
C46 C47 Yb2 73.3(3) .
C48 C47 Yb2 78.1(3) .
C47 C48 C49 118.6(4) .
C47 C48 Yb2 75.1(3) .
C49 C48 Yb2 73.7(3) .
C48 C49 C50 120.4(4) .
C48 C49 Yb2 79.3(3) .
C50 C49 Yb2 73.1(3) .
C49 C50 C45 122.0(4) .
C49 C50 Yb2 79.0(3) .
C45 C50 Yb2 76.7(2) .
C56 C51 C52 115.7(4) .
C56 C51 B2 122.7(4) .
C52 C51 B2 120.3(4) .
C56 C51 Yb2 75.3(2) .
C52 C51 Yb2 78.0(2) .
B2 C51 Yb2 105.0(2) .
C53 C52 C51 122.5(4) .
C53 C52 Yb2 80.2(2) .
C51 C52 Yb2 74.3(2) .
C54 C53 C52 120.2(4) .
C54 C53 Yb2 77.9(3) .
C52 C53 Yb2 73.0(2) .
C53 C54 C55 119.0(4) .
C53 C54 Yb2 75.9(3) .
C55 C54 Yb2 73.6(3) .
C54 C55 C56 120.3(4) .
C54 C55 Yb2 80.1(3) .
C56 C55 Yb2 72.4(3) .
C55 C56 C51 122.3(4) .
C55 C56 Yb2 80.3(3) .
C51 C56 Yb2 76.7(2) .
C62 C57 C58 115.1(4) .
C62 C57 B2 122.1(4) .
C58 C57 B2 122.6(4) .
C59 C58 C57 122.9(4) .
C60 C59 C58 120.2(4) .
C59 C60 C61 119.1(4) .
C60 C61 C62 119.7(5) .
C57 C62 C61 123.0(4) .
C68 C63 C64 115.5(4) .
C68 C63 B2 124.6(4) .
C64 C63 B2 119.9(4) .
C65 C64 C63 123.0(5) .
C66 C65 C64 120.0(5) .
C65 C66 C67 119.1(5) .
C66 C67 C68 119.9(5) .
C63 C68 C67 122.5(5) .
C70 C69 C74 119.3(7) .
C71 C70 C69 122.2(6) .
C70 C71 C72 118.3(7) .
C73 C72 C71 122.4(7) .
C72 C73 C74 121.1(7) .
C73 C74 C69 116.6(6) .
C76 C75 C80 121.8(8) .
C77 C76 C75 121.6(9) .
C76 C77 C78 119.8(8) .
C77 C78 C79 120.4(7) .
C78 C79 C80 118.3(7) .
C75 C80 C79 118.0(7) .
C83 C81 C82 117.3(9) 3_757
C83 C82 C81 121.3(7) .
C81 C83 C82 121.4(9) 3_757
C86 C84 C85 120.0(5) 3_556
C86 C85 C84 120.4(5) .
C84 C86 C85 119.6(5) 3_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 Cnt1 2.381 .
Yb1 Cnt2 2.605 .
Yb1 Cnt3 2.639 .
Yb2 Cnt4 2.382 .
Yb2 Cnt5 2.581 .
Yb2 Cnt6 2.636 .
Yb1 C1 2.653(4) .
Yb1 C5 2.667(4) .
Yb1 C3 2.669(4) .
Yb1 C2 2.680(4) .
Yb1 C4 2.682(4) .
Yb1 C22 2.884(5) .
Yb1 C17 2.895(4) .
Yb1 C16 2.911(4) .
Yb1 C11 2.926(4) .
Yb1 C18 2.930(5) .
Yb1 C12 2.932(4) .
Yb1 C15 2.973(5) .
Yb1 C13 2.977(4) .
Yb1 C21 3.010(5) .
Yb1 C14 3.015(5) .
Yb1 C19 3.055(5) .
Yb1 C20 3.128(5) .
B1 C29 1.624(6) .
B1 C23 1.634(6) .
B1 C11 1.640(7) .
B1 C17 1.646(6) .
C1 C5 1.416(6) .
C1 C2 1.425(6) .
C1 C6 1.510(6) .
C2 C3 1.428(6) .
C2 C7 1.500(6) .
C3 C4 1.417(6) .
C3 C8 1.507(6) .
C4 C5 1.418(6) .
C4 C9 1.506(6) .
C5 C10 1.507(6) .
C11 C16 1.404(6) .
C11 C12 1.415(6) .
C12 C13 1.391(6) .
C13 C14 1.395(7) .
C14 C15 1.386(7) .
C15 C16 1.386(7) .
C17 C22 1.401(6) .
C17 C18 1.409(6) .
C18 C19 1.397(7) .
C19 C20 1.384(8) .
C20 C21 1.383(8) .
C21 C22 1.398(7) .
C23 C28 1.400(6) .
C23 C24 1.405(6) .
C24 C25 1.387(6) .
C25 C26 1.377(7) .
C26 C27 1.391(7) .
C27 C28 1.388(6) .
C29 C34 1.399(7) .
C29 C30 1.408(7) .
C30 C31 1.421(7) .
C31 C32 1.371(9) .
C32 C33 1.372(9) .
C33 C34 1.381(7) .
Yb2 C39 2.634(4) .
Yb2 C35 2.644(4) .
Yb2 C38 2.683(5) .
Yb2 C37 2.691(4) .
Yb2 C36 2.701(4) .
Yb2 C50 2.870(4) .
Yb2 C45 2.889(4) .
Yb2 C56 2.896(4) .
Yb2 C46 2.902(4) .
Yb2 C51 2.914(4) .
Yb2 C49 2.945(4) .
Yb2 C52 2.961(4) .
Yb2 C47 2.978(5) .
Yb2 C55 2.996(5) .
Yb2 C48 3.015(5) .
Yb2 C53 3.052(4) .
Yb2 C54 3.076(4) .
B2 C57 1.627(6) .
B2 C63 1.636(6) .
B2 C45 1.642(6) .
B2 C51 1.652(6) .
C35 C36 1.420(7) .
C35 C39 1.424(7) .
C35 C40 1.499(7) .
C36 C37 1.413(7) .
C36 C41 1.517(6) .
C37 C38 1.417(6) .
C37 C42 1.513(7) .
C38 C39 1.421(7) .
C38 C43 1.505(7) .
C39 C44 1.511(7) .
C45 C50 1.404(6) .
C45 C46 1.408(6) .
C46 C47 1.383(6) .
C47 C48 1.387(7) .
C48 C49 1.390(7) .
C49 C50 1.402(6) .
C51 C56 1.405(6) .
C51 C52 1.405(6) .
C52 C53 1.397(6) .
C53 C54 1.387(6) .
C54 C55 1.388(6) .
C55 C56 1.398(6) .
C57 C62 1.397(6) .
C57 C58 1.406(6) .
C58 C59 1.392(7) .
C59 C60 1.381(7) .
C60 C61 1.390(7) .
C61 C62 1.398(7) .
C63 C68 1.395(7) .
C63 C64 1.397(6) .
C64 C65 1.385(7) .
C65 C66 1.382(8) .
C66 C67 1.386(8) .
C67 C68 1.396(7) .
C69 C70 1.360(9) .
C69 C74 1.423(11) .
C70 C71 1.348(9) .
C71 C72 1.359(11) .
C72 C73 1.329(12) .
C73 C74 1.392(12) .
C75 C76 1.315(14) .
C75 C80 1.354(14) .
C76 C77 1.311(13) .
C77 C78 1.352(11) .
C78 C79 1.373(11) .
C79 C80 1.387(11) .
C81 C83 1.371(10) 3_757
C81 C82 1.388(12) .
C82 C83 1.376(12) .
C83 C81 1.371(10) 3_757
C84 C86 1.378(7) 3_556
C84 C85 1.386(7) .
C85 C86 1.385(7) .
C86 C84 1.378(7) 3_556
