#------------------------------------------------------------------------------
#$Date: 2020-02-04 22:45:59 +0200 (Tue, 04 Feb 2020) $
#$Revision: 247767 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/65/1556576.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_1556576
loop_
_publ_author_name
'Shi, Dongliang'
'Yang, Xiaoping'
'Xiao, Zhiyin'
'Liu, Xiaoming'
'Chen, Hongfen'
'Ma, Yanan'
'Schipper, Desmond'
'Jones, Richard A.'
_publ_section_title
;
 A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions.
;
_journal_issue                   3
_journal_name_full               Nanoscale
_journal_page_first              1384
_journal_page_last               1388
_journal_paper_doi               10.1039/c9nr09151c
_journal_volume                  12
_journal_year                    2020
_chemical_formula_sum            'C280 H378 O238 Yb42'
_chemical_formula_weight         14819.50
_chemical_name_systematic        Cluster-1
_chemical_properties_physical    Heat-sensitive
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc23c8xp
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-08-15 deposited with the CCDC.	2019-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                103.703(2)
_cell_angle_beta                 102.725(2)
_cell_angle_gamma                100.939(2)
_cell_formula_units_Z            1
_cell_length_a                   16.5526(7)
_cell_length_b                   32.2692(11)
_cell_length_c                   32.7633(11)
_cell_measurement_reflns_used    32668
_cell_measurement_temperature    190(1)
_cell_measurement_theta_max      29.6029
_cell_measurement_theta_min      1.3103
_cell_volume                     16034.9(11)
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_data_reduction
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      190(1)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2392
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            55673
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    6.120
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'DENZO and Scalepack (Otwinoski and Minor, 1997)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             6902
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         2.205
_refine_diff_density_min         -1.834
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.830
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2516
_refine_ls_number_reflns         55673
_refine_ls_number_restraints     1705
_refine_ls_restrained_S_all      0.823
_refine_ls_R_factor_all          0.1649
_refine_ls_R_factor_gt           0.0824
_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)+(0.0950P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1869
_refine_ls_wR_factor_ref         0.2143
_reflns_number_gt                30249
_reflns_number_total             55673
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9nr09151c2.cif
_cod_data_source_block           cluster-1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1556576.cif.
;
_cod_original_cell_volume        16034.9(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1556576
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
Yb1 Yb 0.27997(6) -0.42513(3) 0.51887(3) 0.0497(3) Uani 1 1 d U
Yb2 Yb 0.44593(6) -0.32544(3) 0.53820(3) 0.0486(3) Uani 1 1 d U
Yb3 Yb 0.26451(6) -0.31614(3) 0.59583(3) 0.0477(3) Uani 1 1 d U
Yb4 Yb 0.41193(7) -0.31324(3) 0.71114(3) 0.0532(3) Uani 1 1 d U
Yb5 Yb 0.36770(6) -0.21070(3) 0.69927(3) 0.0507(3) Uani 1 1 d U
Yb6 Yb 0.60764(6) -0.21328(3) 0.73579(3) 0.0510(3) Uani 1 1 d U
Yb7 Yb 0.63008(7) -0.14931(3) 0.85922(3) 0.0565(3) Uani 1 1 d U
Yb8 Yb 0.73329(6) -0.08854(3) 0.79669(3) 0.0516(3) Uani 1 1 d U
Yb9 Yb 0.57606(6) -0.03804(3) 0.85359(3) 0.0513(3) Uani 1 1 d U
Yb10 Yb 0.76686(7) 0.05356(3) 0.94813(3) 0.0526(3) Uani 1 1 d U
Yb11 Yb 0.64024(7) 0.08926(3) 0.86395(3) 0.0517(3) Uani 1 1 d U
Yb12 Yb 0.88776(6) 0.11642(3) 0.88165(3) 0.0504(3) Uani 1 1 d U
Yb13 Yb 0.91365(7) 0.24346(3) 0.94473(3) 0.0545(3) Uani 1 1 d U
Yb14 Yb 0.93861(7) 0.21791(3) 0.83500(3) 0.0501(3) Uani 1 1 d U
Yb15 Yb 0.77173(7) 0.28436(3) 0.85860(3) 0.0530(3) Uani 1 1 d U
Yb16 Yb 0.92276(7) 0.39460(3) 0.85244(3) 0.0564(3) Uani 1 1 d U
Yb17 Yb 0.73050(7) 0.33935(3) 0.76256(3) 0.0547(3) Uani 1 1 d U
Yb18 Yb 0.94813(6) 0.36153(3) 0.73395(3) 0.0490(3) Uani 1 1 d U
Yb19 Yb 0.88423(7) 0.45414(3) 0.68041(3) 0.0512(3) Uani 1 1 d U
Yb20 Yb 0.88660(6) 0.35092(3) 0.60719(3) 0.0470(3) Uani 1 1 d U
Yb21 Yb 0.67668(6) 0.39025(3) 0.58516(3) 0.0479(3) Uani 1 1 d U
O1 O 0.1194(8) -0.3402(4) 0.6039(4) 0.041(3) Uani 1 1 d U
O2 O 0.1412(9) -0.4552(4) 0.4665(4) 0.038(3) Uani 1 1 d U
O3 O 0.7255(8) -0.2521(4) 0.7452(4) 0.043(4) Uani 1 1 d U
O4 O 0.4430(9) -0.3722(4) 0.6636(4) 0.048(4) Uani 1 1 d U
O5 O 0.4620(9) -0.0415(4) 0.8923(4) 0.053(4) Uani 1 1 d U
O6 O 0.4924(9) -0.2001(4) 0.8372(4) 0.043(4) Uani 1 1 d U
O7 O 1.0358(8) 0.1067(4) 0.9091(4) 0.045(4) Uani 1 1 d U
O8 O 0.8199(9) -0.0109(4) 0.9422(4) 0.045(4) Uani 1 1 d U
O9 O 0.6869(9) 0.3176(4) 0.9063(4) 0.050(4) Uani 1 1 d U
O10 O 0.8098(9) 0.2023(4) 0.9703(4) 0.038(3) Uani 1 1 d U
O11 O 0.1833(8) -0.3880(4) 0.5462(4) 0.042(4) Uani 1 1 d U
O12 O 1.0209(8) 0.3609(4) 0.8905(4) 0.032(3) Uani 1 1 d U
O13 O 0.5790(8) 0.4380(4) 0.6036(4) 0.044(4) Uani 1 1 d U
O14 O 0.8307(9) 0.4674(4) 0.7439(4) 0.044(4) Uani 1 1 d U
O15 O 0.2843(7) -0.4991(4) 0.4784(4) 0.032(3) Uani 1 1 d U
O16 O 0.2916(8) -0.4519(4) 0.4421(4) 0.043(4) Uani 1 1 d U
O17 O 0.3631(8) -0.4503(4) 0.5744(4) 0.033(3) Uani 1 1 d U
O18 O 0.2226(9) -0.4714(4) 0.5611(4) 0.046(4) Uani 1 1 d U
O19 O 0.5708(8) -0.2993(4) 0.5122(4) 0.048(4) Uani 1 1 d U
O20 O 0.4586(8) -0.3450(4) 0.4628(4) 0.039(3) Uani 1 1 d U
O21 O 0.3519(7) -0.2791(4) 0.5609(4) 0.032(3) Uani 1 1 d U
O22 O 0.5636(8) -0.2943(4) 0.7133(4) 0.038(3) Uani 1 1 d U
O23 O 0.4262(8) -0.4069(4) 0.5158(4) 0.040(3) Uani 1 1 d U
O24 O 0.5438(8) -0.3691(4) 0.5658(4) 0.051(4) Uani 1 1 d U
O25 O 0.5299(8) -0.2768(4) 0.6059(4) 0.033(3) Uani 1 1 d U
O26 O 0.6276(8) -0.2371(4) 0.6665(4) 0.051(4) Uani 1 1 d U
O27 O 0.2444(7) -0.2481(4) 0.6327(4) 0.025(3) Uani 1 1 d U
O28 O 0.2441(8) -0.1822(4) 0.6730(4) 0.047(4) Uani 1 1 d U
O29 O 0.4064(7) -0.1742(4) 0.6456(4) 0.032(3) Uani 1 1 d U
O30 O 0.5089(7) -0.1850(4) 0.6911(4) 0.031(3) Uani 1 1 d U
O31 O 0.4826(9) -0.3427(5) 0.7680(5) 0.056(4) Uani 1 1 d U
O32 O 0.4022(9) -0.2992(5) 0.7862(4) 0.054(4) Uani 1 1 d U
O33 O 0.2893(8) -0.2798(4) 0.7112(4) 0.038(3) Uani 1 1 d U
O34 O 0.2865(9) -0.2184(5) 0.7547(5) 0.055(4) Uani 1 1 d U
O35 O 0.4225(8) -0.1391(4) 0.7526(4) 0.041(3) Uani 1 1 d U
O36 O 0.4470(7) -0.0758(4) 0.7984(4) 0.034(3) Uani 1 1 d U
O37 O 0.6311(8) -0.2217(4) 0.8072(4) 0.035(3) Uani 1 1 d U
O38 O 0.6733(8) -0.2149(4) 0.8763(5) 0.049(4) Uani 1 1 d U
O39 O 0.7292(7) -0.1575(4) 0.7413(4) 0.027(3) Uani 1 1 d U
O40 O 0.8265(9) -0.0972(5) 0.7491(5) 0.066(4) Uani 1 1 d U
O41 O 0.6004(9) -0.1528(4) 0.9289(4) 0.048(4) Uani 1 1 d U
O42 O 0.7308(9) -0.1183(4) 0.9302(5) 0.058(4) Uani 1 1 d U
O43 O 0.7614(8) -0.1435(4) 0.8376(4) 0.042(3) Uani 1 1 d U
O44 O 0.8677(8) -0.0876(5) 0.8498(4) 0.053(4) Uani 1 1 d U
O45 O 0.6534(9) -0.0756(4) 0.7289(4) 0.050(4) Uani 1 1 d U
O46 O 0.6200(7) -0.0487(4) 0.7892(4) 0.036(3) Uani 1 1 d U
O47 O 0.6479(8) -0.0150(4) 0.9308(4) 0.040(3) Uani 1 1 d U
O48 O 0.7082(9) 0.0202(4) 1.0006(4) 0.052(4) Uani 1 1 d U
O49 O 0.5227(8) 0.0208(4) 0.8421(4) 0.042(3) Uani 1 1 d U
O50 O 0.4865(8) 0.0784(4) 0.8264(5) 0.054(4) Uani 1 1 d U
O51 O 0.7782(9) 0.1196(4) 1.0055(4) 0.048(4) Uani 1 1 d U
O52 O 0.8883(9) 0.0882(5) 1.0166(5) 0.061(4) Uani 1 1 d U
O53 O 0.6274(8) 0.0703(4) 0.9327(4) 0.047(4) Uani 1 1 d U
O54 O 0.5944(8) 0.1307(4) 0.9263(4) 0.037(3) Uani 1 1 d U
O55 O 0.8068(8) -0.0132(4) 0.8186(4) 0.038(3) Uani 1 1 d U
O56 O 0.8950(9) 0.0659(4) 0.9237(4) 0.041(3) Uani 1 1 d U
O57 O 0.6253(9) 0.0628(4) 0.7845(4) 0.050(4) Uani 1 1 d U
O58 O 0.7542(7) 0.0965(4) 0.8269(4) 0.035(3) Uani 1 1 d U
O59 O 0.6598(7) 0.1613(4) 0.8556(3) 0.024(3) Uani 1 1 d U
O60 O 0.6542(7) 0.2248(4) 0.8469(4) 0.036(3) Uani 1 1 d U
O61 O 0.9629(8) 0.1444(4) 0.8355(4) 0.039(3) Uani 1 1 d U
O62 O 1.0152(9) 0.1735(5) 0.7904(5) 0.058(4) Uani 1 1 d U
O63 O 0.9490(8) 0.1703(4) 0.9512(4) 0.044(4) Uani 1 1 d U
O64 O 1.0167(8) 0.2312(4) 1.0046(4) 0.039(3) Uani 1 1 d U
O65 O 0.8226(8) 0.1684(4) 0.7703(4) 0.036(3) Uani 1 1 d U
O66 O 0.7933(7) 0.2268(4) 0.8061(4) 0.037(3) Uani 1 1 d U
O67 O 1.0906(8) 0.2603(4) 0.8705(4) 0.048(4) Uani 1 1 d U
O68 O 1.0299(8) 0.2291(4) 0.9126(4) 0.039(3) Uani 1 1 d U
O69 O 1.0102(9) 0.3164(4) 0.9814(5) 0.057(4) Uani 1 1 d U
O70 O 0.9110(12) 0.2942(6) 1.0144(5) 0.082(5) Uani 1 1 d U
O71 O 0.8545(8) 0.3564(4) 0.8998(4) 0.042(4) Uani 1 1 d U
O72 O 0.9176(9) 0.4276(4) 0.9281(4) 0.045(4) Uani 1 1 d U
O73 O 0.6647(8) 0.3019(4) 0.8070(4) 0.038(3) Uani 1 1 d U
O74 O 0.5768(8) 0.3084(4) 0.7514(4) 0.049(4) Uani 1 1 d U
O75 O 0.7042(8) 0.2621(4) 0.7197(4) 0.037(3) Uani 1 1 d U
O76 O 0.8173(7) 0.3067(4) 0.7166(4) 0.033(3) Uani 1 1 d U
O77 O 0.6830(9) 0.4076(4) 0.7862(4) 0.050(4) Uani 1 1 d U
O78 O 0.7722(8) 0.3935(4) 0.8394(4) 0.046(4) Uani 1 1 d U
O79 O 0.9402(9) 0.4739(4) 0.8562(4) 0.057(4) Uani 1 1 d U
O80 O 1.0543(10) 0.4546(5) 0.8904(5) 0.065(5) Uani 1 1 d U
O81 O 0.9585(7) 0.2653(4) 0.7908(4) 0.031(3) Uani 1 1 d U
O82 O 0.9931(8) 0.3007(4) 0.7448(4) 0.043(4) Uani 1 1 d U
O83 O 0.6838(8) 0.3537(4) 0.6954(4) 0.029(3) Uani 1 1 d U
O84 O 0.6141(8) 0.3614(4) 0.6323(4) 0.046(4) Uani 1 1 d U
O85 O 0.9830(7) 0.4390(4) 0.7423(4) 0.036(3) Uani 1 1 d U
O86 O 1.0148(8) 0.5047(4) 0.7361(4) 0.042(3) Uani 1 1 d U
O87 O 0.8684(8) 0.5298(4) 0.6885(4) 0.041(4) Uani 1 1 d U
O88 O 0.9373(8) 0.5034(4) 0.6414(4) 0.038(3) Uani 1 1 d U
O89 O 0.7935(8) 0.2793(4) 0.6027(4) 0.035(3) Uani 1 1 d U
O90 O 0.7287(7) 0.3280(4) 0.5857(3) 0.031(3) Uani 1 1 d U
O91 O 1.0019(9) 0.3978(5) 0.5885(4) 0.053(4) Uani 1 1 d U
O92 O 0.9940(8) 0.4226(4) 0.6564(4) 0.044(4) Uani 1 1 d U
O93 O 0.9831(8) 0.3013(4) 0.6022(4) 0.045(4) Uani 1 1 d U
O94 O 0.9757(8) 0.3308(4) 0.6661(4) 0.041(3) Uani 1 1 d U
O95 O 0.2780(8) -0.3577(4) 0.6479(4) 0.043(4) Uani 1 1 d U
O96 O 0.3005(8) -0.3772(4) 0.7074(4) 0.047(4) Uani 1 1 d U
O97 O 0.8466(8) 0.3272(4) 0.5298(4) 0.036(3) Uani 1 1 d U
O98 O 0.8306(7) 0.3017(4) 0.4597(4) 0.031(3) Uani 1 1 d U
O99 O 0.3580(7) -0.3579(4) 0.5772(3) 0.033(3) Uani 1 1 d U
H99D H 0.3920 -0.3639 0.6026 0.039 Uiso 1 1 calc R
O100 O 0.3055(8) -0.3641(4) 0.4873(4) 0.039(3) Uani 1 1 d U
H10Q H 0.2630 -0.3467 0.4883 0.047 Uiso 1 1 calc R
O101 O 0.3928(7) -0.2756(3) 0.6556(4) 0.031(3) Uani 1 1 d U
H10R H 0.4440 -0.2691 0.6455 0.038 Uiso 1 1 calc R
O102 O 0.4696(7) -0.2362(4) 0.7422(4) 0.034(3) Uani 1 1 d U
H10S H 0.4694 -0.2273 0.7729 0.041 Uiso 1 1 calc R
O103 O 0.6024(7) -0.1448(3) 0.7851(3) 0.024(3) Uani 1 1 d U
H10T H 0.5501 -0.1356 0.7755 0.029 Uiso 1 1 calc R
O104 O 0.7343(8) 0.4441(4) 0.6559(4) 0.041(3) Uani 1 1 d U
O105 O 0.6982(7) 0.0253(3) 0.8686(3) 0.024(3) Uani 1 1 d U
H10V H 0.7379 0.0200 0.8509 0.029 Uiso 1 1 calc R
O106 O 0.7772(7) 0.1121(4) 0.9160(4) 0.039(3) Uani 1 1 d U
H10W H 0.7839 0.1403 0.9376 0.047 Uiso 1 1 calc R
O107 O 0.8527(7) 0.1871(4) 0.8771(3) 0.027(3) Uani 1 1 d U
H10X H 0.7913 0.1837 0.8652 0.032 Uiso 1 1 calc R
O108 O 0.9098(7) 0.2760(4) 0.8845(3) 0.027(3) Uani 1 1 d U
H10Y H 0.9540 0.3037 0.8926 0.032 Uiso 1 1 calc R
O109 O 0.8364(7) 0.3206(4) 0.8137(3) 0.031(3) Uani 1 1 d U
H10Z H 0.8688 0.3027 0.7987 0.038 Uiso 1 1 calc R
O110 O 0.8655(8) 0.3914(4) 0.7767(4) 0.042(4) Uani 1 1 d U
H11Q H 0.8587 0.4200 0.7733 0.050 Uiso 1 1 calc R
O111 O 0.8508(7) 0.3769(3) 0.6753(3) 0.023(3) Uani 1 1 d U
H11R H 0.7905 0.3649 0.6730 0.028 Uiso 1 1 calc R
O112 O 0.8272(8) 0.4111(4) 0.6036(4) 0.043(4) Uani 1 1 d U
H11S H 0.8481 0.4268 0.5842 0.051 Uiso 1 1 calc R
O113 O 1.1083(8) 0.3866(4) 0.7531(4) 0.039(3) Uani 1 1 d U
O114 O 0.7856(8) 0.2677(4) 0.9273(4) 0.033(3) Uani 1 1 d U
O115 O 0.4204(8) -0.2591(4) 0.5157(4) 0.045(4) Uani 1 1 d U
O116 O 0.5256(8) -0.1068(4) 0.8668(4) 0.038(3) Uani 1 1 d U
O117 O 0.8936(7) 0.0509(4) 0.8336(4) 0.035(3) Uani 1 1 d U
O118 O 1.0186(8) 0.3787(4) 0.8113(4) 0.039(3) Uani 1 1 d U
O119 O 0.6859(7) -0.0737(3) 0.8611(3) 0.029(3) Uani 1 1 d U
H11T H 0.7333 -0.0578 0.8873 0.035 Uiso 1 1 calc R
C1 C 0.0839(12) -0.3179(7) 0.6363(7) 0.051(6) Uani 1 1 d U
H1A H 0.0454 -0.3393 0.6437 0.077 Uiso 1 1 calc R
H1B H 0.0532 -0.2988 0.6248 0.077 Uiso 1 1 calc R
H1C H 0.1292 -0.3008 0.6619 0.077 Uiso 1 1 calc R
C2 C 0.0529(13) -0.3758(6) 0.5693(6) 0.039(5) Uani 1 1 d U
C3 C -0.0306(13) -0.3840(6) 0.5661(6) 0.044(5) Uani 1 1 d U
H3A H -0.0528 -0.3675 0.5862 0.052 Uiso 1 1 calc R
C4 C -0.0816(14) -0.4187(7) 0.5311(7) 0.052(6) Uani 1 1 d U
H4A H -0.1405 -0.4264 0.5271 0.062 Uiso 1 1 calc R
C5 C -0.0481(14) -0.4410(7) 0.5035(8) 0.059(6) Uani 1 1 d U
H5A H -0.0866 -0.4640 0.4806 0.071 Uiso 1 1 calc R
C6 C 0.0382(11) -0.4347(5) 0.5038(6) 0.027(5) Uani 1 1 d U
C7 C 0.0999(11) -0.3969(5) 0.5413(5) 0.023(4) Uani 1 1 d U
C8 C 0.0704(14) -0.4577(6) 0.4695(6) 0.040(5) Uani 1 1 d U
H8A H 0.0281 -0.4779 0.4458 0.048 Uiso 1 1 calc R
C9 C 0.8179(14) -0.2301(7) 0.7682(8) 0.073(7) Uani 1 1 d U
H9A H 0.8411 -0.2474 0.7857 0.109 Uiso 1 1 calc R
H9B H 0.8229 -0.2012 0.7868 0.109 Uiso 1 1 calc R
H9C H 0.8489 -0.2274 0.7471 0.109 Uiso 1 1 calc R
C10 C 0.7090(17) -0.2967(8) 0.7242(8) 0.068(7) Uani 1 1 d U
C11 C 0.7716(14) -0.3177(7) 0.7186(6) 0.047(6) Uani 1 1 d U
H11A H 0.8292 -0.3027 0.7287 0.057 Uiso 1 1 calc R
C12 C 0.7445(18) -0.3636(9) 0.6965(9) 0.087(9) Uani 1 1 d U
H12A H 0.7845 -0.3801 0.6942 0.104 Uiso 1 1 calc R
C13 C 0.6615(18) -0.3826(9) 0.6792(9) 0.085(8) Uani 1 1 d U
H13A H 0.6467 -0.4120 0.6627 0.102 Uiso 1 1 calc R
C14 C 0.5927(13) -0.3629(7) 0.6831(6) 0.041(5) Uani 1 1 d U
C15 C 0.6170(14) -0.3178(7) 0.7076(6) 0.044(6) Uani 1 1 d U
C16 C 0.5093(13) -0.3852(7) 0.6605(6) 0.045(6) Uani 1 1 d U
H16A H 0.5008 -0.4127 0.6408 0.054 Uiso 1 1 calc R
C17 C 0.4255(13) -0.0028(7) 0.9106(7) 0.066(7) Uani 1 1 d DU
H17A H 0.4091 -0.0063 0.9362 0.099 Uiso 1 1 calc R
H17B H 0.3764 -0.0024 0.8889 0.099 Uiso 1 1 calc R
H17C H 0.4684 0.0245 0.9182 0.099 Uiso 1 1 calc R
C18 C 0.4111(13) -0.0840(7) 0.8889(6) 0.044(5) Uani 1 1 d U
C19 C 0.3369(14) -0.0908(7) 0.8981(6) 0.049(6) Uani 1 1 d U
H19A H 0.3149 -0.0672 0.9085 0.059 Uiso 1 1 calc R
C20 C 0.2910(16) -0.1349(9) 0.8918(8) 0.073(8) Uani 1 1 d U
H20A H 0.2403 -0.1405 0.8998 0.088 Uiso 1 1 calc R
C21 C 0.3217(16) -0.1677(9) 0.8745(8) 0.072(7) Uani 1 1 d U
H21A H 0.2881 -0.1965 0.8662 0.087 Uiso 1 1 calc R
C22 C 0.4030(13) -0.1601(7) 0.8683(6) 0.041(5) Uani 1 1 d U
C23 C 0.4499(13) -0.1158(6) 0.8733(6) 0.039(5) Uani 1 1 d U
C24 C 0.4259(14) -0.1991(7) 0.8467(6) 0.042(5) Uani 1 1 d U
H24A H 0.3856 -0.2260 0.8394 0.050 Uiso 1 1 calc R
C25 C 1.1114(12) 0.1299(7) 0.9014(6) 0.048(6) Uani 1 1 d U
H25A H 1.1610 0.1311 0.9237 0.072 Uiso 1 1 calc R
H25B H 1.1077 0.1594 0.9020 0.072 Uiso 1 1 calc R
H25C H 1.1160 0.1149 0.8733 0.072 Uiso 1 1 calc R
C26 C 1.0383(16) 0.0669(7) 0.9201(7) 0.061(7) Uani 1 1 d U
C27 C 1.1114(16) 0.0523(8) 0.9241(8) 0.066(7) Uani 1 1 d U
H27A H 1.1597 0.0669 0.9182 0.080 Uiso 1 1 calc R
C28 C 1.1086(14) 0.0141(7) 0.9376(7) 0.054(6) Uani 1 1 d U
H28A H 1.1562 0.0025 0.9412 0.064 Uiso 1 1 calc R
C29 C 1.0342(12) -0.0064(6) 0.9454(6) 0.037(5) Uani 1 1 d U
H29A H 1.0338 -0.0306 0.9562 0.045 Uiso 1 1 calc R
C30 C 0.9600(13) 0.0085(6) 0.9376(6) 0.040(5) Uani 1 1 d U
C31 C 0.9564(15) 0.0485(7) 0.9278(6) 0.050(6) Uani 1 1 d U
C32 C 0.8929(13) -0.0180(6) 0.9454(6) 0.037(5) Uani 1 1 d U
H32A H 0.9023 -0.0428 0.9536 0.044 Uiso 1 1 calc R
C33 C 0.6448(14) 0.3520(8) 0.9028(8) 0.070(7) Uani 1 1 d U
H33A H 0.6393 0.3663 0.9309 0.106 Uiso 1 1 calc R
H33B H 0.5889 0.3395 0.8824 0.106 Uiso 1 1 calc R
H33C H 0.6778 0.3731 0.8926 0.106 Uiso 1 1 calc R
C34 C 0.6649(12) 0.2959(6) 0.9359(6) 0.039(5) Uani 1 1 d U
C35 C 0.5987(13) 0.2985(6) 0.9537(7) 0.043(5) Uani 1 1 d U
H35A H 0.5629 0.3166 0.9477 0.051 Uiso 1 1 calc R
C36 C 0.5875(17) 0.2729(8) 0.9809(8) 0.077(8) Uani 1 1 d U
H36A H 0.5423 0.2743 0.9933 0.093 Uiso 1 1 calc R
C37 C 0.6354(14) 0.2463(7) 0.9913(7) 0.056(6) Uani 1 1 d U
H37A H 0.6242 0.2308 1.0108 0.067 Uiso 1 1 calc R
C38 C 0.7019(12) 0.2416(6) 0.9729(6) 0.038(5) Uani 1 1 d U
C39 C 0.7215(13) 0.2689(6) 0.9454(6) 0.042(5) Uani 1 1 d U
C40 C 0.7494(14) 0.2116(6) 0.9832(7) 0.050(6) Uani 1 1 d U
H40A H 0.7326 0.1969 1.0023 0.060 Uiso 1 1 calc R
C41 C 1.1608(12) 0.4004(7) 0.7258(6) 0.049(6) Uani 1 1 d U
H41C H 1.1290 0.4125 0.7055 0.059 Uiso 1 1 calc R
H41A H 1.1762 0.3754 0.7101 0.059 Uiso 1 1 calc R
H41B H 1.2118 0.4224 0.7440 0.059 Uiso 1 1 calc R
C42 C 1.1521(14) 0.3800(7) 0.7937(7) 0.053(6) Uani 1 1 d U
C43 C 1.2395(14) 0.3806(7) 0.8030(8) 0.059(7) Uani 1 1 d U
H43A H 1.2715 0.3855 0.7838 0.071 Uiso 1 1 calc R
C44 C 1.2752(16) 0.3737(7) 0.8422(8) 0.063(7) Uani 1 1 d U
H44A H 1.3329 0.3742 0.8506 0.076 Uiso 1 1 calc R
C45 C 1.2285(15) 0.3669(7) 0.8660(8) 0.058(6) Uani 1 1 d U
H45A H 1.2532 0.3582 0.8899 0.070 Uiso 1 1 calc R
C46 C 1.1422(14) 0.3704(6) 0.8624(6) 0.044(6) Uani 1 1 d U
C47 C 1.1056(13) 0.3797(6) 0.8227(7) 0.044(6) Uani 1 1 d U
C48 C 1.0932(15) 0.3611(6) 0.8905(7) 0.046(6) Uani 1 1 d U
H48A H 1.1231 0.3536 0.9140 0.056 Uiso 1 1 calc R
C49 C 0.4996(13) 0.4391(7) 0.5761(6) 0.053(6) Uani 1 1 d U
H49A H 0.4814 0.4640 0.5899 0.080 Uiso 1 1 calc R
H49B H 0.4570 0.4124 0.5716 0.080 Uiso 1 1 calc R
H49C H 0.5072 0.4415 0.5485 0.080 Uiso 1 1 calc R
C50 C 0.5962(12) 0.4593(6) 0.6491(6) 0.036(5) Uani 1 1 d U
C51 C 0.5376(14) 0.4796(7) 0.6662(7) 0.054(6) Uani 1 1 d U
H51A H 0.4854 0.4781 0.6473 0.065 Uiso 1 1 calc R
C52 C 0.5556(18) 0.5021(8) 0.7107(9) 0.084(8) Uani 1 1 d U
H52A H 0.5194 0.5170 0.7226 0.101 Uiso 1 1 calc R
C53 C 0.6327(18) 0.4995(8) 0.7345(9) 0.083(8) Uani 1 1 d U
H53A H 0.6455 0.5105 0.7648 0.100 Uiso 1 1 calc R
C54 C 0.6945(14) 0.4820(7) 0.7179(7) 0.047(6) Uani 1 1 d U
C55 C 0.6795(14) 0.4612(7) 0.6747(7) 0.046(6) Uani 1 1 d U
C56 C 0.7737(13) 0.4793(6) 0.7497(7) 0.041(5) Uani 1 1 d U
H56A H 0.7753 0.4893 0.7790 0.049 Uiso 1 1 calc R
C57 C 0.2883(12) -0.5246(6) 0.4046(6) 0.044(5) Uani 1 1 d U
H57A H 0.3456 -0.5214 0.4020 0.065 Uiso 1 1 calc R
H57B H 0.2522 -0.5209 0.3792 0.065 Uiso 1 1 calc R
H57C H 0.2670 -0.5535 0.4070 0.065 Uiso 1 1 calc R
C58 C 0.2882(11) -0.4900(6) 0.4452(6) 0.033(5) Uani 1 1 d U
C59 C 0.5785(13) -0.3155(7) 0.4375(6) 0.053(6) Uani 1 1 d U
H59A H 0.6119 -0.3367 0.4341 0.079 Uiso 1 1 calc R
H59B H 0.6151 -0.2863 0.4451 0.079 Uiso 1 1 calc R
H59C H 0.5354 -0.3210 0.4105 0.079 Uiso 1 1 calc R
C60 C 0.5359(13) -0.3194(6) 0.4733(7) 0.040(5) Uani 1 1 d U
C61 C 0.3074(14) -0.4930(8) 0.6185(8) 0.074(8) Uani 1 1 d U
H61A H 0.2564 -0.5160 0.6125 0.111 Uiso 1 1 calc R
H61B H 0.3165 -0.4722 0.6465 0.111 Uiso 1 1 calc R
H61C H 0.3556 -0.5055 0.6188 0.111 Uiso 1 1 calc R
C62 C 0.2970(16) -0.4683(7) 0.5816(7) 0.047(6) Uani 1 1 d U
C63 C 0.5224(13) -0.4439(6) 0.5452(6) 0.051(6) Uani 1 1 d U
H63A H 0.4737 -0.4691 0.5336 0.077 Uiso 1 1 calc R
H63B H 0.5474 -0.4406 0.5755 0.077 Uiso 1 1 calc R
H63C H 0.5639 -0.4482 0.5293 0.077 Uiso 1 1 calc R
C64 C 0.4952(13) -0.4045(6) 0.5408(6) 0.037(5) Uani 1 1 d U
C65 C 0.3203(12) -0.2185(6) 0.5352(6) 0.045(6) Uani 1 1 d U
H65A H 0.3572 -0.1931 0.5326 0.068 Uiso 1 1 calc R
H65B H 0.3028 -0.2106 0.5615 0.068 Uiso 1 1 calc R
H65C H 0.2707 -0.2294 0.5104 0.068 Uiso 1 1 calc R
C66 C 0.3682(9) -0.2542(5) 0.5372(5) 0.028(4) Uani 1 1 d U
C67 C 0.6801(15) -0.2732(8) 0.6121(8) 0.080(8) Uani 1 1 d U
H67A H 0.7323 -0.2592 0.6351 0.119 Uiso 1 1 calc R
H67B H 0.6835 -0.2635 0.5869 0.119 Uiso 1 1 calc R
H67C H 0.6716 -0.3047 0.6046 0.119 Uiso 1 1 calc R
C68 C 0.6069(15) -0.2612(7) 0.6272(7) 0.045(6) Uani 1 1 d U
C69 C 0.1376(14) -0.2155(8) 0.6021(8) 0.075(8) Uani 1 1 d U
H69A H 0.0846 -0.2222 0.6095 0.113 Uiso 1 1 calc R
H69B H 0.1347 -0.2367 0.5754 0.113 Uiso 1 1 calc R
H69C H 0.1475 -0.1865 0.5983 0.113 Uiso 1 1 calc R
C70 C 0.2101(13) -0.2170(7) 0.6384(6) 0.038(5) Uani 1 1 d U
C71 C 0.1711(12) -0.4150(6) 0.6508(6) 0.048(6) Uani 1 1 d U
H71A H 0.1681 -0.4379 0.6649 0.071 Uiso 1 1 calc R
H71B H 0.1641 -0.4276 0.6202 0.071 Uiso 1 1 calc R
H71C H 0.1264 -0.4005 0.6544 0.071 Uiso 1 1 calc R
C72 C 0.2581(13) -0.3815(6) 0.6713(6) 0.036(5) Uani 1 1 d U
C73 C 0.4703(17) -0.3277(9) 0.8394(8) 0.097(9) Uani 1 1 d U
H73A H 0.5269 -0.3097 0.8553 0.146 Uiso 1 1 calc R
H73B H 0.4681 -0.3579 0.8382 0.146 Uiso 1 1 calc R
H73C H 0.4298 -0.3181 0.8540 0.146 Uiso 1 1 calc R
C74 C 0.4485(15) -0.3235(7) 0.7936(7) 0.050(6) Uani 1 1 d U
C75 C 0.2155(12) -0.2847(7) 0.7654(6) 0.050(6) Uani 1 1 d U
H75A H 0.1608 -0.3009 0.7453 0.075 Uiso 1 1 calc R
H75B H 0.2074 -0.2645 0.7899 0.075 Uiso 1 1 calc R
H75C H 0.2453 -0.3048 0.7753 0.075 Uiso 1 1 calc R
C76 C 0.2678(15) -0.2591(8) 0.7425(8) 0.059(7) Uani 1 1 d U
C77 C 0.5477(12) -0.1559(6) 0.6343(6) 0.042(5) Uani 1 1 d U
H77A H 0.5270 -0.1359 0.6197 0.063 Uiso 1 1 calc R
H77B H 0.5542 -0.1804 0.6133 0.063 Uiso 1 1 calc R
H77C H 0.6020 -0.1409 0.6553 0.063 Uiso 1 1 calc R
C78 C 0.4840(12) -0.1724(6) 0.6576(6) 0.029(5) Uani 1 1 d U
C79 C 0.6817(14) -0.2794(7) 0.8292(7) 0.062(7) Uani 1 1 d U
H79A H 0.6280 -0.3014 0.8182 0.093 Uiso 1 1 calc R
H79B H 0.7146 -0.2834 0.8554 0.093 Uiso 1 1 calc R
H79C H 0.7128 -0.2823 0.8076 0.093 Uiso 1 1 calc R
C80 C 0.6665(16) -0.2367(9) 0.8387(9) 0.069(7) Uani 1 1 d U
C81 C 0.3001(13) -0.1143(7) 0.7687(7) 0.057(6) Uani 1 1 d U
H81A H 0.2678 -0.1421 0.7480 0.086 Uiso 1 1 calc R
H81B H 0.2832 -0.0908 0.7584 0.086 Uiso 1 1 calc R
H81C H 0.2892 -0.1128 0.7965 0.086 Uiso 1 1 calc R
C82 C 0.3959(13) -0.1096(7) 0.7734(6) 0.040(5) Uani 1 1 d U
C83 C 0.7093(14) -0.1344(7) 0.9965(7) 0.068(7) Uani 1 1 d U
H83A H 0.7088 -0.1066 1.0150 0.101 Uiso 1 1 calc R
H83B H 0.7666 -0.1379 1.0023 0.101 Uiso 1 1 calc R
H83C H 0.6727 -0.1578 1.0024 0.101 Uiso 1 1 calc R
C84 C 0.6759(18) -0.1360(8) 0.9471(8) 0.064(7) Uani 1 1 d U
C85 C 0.8121(15) -0.1641(8) 0.6908(8) 0.083(8) Uani 1 1 d U
H85A H 0.8407 -0.1846 0.7006 0.124 Uiso 1 1 calc R
H85B H 0.8501 -0.1446 0.6811 0.124 Uiso 1 1 calc R
H85C H 0.7621 -0.1799 0.6670 0.124 Uiso 1 1 calc R
C86 C 0.7863(13) -0.1378(7) 0.7275(7) 0.041(5) Uani 1 1 d U
C87 C 0.5299(13) -0.0438(7) 0.7217(7) 0.057(6) Uani 1 1 d U
H87A H 0.5466 -0.0301 0.7008 0.086 Uiso 1 1 calc R
H87B H 0.5125 -0.0233 0.7423 0.086 Uiso 1 1 calc R
H87C H 0.4830 -0.0694 0.7068 0.086 Uiso 1 1 calc R
C88 C 0.6077(13) -0.0579(6) 0.7466(6) 0.034(5) Uani 1 1 d U
C89 C 0.8921(15) -0.1377(8) 0.8889(8) 0.076(8) Uani 1 1 d U
H89A H 0.8565 -0.1565 0.9004 0.114 Uiso 1 1 calc R
H89B H 0.9296 -0.1132 0.9125 0.114 Uiso 1 1 calc R
H89C H 0.9256 -0.1542 0.8745 0.114 Uiso 1 1 calc R
C90 C 0.8374(15) -0.1214(7) 0.8572(7) 0.049(6) Uani 1 1 d U
C91 C 0.5957(11) -0.0470(6) 0.9810(6) 0.043(5) Uani 1 1 d DU
H91A H 0.6269 -0.0677 0.9883 0.065 Uiso 1 1 calc R
H91B H 0.5471 -0.0621 0.9561 0.065 Uiso 1 1 calc R
H91C H 0.5764 -0.0340 1.0054 0.065 Uiso 1 1 calc R
C92 C 0.6524(12) -0.0119(6) 0.9704(6) 0.031(5) Uani 1 1 d U
C93 C 0.3795(15) 0.0120(8) 0.7913(8) 0.085(8) Uani 1 1 d U
H93A H 0.3427 0.0071 0.8096 0.128 Uiso 1 1 calc R
H93B H 0.3827 -0.0159 0.7741 0.128 Uiso 1 1 calc R
H93C H 0.3569 0.0281 0.7724 0.128 Uiso 1 1 calc R
C94 C 0.4723(14) 0.0394(8) 0.8210(7) 0.051(6) Uani 1 1 d U
C95 C 0.9518(12) -0.0099(7) 0.8134(7) 0.049(6) Uani 1 1 d U
H95A H 1.0026 0.0127 0.8180 0.074 Uiso 1 1 calc R
H95B H 0.9357 -0.0289 0.7839 0.074 Uiso 1 1 calc R
H95C H 0.9626 -0.0268 0.8335 0.074 Uiso 1 1 calc R
C96 C 0.8808(13) 0.0108(7) 0.8206(6) 0.041(5) Uani 1 1 d U
C97 C 0.7447(12) 0.0606(6) 0.7523(6) 0.047(6) Uiso 1 1 d .
H97A H 0.7035 0.0571 0.7252 0.071 Uiso 1 1 calc R
H97B H 0.7612 0.0335 0.7515 0.071 Uiso 1 1 calc R
H97C H 0.7943 0.0837 0.7563 0.071 Uiso 1 1 calc R
C98 C 0.7043(12) 0.0727(6) 0.7913(6) 0.031(5) Uani 1 1 d U
C99 C 0.5822(13) 0.1108(7) 0.9896(7) 0.055(6) Uani 1 1 d U
H99A H 0.6351 0.1152 1.0113 0.082 Uiso 1 1 calc R
H99B H 0.5413 0.0855 0.9900 0.082 Uiso 1 1 calc R
H99C H 0.5603 0.1364 0.9960 0.082 Uiso 1 1 calc R
C100 C 0.5976(14) 0.1033(8) 0.9451(7) 0.053(6) Uani 1 1 d U
C101 C 0.8982(13) 0.1594(7) 1.0652(6) 0.054(6) Uani 1 1 d U
H10A H 0.8975 0.1514 1.0916 0.081 Uiso 1 1 calc R
H10B H 0.8711 0.1830 1.0643 0.081 Uiso 1 1 calc R
H10C H 0.9564 0.1686 1.0644 0.081 Uiso 1 1 calc R
C102 C 0.8495(14) 0.1192(7) 1.0254(6) 0.040(5) Uani 1 1 d U
C103 C 1.0587(12) 0.1657(6) 1.0080(6) 0.039(5) Uani 1 1 d U
H10D H 1.0281 0.1535 1.0260 0.058 Uiso 1 1 calc R
H10E H 1.1139 0.1840 1.0259 0.058 Uiso 1 1 calc R
H10F H 1.0659 0.1421 0.9861 0.058 Uiso 1 1 calc R
C104 C 1.0096(14) 0.1924(8) 0.9867(7) 0.053(6) Uani 1 1 d U
C105 C 0.5340(12) 0.1846(6) 0.8603(6) 0.045(6) Uani 1 1 d U
H10G H 0.5137 0.2100 0.8577 0.067 Uiso 1 1 calc R
H10H H 0.5364 0.1814 0.8889 0.067 Uiso 1 1 calc R
H10I H 0.4956 0.1588 0.8386 0.067 Uiso 1 1 calc R
C106 C 0.6202(14) 0.1900(8) 0.8538(7) 0.047(6) Uani 1 1 d U
C107 C 1.0093(17) 0.0970(9) 0.7792(9) 0.093(9) Uani 1 1 d U
H10J H 1.0676 0.0965 0.7906 0.140 Uiso 1 1 calc R
H10K H 0.9976 0.0937 0.7484 0.140 Uiso 1 1 calc R
H10L H 0.9716 0.0732 0.7840 0.140 Uiso 1 1 calc R
C108 C 0.9953(14) 0.1403(7) 0.8021(7) 0.051(6) Uani 1 1 d U
C109 C 1.1749(14) 0.2695(7) 0.9449(7) 0.069(7) Uani 1 1 d U
H10M H 1.2237 0.2764 0.9342 0.103 Uiso 1 1 calc R
H10N H 1.1812 0.2478 0.9601 0.103 Uiso 1 1 calc R
H10O H 1.1706 0.2958 0.9646 0.103 Uiso 1 1 calc R
C110 C 1.0950(15) 0.2518(7) 0.9072(7) 0.051(6) Uani 1 1 d U
C111 C 0.6770(12) 0.1701(6) 0.7512(6) 0.043(5) Uani 1 1 d U
H11B H 0.6708 0.1617 0.7203 0.065 Uiso 1 1 calc R
H11C H 0.6456 0.1916 0.7582 0.065 Uiso 1 1 calc R
H11D H 0.6552 0.1446 0.7596 0.065 Uiso 1 1 calc R
C112 C 0.7706(13) 0.1894(7) 0.7756(6) 0.038(5) Uani 1 1 d U
C113 C 1.0188(19) 0.3570(9) 1.0583(10) 0.114(11) Uani 1 1 d U
H11E H 1.0013 0.3837 1.0583 0.171 Uiso 1 1 calc R
H11F H 1.0795 0.3626 1.0624 0.171 Uiso 1 1 calc R
H11G H 1.0047 0.3467 1.0817 0.171 Uiso 1 1 calc R
C114 C 0.9709(17) 0.3207(8) 1.0132(9) 0.065(7) Uani 1 1 d U
C115 C 1.0928(12) 0.2638(6) 0.7757(6) 0.045(6) Uani 1 1 d U
H11H H 1.1268 0.2771 0.7597 0.067 Uiso 1 1 calc R
H11I H 1.0829 0.2323 0.7657 0.067 Uiso 1 1 calc R
H11J H 1.1225 0.2742 0.8063 0.067 Uiso 1 1 calc R
C116 C 1.0058(13) 0.2762(7) 0.7682(7) 0.042(5) Uani 1 1 d U
C117 C 0.8551(11) 0.3911(6) 0.9753(6) 0.035(5) Uani 1 1 d U
H11K H 0.7945 0.3787 0.9682 0.052 Uiso 1 1 calc R
H11L H 0.8699 0.4205 0.9946 0.052 Uiso 1 1 calc R
H11M H 0.8849 0.3732 0.9894 0.052 Uiso 1 1 calc R
C118 C 0.8811(13) 0.3922(7) 0.9326(7) 0.047(6) Uani 1 1 d U
C119 C 0.5135(16) 0.2636(8) 0.7939(8) 0.087(8) Uani 1 1 d U
H11N H 0.4841 0.2814 0.8100 0.130 Uiso 1 1 calc R
H11O H 0.5396 0.2471 0.8114 0.130 Uiso 1 1 calc R
H11P H 0.4734 0.2436 0.7676 0.130 Uiso 1 1 calc R
C120 C 0.5815(16) 0.2928(8) 0.7822(8) 0.067(7) Uani 1 1 d U
C121 C 0.7968(12) 0.2298(6) 0.6827(6) 0.048(6) Uani 1 1 d U
H12B H 0.7481 0.2075 0.6626 0.072 Uiso 1 1 calc R
H12C H 0.8268 0.2174 0.7033 0.072 Uiso 1 1 calc R
H12D H 0.8344 0.2406 0.6668 0.072 Uiso 1 1 calc R
C122 C 0.7681(13) 0.2660(7) 0.7058(6) 0.037(5) Uani 1 1 d U
C123 C 0.7247(16) 0.4610(8) 0.8579(8) 0.077(8) Uani 1 1 d U
H23E H 0.7212 0.4833 0.8431 0.115 Uiso 1 1 calc R
H23F H 0.7753 0.4711 0.8822 0.115 Uiso 1 1 calc R
H23G H 0.6751 0.4552 0.8683 0.115 Uiso 1 1 calc R
C124 C 0.7284(15) 0.4187(8) 0.8261(8) 0.059(7) Uani 1 1 d U
C125 C 1.0631(15) 0.5303(7) 0.9043(8) 0.080(8) Uani 1 1 d U
H12E H 1.0755 0.5448 0.8832 0.119 Uiso 1 1 calc R
H12F H 1.1154 0.5334 0.9259 0.119 Uiso 1 1 calc R
H12G H 1.0251 0.5434 0.9183 0.119 Uiso 1 1 calc R
C126 C 1.0203(17) 0.4808(8) 0.8812(8) 0.062(7) Uani 1 1 d U
C127 C 1.1090(12) 0.4928(6) 0.7971(6) 0.043(5) Uani 1 1 d U
H27H H 1.1592 0.4898 0.7877 0.064 Uiso 1 1 calc R
H27I H 1.1001 0.4742 0.8155 0.064 Uiso 1 1 calc R
H27J H 1.1166 0.5230 0.8132 0.064 Uiso 1 1 calc R
C128 C 1.0313(12) 0.4792(6) 0.7572(6) 0.037(5) Uani 1 1 d U
C129 C 1.0542(13) 0.2739(6) 0.6572(7) 0.049(6) Uani 1 1 d U
H12H H 1.1136 0.2891 0.6703 0.074 Uiso 1 1 calc R
H12I H 1.0490 0.2491 0.6329 0.074 Uiso 1 1 calc R
H12J H 1.0309 0.2638 0.6785 0.074 Uiso 1 1 calc R
C130 C 1.0050(13) 0.3055(6) 0.6411(7) 0.040(5) Uani 1 1 d U
C131 C 0.5475(12) 0.3672(7) 0.6899(6) 0.046(6) Uani 1 1 d U
H13B H 0.5565 0.3629 0.7184 0.069 Uiso 1 1 calc R
H13C H 0.4956 0.3468 0.6706 0.069 Uiso 1 1 calc R
H13D H 0.5432 0.3969 0.6919 0.069 Uiso 1 1 calc R
C132 C 0.6226(12) 0.3595(6) 0.6721(6) 0.038(5) Uani 1 1 d U
C133 C 0.6438(12) 0.2601(6) 0.5905(7) 0.047(6) Uani 1 1 d U
H13E H 0.6381 0.2308 0.5729 0.071 Uiso 1 1 calc R
H13F H 0.5982 0.2714 0.5773 0.071 Uiso 1 1 calc R
H13G H 0.6408 0.2595 0.6193 0.071 Uiso 1 1 calc R
C134 C 0.7298(12) 0.2898(6) 0.5935(5) 0.025(4) Uani 1 1 d U
C135 C 0.9360(14) 0.5801(7) 0.6578(7) 0.067(7) Uani 1 1 d U
H13H H 0.9064 0.5802 0.6291 0.101 Uiso 1 1 calc R
H13I H 0.9967 0.5889 0.6619 0.101 Uiso 1 1 calc R
H13J H 0.9203 0.6003 0.6794 0.101 Uiso 1 1 calc R
C136 C 0.9104(15) 0.5313(8) 0.6626(8) 0.057(7) Uani 1 1 d U
C137 C 1.1014(13) 0.4634(7) 0.6371(7) 0.056(6) Uani 1 1 d U
H37K H 1.1538 0.4569 0.6498 0.083 Uiso 1 1 calc R
H37L H 1.0920 0.4874 0.6576 0.083 Uiso 1 1 calc R
H37M H 1.1052 0.4716 0.6111 0.083 Uiso 1 1 calc R
C138 C 1.0276(13) 0.4231(7) 0.6255(7) 0.044(6) Uani 1 1 d U
C139 C 0.9669(11) 0.3130(6) 0.5073(5) 0.028(5) Uani 1 1 d U
H13K H 0.9814 0.3031 0.4805 0.042 Uiso 1 1 calc R
H13L H 0.9773 0.2935 0.5248 0.042 Uiso 1 1 calc R
H13M H 1.0013 0.3423 0.5230 0.042 Uiso 1 1 calc R
C140 C 0.8766(12) 0.3130(6) 0.4976(7) 0.037(5) Uani 1 1 d U
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'
O O 0.0106 0.0060 '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_
_citation_id
_citation_doi
_citation_year
1 10.1039/C9TC04821A 2019
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
O11 Yb1 O2 72.2(4) . .
O11 Yb1 O23 137.7(4) . .
O2 Yb1 O23 136.1(4) . .
O11 Yb1 O17 111.1(4) . .
O2 Yb1 O17 134.2(4) . .
O23 Yb1 O17 73.3(4) . .
O11 Yb1 O99 69.5(4) . .
O2 Yb1 O99 138.6(4) . .
O23 Yb1 O99 71.4(4) . .
O17 Yb1 O99 75.7(4) . .
O11 Yb1 O100 83.2(4) . .
O2 Yb1 O100 89.7(4) . .
O23 Yb1 O100 69.3(4) . .
O17 Yb1 O100 135.9(4) . .
O99 Yb1 O100 70.9(4) . .
O11 Yb1 O18 76.9(4) . .
O2 Yb1 O18 85.3(4) . .
O23 Yb1 O18 126.3(4) . .
O17 Yb1 O18 53.7(4) . .
O99 Yb1 O18 100.6(4) . .
O100 Yb1 O18 160.0(4) . .
O11 Yb1 O15 140.3(4) . .
O2 Yb1 O15 75.5(4) . .
O23 Yb1 O15 82.0(4) . .
O17 Yb1 O15 76.4(4) . .
O99 Yb1 O15 145.8(4) . .
O100 Yb1 O15 119.5(4) . .
O18 Yb1 O15 77.9(4) . .
O11 Yb1 O16 131.0(4) . .
O2 Yb1 O16 68.3(4) . .
O23 Yb1 O16 68.2(4) . .
O17 Yb1 O16 117.0(4) . .
O99 Yb1 O16 130.5(4) . .
O100 Yb1 O16 68.9(4) . .
O18 Yb1 O16 126.1(4) . .
O15 Yb1 O16 50.9(4) . .
O11 Yb1 C62 93.4(5) . .
O2 Yb1 C62 110.7(6) . .
O23 Yb1 C62 100.0(6) . .
O17 Yb1 C62 26.8(5) . .
O99 Yb1 C62 86.9(5) . .
O100 Yb1 C62 157.3(5) . .
O18 Yb1 C62 26.9(5) . .
O15 Yb1 C62 76.8(5) . .
O16 Yb1 C62 127.0(5) . .
O11 Yb1 C58 141.7(5) . .
O2 Yb1 C58 69.5(5) . .
O23 Yb1 C58 74.2(5) . .
O17 Yb1 C58 96.9(5) . .
O99 Yb1 C58 145.6(4) . .
O100 Yb1 C58 94.8(5) . .
O18 Yb1 C58 101.5(5) . .
O15 Yb1 C58 24.9(4) . .
O16 Yb1 C58 26.0(4) . .
C62 Yb1 C58 101.4(6) . .
O11 Yb1 Yb2 95.3(3) . .
O2 Yb1 Yb2 131.5(3) . .
O23 Yb1 Yb2 43.0(3) . .
O17 Yb1 Yb2 94.3(3) . .
O99 Yb1 Yb2 40.7(2) . .
O100 Yb1 Yb2 41.8(3) . .
O18 Yb1 Yb2 138.6(3) . .
O15 Yb1 Yb2 123.6(3) . .
O16 Yb1 Yb2 89.8(3) . .
C62 Yb1 Yb2 116.9(5) . .
C58 Yb1 Yb2 108.6(4) . .
O25 Yb2 O99 87.2(4) . .
O25 Yb2 O100 150.0(4) . .
O99 Yb2 O100 71.6(4) . .
O25 Yb2 O21 76.3(4) . .
O99 Yb2 O21 68.5(4) . .
O100 Yb2 O21 76.3(4) . .
O25 Yb2 O20 136.3(4) . .
O99 Yb2 O20 135.5(4) . .
O100 Yb2 O20 70.3(4) . .
O21 Yb2 O20 122.3(4) . .
O25 Yb2 O19 84.1(4) . .
O99 Yb2 O19 162.3(4) . .
O100 Yb2 O19 121.6(4) . .
O21 Yb2 O19 123.8(4) . .
O20 Yb2 O19 52.3(4) . .
O25 Yb2 O23 125.4(4) . .
O99 Yb2 O23 70.7(4) . .
O100 Yb2 O23 68.0(4) . .
O21 Yb2 O23 132.2(4) . .
O20 Yb2 O23 74.1(4) . .
O19 Yb2 O23 102.1(4) . .
O25 Yb2 O24 77.4(4) . .
O99 Yb2 O24 83.4(4) . .
O100 Yb2 O24 119.3(4) . .
O21 Yb2 O24 142.0(4) . .
O20 Yb2 O24 95.7(4) . .
O19 Yb2 O24 79.7(4) . .
O23 Yb2 O24 51.5(4) . .
O25 Yb2 O115 87.3(4) . .
O99 Yb2 O115 120.2(4) . .
O100 Yb2 O115 85.5(4) . .
O21 Yb2 O115 52.4(4) . .
O20 Yb2 O115 78.9(4) . .
O19 Yb2 O115 74.8(4) . .
O23 Yb2 O115 147.1(4) . .
O24 Yb2 O115 151.5(4) . .
O25 Yb2 C64 101.9(5) . .
O99 Yb2 C64 76.0(5) . .
O100 Yb2 C64 93.5(5) . .
O21 Yb2 C64 144.5(5) . .
O20 Yb2 C64 84.0(5) . .
O19 Yb2 C64 90.7(5) . .
O23 Yb2 C64 25.6(4) . .
O24 Yb2 C64 26.0(5) . .
O115 Yb2 C64 162.2(5) . .
O25 Yb2 C66 81.7(4) . .
O99 Yb2 C66 94.6(4) . .
O100 Yb2 C66 79.2(4) . .
O21 Yb2 C66 26.6(4) . .
O20 Yb2 C66 100.2(4) . .
O19 Yb2 C66 99.3(4) . .
O23 Yb2 C66 146.8(4) . .
O24 Yb2 C66 159.1(4) . .
O115 Yb2 C66 25.8(4) . .
C64 Yb2 C66 169.7(5) . .
O25 Yb2 C60 109.3(5) . .
O99 Yb2 C60 159.2(5) . .
O100 Yb2 C60 96.7(5) . .
O21 Yb2 C60 126.6(5) . .
O20 Yb2 C60 27.0(5) . .
O19 Yb2 C60 25.3(4) . .
O23 Yb2 C60 89.1(5) . .
O24 Yb2 C60 87.9(5) . .
O115 Yb2 C60 74.5(5) . .
C64 Yb2 C60 87.9(5) . .
C66 Yb2 C60 100.1(5) . .
O99 Yb3 O98 118.7(4) . 2_656
O99 Yb3 O21 71.5(4) . .
O98 Yb3 O21 75.1(4) 2_656 .
O99 Yb3 O27 148.7(4) . .
O98 Yb3 O27 78.1(4) 2_656 .
O21 Yb3 O27 89.8(4) . .
O99 Yb3 O95 75.9(4) . .
O98 Yb3 O95 144.9(4) 2_656 .
O21 Yb3 O95 138.5(4) . .
O27 Yb3 O95 106.1(4) . .
O99 Yb3 O11 70.4(4) . .
O98 Yb3 O11 74.6(4) 2_656 .
O21 Yb3 O11 109.4(4) . .
O27 Yb3 O11 140.7(4) . .
O95 Yb3 O11 82.1(4) . .
O99 Yb3 O101 80.7(4) . .
O98 Yb3 O101 137.9(4) 2_656 .
O21 Yb3 O101 77.3(4) . .
O27 Yb3 O101 70.7(4) . .
O95 Yb3 O101 72.7(4) . .
O11 Yb3 O101 145.5(4) . .
O99 Yb3 O1 129.6(4) . .
O98 Yb3 O1 72.9(4) 2_656 .
O21 Yb3 O1 147.6(4) . .
O27 Yb3 O1 79.0(4) . .
O95 Yb3 O1 73.8(4) . .
O11 Yb3 O1 66.3(4) . .
O101 Yb3 O1 125.4(4) . .
O99 Yb3 Yb1 35.8(3) . .
O98 Yb3 Yb1 93.4(3) 2_656 .
O21 Yb3 Yb1 86.3(3) . .
O27 Yb3 Yb1 171.3(3) . .
O95 Yb3 Yb1 81.8(3) . .
O11 Yb3 Yb1 35.3(3) . .
O101 Yb3 Yb1 115.9(3) . .
O1 Yb3 Yb1 100.2(3) . .
O99 Yb3 Yb2 34.7(3) . .
O98 Yb3 Yb2 97.4(3) 2_656 .
O21 Yb3 Yb2 36.9(3) . .
O27 Yb3 Yb2 123.4(3) . .
O95 Yb3 Yb2 107.9(3) . .
O11 Yb3 Yb2 88.0(3) . .
O101 Yb3 Yb2 78.1(3) . .
O1 Yb3 Yb2 154.0(3) . .
Yb1 Yb3 Yb2 55.51(2) . .
O99 Yb3 Yb5 115.2(3) . .
O98 Yb3 Yb5 111.9(3) 2_656 .
O21 Yb3 Yb5 86.0(3) . .
O27 Yb3 Yb5 36.4(3) . .
O95 Yb3 Yb5 85.3(3) . .
O11 Yb3 Yb5 164.5(3) . .
O101 Yb3 Yb5 34.7(3) . .
O1 Yb3 Yb5 101.4(3) . .
Yb1 Yb3 Yb5 150.56(3) . .
Yb2 Yb3 Yb5 104.58(3) . .
O99 Yb3 Yb4 76.3(3) . .
O98 Yb3 Yb4 164.3(3) 2_656 .
O21 Yb3 Yb4 107.9(3) . .
O27 Yb3 Yb4 86.5(3) . .
O95 Yb3 Yb4 38.2(3) . .
O11 Yb3 Yb4 117.3(3) . .
O101 Yb3 Yb4 34.5(2) . .
O1 Yb3 Yb4 101.7(3) . .
Yb1 Yb3 Yb4 102.09(3) . .
Yb2 Yb3 Yb4 93.39(3) . .
Yb5 Yb3 Yb4 53.96(2) . .
O102 Yb4 O4 137.4(5) . .
O102 Yb4 O101 69.2(4) . .
O4 Yb4 O101 91.5(4) . .
O102 Yb4 O32 75.7(4) . .
O4 Yb4 O32 132.8(5) . .
O101 Yb4 O32 135.7(5) . .
O102 Yb4 O22 70.6(4) . .
O4 Yb4 O22 70.1(4) . .
O101 Yb4 O22 84.8(4) . .
O32 Yb4 O22 108.2(4) . .
O102 Yb4 O96 145.2(4) . .
O4 Yb4 O96 77.4(5) . .
O101 Yb4 O96 120.5(4) . .
O32 Yb4 O96 76.8(4) . .
O22 Yb4 O96 139.3(4) . .
O102 Yb4 O31 102.4(4) . .
O4 Yb4 O31 83.1(5) . .
O101 Yb4 O31 160.4(4) . .
O32 Yb4 O31 52.9(5) . .
O22 Yb4 O31 75.6(4) . .
O96 Yb4 O31 76.8(4) . .
O102 Yb4 O33 73.1(4) . .
O4 Yb4 O33 136.2(4) . .
O101 Yb4 O33 69.0(4) . .
O32 Yb4 O33 75.6(5) . .
O22 Yb4 O33 140.9(4) . .
O96 Yb4 O33 79.8(4) . .
O31 Yb4 O33 126.8(5) . .
O102 Yb4 O95 130.9(4) . .
O4 Yb4 O95 69.2(4) . .
O101 Yb4 O95 70.2(4) . .
O32 Yb4 O95 119.1(4) . .
O22 Yb4 O95 131.1(4) . .
O96 Yb4 O95 51.0(4) . .
O31 Yb4 O95 124.2(4) . .
O33 Yb4 O95 67.4(4) . .
O102 Yb4 C74 89.5(5) . .
O4 Yb4 C74 108.0(6) . .
O101 Yb4 C74 158.2(6) . .
O32 Yb4 C74 26.5(5) . .
O22 Yb4 C74 92.5(6) . .
O96 Yb4 C74 74.6(5) . .
O31 Yb4 C74 26.4(5) . .
O33 Yb4 C74 101.2(6) . .
O95 Yb4 C74 125.3(5) . .
O102 Yb4 C72 144.7(5) . .
O4 Yb4 C72 72.0(5) . .
O101 Yb4 C72 96.1(5) . .
O32 Yb4 C72 97.3(5) . .
O22 Yb4 C72 142.2(5) . .
O96 Yb4 C72 24.7(4) . .
O31 Yb4 C72 100.1(5) . .
O33 Yb4 C72 71.7(5) . .
O95 Yb4 C72 26.3(4) . .
C74 Yb4 C72 99.2(6) . .
O102 Yb4 Yb5 39.9(3) . .
O4 Yb4 Yb5 132.8(3) . .
O101 Yb4 Yb5 41.3(3) . .
O32 Yb4 Yb5 94.4(4) . .
O22 Yb4 Yb5 97.2(3) . .
O96 Yb4 Yb5 123.1(3) . .
O31 Yb4 Yb5 139.4(4) . .
O33 Yb4 Yb5 44.2(3) . .
O95 Yb4 Yb5 91.0(3) . .
C74 Yb4 Yb5 118.1(5) . .
C72 Yb4 Yb5 108.3(4) . .
O102 Yb5 O101 69.6(4) . .
O102 Yb5 O35 88.7(4) . .
O101 Yb5 O35 149.8(4) . .
O102 Yb5 O30 69.1(4) . .
O101 Yb5 O30 76.2(4) . .
O35 Yb5 O30 76.6(4) . .
O102 Yb5 O29 120.2(4) . .
O101 Yb5 O29 86.5(4) . .
O35 Yb5 O29 86.9(4) . .
O30 Yb5 O29 51.9(4) . .
O102 Yb5 O28 163.1(4) . .
O101 Yb5 O28 121.7(4) . .
O35 Yb5 O28 84.6(4) . .
O30 Yb5 O28 123.8(4) . .
O29 Yb5 O28 74.9(4) . .
O102 Yb5 O27 133.3(4) . .
O101 Yb5 O27 69.1(4) . .
O35 Yb5 O27 137.4(4) . .
O30 Yb5 O27 119.5(4) . .
O29 Yb5 O27 77.5(4) . .
O28 Yb5 O27 53.2(4) . .
O102 Yb5 O34 84.8(4) . .
O101 Yb5 O34 118.9(4) . .
O35 Yb5 O34 77.8(4) . .
O30 Yb5 O34 143.5(4) . .
O29 Yb5 O34 150.6(4) . .
O28 Yb5 O34 78.7(4) . .
O27 Yb5 O34 97.0(4) . .
O102 Yb5 O33 72.5(4) . .
O101 Yb5 O33 68.4(4) . .
O35 Yb5 O33 125.9(4) . .
O30 Yb5 O33 134.7(4) . .
O29 Yb5 O33 146.5(4) . .
O28 Yb5 O33 99.1(4) . .
O27 Yb5 O33 73.1(4) . .
O34 Yb5 O33 50.9(4) . .
O102 Yb5 C70 156.5(5) . .
O101 Yb5 C70 94.4(5) . .
O35 Yb5 C70 111.9(5) . .
O30 Yb5 C70 125.2(5) . .
O29 Yb5 C70 74.0(5) . .
O28 Yb5 C70 27.5(5) . .
O27 Yb5 C70 25.7(4) . .
O34 Yb5 C70 88.5(5) . .
O33 Yb5 C70 85.8(5) . .
O102 Yb5 C78 94.7(5) . .
O101 Yb5 C78 79.1(4) . .
O35 Yb5 C78 82.3(5) . .
O30 Yb5 C78 26.3(4) . .
O29 Yb5 C78 25.7(4) . .
O28 Yb5 C78 99.7(5) . .
O27 Yb5 C78 97.7(4) . .
O34 Yb5 C78 160.1(5) . .
O33 Yb5 C78 147.4(5) . .
C70 Yb5 C78 99.1(5) . .
O102 Yb5 C76 77.1(5) . .
O101 Yb5 C76 93.7(6) . .
O35 Yb5 C76 101.7(6) . .
O30 Yb5 C76 146.2(5) . .
O29 Yb5 C76 161.2(5) . .
O28 Yb5 C76 89.1(6) . .
O27 Yb5 C76 85.0(5) . .
O34 Yb5 C76 25.3(5) . .
O33 Yb5 C76 25.6(5) . .
C70 Yb5 C76 87.3(6) . .
C78 Yb5 C76 170.7(6) . .
O26 Yb6 O102 116.9(4) . .
O26 Yb6 O39 79.2(4) . .
O102 Yb6 O39 151.9(4) . .
O26 Yb6 O37 145.9(5) . .
O102 Yb6 O37 76.2(4) . .
O39 Yb6 O37 103.9(4) . .
O26 Yb6 O30 76.6(4) . .
O102 Yb6 O30 69.7(4) . .
O39 Yb6 O30 94.0(4) . .
O37 Yb6 O30 135.7(4) . .
O26 Yb6 O103 137.9(4) . .
O102 Yb6 O103 81.6(4) . .
O39 Yb6 O103 72.0(4) . .
O37 Yb6 O103 72.3(4) . .
O30 Yb6 O103 75.6(4) . .
O26 Yb6 O22 73.3(4) . .
O102 Yb6 O22 70.9(4) . .
O39 Yb6 O22 137.2(4) . .
O37 Yb6 O22 83.1(4) . .
O30 Yb6 O22 110.3(4) . .
O103 Yb6 O22 146.8(4) . .
O26 Yb6 O3 74.1(4) . .
O102 Yb6 O3 127.3(4) . .
O39 Yb6 O3 77.9(4) . .
O37 Yb6 O3 73.5(4) . .
O30 Yb6 O3 150.6(4) . .
O103 Yb6 O3 126.5(4) . .
O22 Yb6 O3 63.5(4) . .
O26 Yb6 Yb4 92.9(3) . .
O102 Yb6 Yb4 34.2(3) . .
O39 Yb6 Yb4 172.1(3) . .
O37 Yb6 Yb4 82.1(3) . .
O30 Yb6 Yb4 85.0(3) . .
O103 Yb6 Yb4 115.3(3) . .
O22 Yb6 Yb4 37.3(3) . .
O3 Yb6 Yb4 99.1(3) . .
O26 Yb6 Yb5 98.3(3) . .
O102 Yb6 Yb5 33.6(3) . .
O39 Yb6 Yb5 126.6(3) . .
O37 Yb6 Yb5 105.9(3) . .
O30 Yb6 Yb5 36.1(3) . .
O103 Yb6 Yb5 76.4(3) . .
O22 Yb6 Yb5 89.8(3) . .
O3 Yb6 Yb5 153.2(3) . .
Yb4 Yb6 Yb5 55.09(2) . .
O26 Yb6 Yb8 112.0(3) . .
O102 Yb6 Yb8 117.1(3) . .
O39 Yb6 Yb8 36.5(3) . .
O37 Yb6 Yb8 84.8(3) . .
O30 Yb6 Yb8 86.4(3) . .
O103 Yb6 Yb8 35.7(3) . .
O22 Yb6 Yb8 163.3(3) . .
O3 Yb6 Yb8 101.9(3) . .
Yb4 Yb6 Yb8 150.90(4) . .
Yb5 Yb6 Yb8 104.64(3) . .
O26 Yb6 Yb7 165.1(3) . .
O102 Yb6 Yb7 77.3(3) . .
O39 Yb6 Yb7 86.0(3) . .
O37 Yb6 Yb7 37.6(3) . .
O30 Yb6 Yb7 106.1(3) . .
O103 Yb6 Yb7 34.7(2) . .
O22 Yb6 Yb7 118.1(3) . .
O3 Yb6 Yb7 101.5(3) . .
Yb4 Yb6 Yb7 101.88(3) . .
Yb5 Yb6 Yb7 91.66(3) . .
Yb8 Yb6 Yb7 54.30(2) . .
O6 Yb7 O42 129.8(5) . .
O6 Yb7 O103 87.3(4) . .
O42 Yb7 O103 142.7(4) . .
O6 Yb7 O43 137.3(4) . .
O42 Yb7 O43 81.0(5) . .
O103 Yb7 O43 70.7(4) . .
O6 Yb7 O119 136.5(4) . .
O42 Yb7 O119 76.8(4) . .
O103 Yb7 O119 71.3(3) . .
O43 Yb7 O119 71.0(4) . .
O6 Yb7 O116 72.4(4) . .
O42 Yb7 O116 100.5(5) . .
O103 Yb7 O116 85.7(4) . .
O43 Yb7 O116 138.0(4) . .
O119 Yb7 O116 68.6(4) . .
O6 Yb7 O41 76.3(4) . .
O42 Yb7 O41 54.3(5) . .
O103 Yb7 O41 157.9(4) . .
O43 Yb7 O41 131.3(4) . .
O119 Yb7 O41 110.8(4) . .
O116 Yb7 O41 75.3(4) . .
O6 Yb7 O38 80.4(4) . .
O42 Yb7 O38 76.8(5) . .
O103 Yb7 O38 119.7(4) . .
O43 Yb7 O38 79.8(4) . .
O119 Yb7 O38 143.1(4) . .
O116 Yb7 O38 141.9(4) . .
O41 Yb7 O38 72.7(4) . .
O6 Yb7 O37 69.8(4) . .
O42 Yb7 O37 121.9(4) . .
O103 Yb7 O37 69.6(4) . .
O43 Yb7 O37 68.4(4) . .
O119 Yb7 O37 130.6(4) . .
O116 Yb7 O37 135.3(4) . .
O41 Yb7 O37 116.8(4) . .
O38 Yb7 O37 50.6(4) . .
O6 Yb7 C84 101.8(7) . .
O42 Yb7 C84 28.1(6) . .
O103 Yb7 C84 168.0(6) . .
O43 Yb7 C84 106.2(7) . .
O119 Yb7 C84 96.7(6) . .
O116 Yb7 C84 89.8(6) . .
O41 Yb7 C84 26.5(6) . .
O38 Yb7 C84 70.0(6) . .
O37 Yb7 C84 120.6(6) . .
O6 Yb7 C80 75.8(6) . .
O42 Yb7 C80 97.7(6) . .
O103 Yb7 C80 95.3(6) . .
O43 Yb7 C80 70.6(5) . .
O119 Yb7 C80 141.6(6) . .
O116 Yb7 C80 148.2(5) . .
O41 Yb7 C80 95.0(6) . .
O38 Yb7 C80 24.4(5) . .
O37 Yb7 C80 26.4(5) . .
C84 Yb7 C80 94.3(7) . .
O6 Yb7 Yb8 129.2(3) . .
O42 Yb7 Yb8 100.7(4) . .
O103 Yb7 Yb8 42.0(2) . .
O43 Yb7 Yb8 43.8(3) . .
O119 Yb7 Yb8 40.7(3) . .
O116 Yb7 Yb8 95.8(3) . .
O41 Yb7 Yb8 149.8(3) . .
O38 Yb7 Yb8 122.2(3) . .
O37 Yb7 Yb8 90.0(3) . .
C84 Yb7 Yb8 128.0(6) . .
C80 Yb7 Yb8 106.1(5) . .
O55 Yb8 O119 87.6(4) . .
O55 Yb8 O40 84.5(5) . .
O119 Yb8 O40 161.1(4) . .
O55 Yb8 O103 148.9(4) . .
O119 Yb8 O103 71.5(4) . .
O40 Yb8 O103 121.9(4) . .
O55 Yb8 O46 74.9(4) . .
O119 Yb8 O46 68.6(4) . .
O40 Yb8 O46 125.1(4) . .
O103 Yb8 O46 76.2(3) . .
O55 Yb8 O39 137.3(4) . .
O119 Yb8 O39 133.9(4) . .
O40 Yb8 O39 53.1(4) . .
O103 Yb8 O39 70.0(4) . .
O46 Yb8 O39 123.5(4) . .
O55 Yb8 O45 86.7(4) . .
O119 Yb8 O45 120.2(4) . .
O40 Yb8 O45 76.4(5) . .
O103 Yb8 O45 84.5(4) . .
O46 Yb8 O45 52.5(4) . .
O39 Yb8 O45 80.0(4) . .
O55 Yb8 O44 78.5(4) . .
O119 Yb8 O44 82.3(4) . .
O40 Yb8 O44 79.4(5) . .
O103 Yb8 O44 119.4(4) . .
O46 Yb8 O44 140.9(4) . .
O39 Yb8 O44 95.5(4) . .
O45 Yb8 O44 152.7(4) . .
O55 Yb8 O43 126.0(4) . .
O119 Yb8 O43 69.9(4) . .
O40 Yb8 O43 101.3(5) . .
O103 Yb8 O43 68.7(4) . .
O46 Yb8 O43 132.0(4) . .
O39 Yb8 O43 73.3(4) . .
O45 Yb8 O43 147.1(4) . .
O44 Yb8 O43 51.0(4) . .
O55 Yb8 C88 81.6(5) . .
O119 Yb8 C88 95.5(5) . .
O40 Yb8 C88 100.2(5) . .
O103 Yb8 C88 77.9(4) . .
O46 Yb8 C88 27.7(5) . .
O39 Yb8 C88 100.1(5) . .
O45 Yb8 C88 24.9(4) . .
O44 Yb8 C88 160.1(5) . .
O43 Yb8 C88 146.3(5) . .
O55 Yb8 C86 111.1(5) . .
O119 Yb8 C86 157.8(5) . .
O40 Yb8 C86 27.0(5) . .
O103 Yb8 C86 95.2(5) . .
O46 Yb8 C86 126.7(5) . .
O39 Yb8 C86 26.3(5) . .
O45 Yb8 C86 74.5(5) . .
O44 Yb8 C86 89.5(5) . .
O43 Yb8 C86 88.8(5) . .
C88 Yb8 C86 99.1(6) . .
O55 Yb8 C90 101.7(5) . .
O119 Yb8 C90 74.2(5) . .
O40 Yb8 C90 90.6(5) . .
O103 Yb8 C90 94.6(5) . .
O46 Yb8 C90 142.8(5) . .
O39 Yb8 C90 84.6(5) . .
O45 Yb8 C90 163.9(6) . .
O44 Yb8 C90 24.9(5) . .
O43 Yb8 C90 26.1(5) . .
C88 Yb8 C90 168.9(6) . .
C86 Yb8 C90 89.6(6) . .
O49 Yb9 O119 151.7(4) . .
O49 Yb9 O46 92.7(4) . .
O119 Yb9 O46 71.6(4) . .
O49 Yb9 O36 79.5(4) . .
O119 Yb9 O36 117.6(4) . .
O46 Yb9 O36 77.0(4) . .
O49 Yb9 O116 137.6(4) . .
O119 Yb9 O116 70.6(4) . .
O46 Yb9 O116 111.2(4) . .
O36 Yb9 O116 72.9(4) . .
O49 Yb9 O47 104.3(4) . .
O119 Yb9 O47 74.5(4) . .
O46 Yb9 O47 135.3(4) . .
O36 Yb9 O47 146.1(4) . .
O116 Yb9 O47 83.3(4) . .
O49 Yb9 O105 72.1(4) . .
O119 Yb9 O105 81.0(4) . .
O46 Yb9 O105 74.9(4) . .
O36 Yb9 O105 138.6(3) . .
O116 Yb9 O105 146.4(4) . .
O47 Yb9 O105 71.7(4) . .
O49 Yb9 O5 78.6(4) . .
O119 Yb9 O5 126.0(4) . .
O46 Yb9 O5 151.4(4) . .
O36 Yb9 O5 74.7(4) . .
O116 Yb9 O5 63.6(4) . .
O47 Yb9 O5 73.2(4) . .
O105 Yb9 O5 126.1(4) . .
O49 Yb9 Yb7 170.5(3) . .
O119 Yb9 Yb7 35.6(2) . .
O46 Yb9 Yb7 85.9(3) . .
O36 Yb9 Yb7 91.0(3) . .
O116 Yb9 Yb7 36.2(3) . .
O47 Yb9 Yb7 83.2(3) . .
O105 Yb9 Yb7 116.4(3) . .
O5 Yb9 Yb7 98.3(3) . .
O49 Yb9 Yb8 126.4(3) . .
O119 Yb9 Yb8 34.6(3) . .
O46 Yb9 Yb8 37.0(3) . .
O36 Yb9 Yb8 98.4(3) . .
O116 Yb9 Yb8 89.6(3) . .
O47 Yb9 Yb8 105.3(3) . .
O105 Yb9 Yb8 76.3(3) . .
O5 Yb9 Yb8 153.2(3) . .
Yb7 Yb9 Yb8 55.40(3) . .
O49 Yb9 Yb11 36.0(3) . .
O119 Yb9 Yb11 117.4(2) . .
O46 Yb9 Yb11 85.9(3) . .
O36 Yb9 Yb11 112.3(3) . .
O116 Yb9 Yb11 162.9(3) . .
O47 Yb9 Yb11 84.6(3) . .
O105 Yb9 Yb11 36.4(3) . .
O5 Yb9 Yb11 101.3(3) . .
Yb7 Yb9 Yb11 152.82(4) . .
Yb8 Yb9 Yb11 105.32(3) . .
O49 Yb9 Yb10 85.4(3) . .
O119 Yb9 Yb10 77.5(3) . .
O46 Yb9 Yb10 107.0(3) . .
O36 Yb9 Yb10 164.6(3) . .
O116 Yb9 Yb10 117.7(3) . .
O47 Yb9 Yb10 36.4(3) . .
O105 Yb9 Yb10 35.5(2) . .
O5 Yb9 Yb10 99.4(3) . .
Yb7 Yb9 Yb10 104.06(3) . .
Yb8 Yb9 Yb10 93.05(3) . .
Yb11 Yb9 Yb10 54.24(2) . .
O106 Yb10 O8 135.6(4) . .
O106 Yb10 O56 67.9(4) . .
O8 Yb10 O56 71.6(4) . .
O106 Yb10 O51 73.7(4) . .
O8 Yb10 O51 137.1(4) . .
O56 Yb10 O51 107.2(4) . .
O106 Yb10 O53 71.7(4) . .
O8 Yb10 O53 137.1(5) . .
O56 Yb10 O53 137.2(4) . .
O51 Yb10 O53 73.6(5) . .
O106 Yb10 O105 69.6(4) . .
O8 Yb10 O105 87.6(4) . .
O56 Yb10 O105 81.8(4) . .
O51 Yb10 O105 135.3(4) . .
O53 Yb10 O105 71.3(4) . .
O106 Yb10 O48 146.7(5) . .
O8 Yb10 O48 77.8(5) . .
O56 Yb10 O48 140.7(4) . .
O51 Yb10 O48 79.3(4) . .
O53 Yb10 O48 82.1(4) . .
O105 Yb10 O48 121.3(4) . .
O106 Yb10 O52 99.8(4) . .
O8 Yb10 O52 86.0(5) . .
O56 Yb10 O52 74.6(4) . .
O51 Yb10 O52 54.2(5) . .
O53 Yb10 O52 126.8(5) . .
O105 Yb10 O52 156.3(4) . .
O48 Yb10 O52 79.4(4) . .
O106 Yb10 O47 130.5(4) . .
O8 Yb10 O47 68.4(4) . .
O56 Yb10 O47 131.0(4) . .
O51 Yb10 O47 121.2(4) . .
O53 Yb10 O47 69.4(4) . .
O105 Yb10 O47 69.7(4) . .
O48 Yb10 O47 52.0(4) . .
O52 Yb10 O47 128.0(4) . .
O106 Yb10 C102 84.5(5) . .
O8 Yb10 C102 113.2(6) . .
O56 Yb10 C102 90.1(5) . .
O51 Yb10 C102 26.3(5) . .
O53 Yb10 C102 99.7(6) . .
O105 Yb10 C102 154.1(5) . .
O48 Yb10 C102 79.8(5) . .
O52 Yb10 C102 28.1(5) . .
O47 Yb10 C102 131.1(5) . .
O106 Yb10 C92 145.5(5) . .
O8 Yb10 C92 71.2(5) . .
O56 Yb10 C92 142.7(5) . .
O51 Yb10 C92 100.8(5) . .
O53 Yb10 C92 74.0(5) . .
O105 Yb10 C92 95.3(4) . .
O48 Yb10 C92 26.2(4) . .
O52 Yb10 C92 104.1(5) . .
O47 Yb10 C92 25.8(4) . .
C102 Yb10 C92 105.7(5) . .
O106 Yb10 Yb11 40.2(3) . .
O8 Yb10 Yb11 130.0(3) . .
O56 Yb10 Yb11 94.5(3) . .
O51 Yb10 Yb11 92.9(3) . .
O53 Yb10 Yb11 43.6(3) . .
O105 Yb10 Yb11 42.4(3) . .
O48 Yb10 Yb11 124.3(3) . .
O52 Yb10 Yb11 137.6(4) . .
O47 Yb10 Yb11 90.3(3) . .
C102 Yb10 Yb11 114.6(5) . .
C92 Yb10 Yb11 108.3(4) . .
O59 Yb11 O106 89.4(4) . .
O59 Yb11 O105 148.9(4) . .
O106 Yb11 O105 69.6(4) . .
O59 Yb11 O58 74.9(4) . .
O106 Yb11 O58 69.7(4) . .
O105 Yb11 O58 76.3(4) . .
O59 Yb11 O57 86.5(4) . .
O106 Yb11 O57 121.0(4) . .
O105 Yb11 O57 85.3(4) . .
O58 Yb11 O57 52.4(4) . .
O59 Yb11 O49 138.0(4) . .
O106 Yb11 O49 131.7(4) . .
O105 Yb11 O49 69.2(4) . .
O58 Yb11 O49 122.2(4) . .
O57 Yb11 O49 79.2(4) . .
O59 Yb11 O50 85.8(4) . .
O106 Yb11 O50 164.1(5) . .
O105 Yb11 O50 120.3(4) . .
O58 Yb11 O50 123.2(4) . .
O57 Yb11 O50 73.9(5) . .
O49 Yb11 O50 52.4(4) . .
O59 Yb11 O53 125.1(4) . .
O106 Yb11 O53 70.3(4) . .
O105 Yb11 O53 70.3(4) . .
O58 Yb11 O53 134.6(4) . .
O57 Yb11 O53 147.9(4) . .
O49 Yb11 O53 72.9(4) . .
O50 Yb11 O53 100.3(4) . .
O59 Yb11 O54 77.1(4) . .
O106 Yb11 O54 83.8(4) . .
O105 Yb11 O54 120.9(4) . .
O58 Yb11 O54 141.2(4) . .
O57 Yb11 O54 150.4(4) . .
O49 Yb11 O54 96.6(4) . .
O50 Yb11 O54 80.4(4) . .
O53 Yb11 O54 51.1(4) . .
O59 Yb11 C94 110.6(6) . .
O106 Yb11 C94 158.1(5) . .
O105 Yb11 C94 95.0(6) . .
O58 Yb11 C94 123.1(5) . .
O57 Yb11 C94 71.0(5) . .
O49 Yb11 C94 27.5(5) . .
O50 Yb11 C94 25.4(5) . .
O53 Yb11 C94 90.1(5) . .
O54 Yb11 C94 91.6(5) . .
O59 Yb11 C98 82.8(5) . .
O106 Yb11 C98 94.7(5) . .
O105 Yb11 C98 76.6(4) . .
O58 Yb11 C98 26.4(4) . .
O57 Yb11 C98 26.4(4) . .
O49 Yb11 C98 99.3(5) . .
O50 Yb11 C98 99.7(5) . .
O53 Yb11 C98 146.6(5) . .
O54 Yb11 C98 159.9(4) . .
C94 Yb11 C98 96.7(6) . .
O59 Yb11 C100 100.9(6) . .
O106 Yb11 C100 77.6(5) . .
O105 Yb11 C100 96.7(6) . .
O58 Yb11 C100 147.0(5) . .
O57 Yb11 C100 160.4(5) . .
O49 Yb11 C100 83.2(5) . .
O50 Yb11 C100 88.5(6) . .
O53 Yb11 C100 26.5(5) . .
O54 Yb11 C100 24.7(5) . .
C94 Yb11 C100 89.3(6) . .
C98 Yb11 C100 171.3(6) . .
O106 Yb12 O117 117.3(4) . .
O106 Yb12 O56 69.0(4) . .
O117 Yb12 O56 74.9(4) . .
O106 Yb12 O63 75.8(4) . .
O117 Yb12 O63 147.0(4) . .
O56 Yb12 O63 83.4(4) . .
O106 Yb12 O58 71.5(4) . .
O117 Yb12 O58 77.4(4) . .
O56 Yb12 O58 112.0(4) . .
O63 Yb12 O58 134.7(4) . .
O106 Yb12 O61 152.3(4) . .
O117 Yb12 O61 78.5(4) . .
O56 Yb12 O61 138.7(5) . .
O63 Yb12 O61 103.7(4) . .
O58 Yb12 O61 91.8(4) . .
O106 Yb12 O107 81.9(4) . .
O117 Yb12 O107 137.9(4) . .
O56 Yb12 O107 145.2(4) . .
O63 Yb12 O107 70.9(4) . .
O58 Yb12 O107 74.2(4) . .
O61 Yb12 O107 72.1(4) . .
O106 Yb12 O7 127.4(4) . .
O117 Yb12 O7 74.0(4) . .
O56 Yb12 O7 65.4(4) . .
O63 Yb12 O7 74.5(4) . .
O58 Yb12 O7 150.8(4) . .
O61 Yb12 O7 77.3(4) . .
O107 Yb12 O7 125.8(4) . .
O106 Yb12 C31 88.8(5) . .
O117 Yb12 C31 65.0(5) . .
O56 Yb12 C31 19.9(5) . .
O63 Yb12 C31 86.3(5) . .
O58 Yb12 C31 122.8(5) . .
O61 Yb12 C31 118.9(5) . .
O107 Yb12 C31 156.8(4) . .
O7 Yb12 C31 47.2(5) . .
O106 Yb12 Yb11 34.6(3) . .
O117 Yb12 Yb11 98.0(3) . .
O56 Yb12 Yb11 88.7(3) . .
O63 Yb12 Yb11 106.1(3) . .
O58 Yb12 Yb11 37.0(3) . .
O61 Yb12 Yb11 126.1(3) . .
O107 Yb12 Yb11 76.8(3) . .
O7 Yb12 Yb11 154.0(3) . .
C31 Yb12 Yb11 106.8(4) . .
O106 Yb12 Yb10 34.1(3) . .
O117 Yb12 Yb10 93.2(3) . .
O56 Yb12 Yb10 35.7(3) . .
O63 Yb12 Yb10 82.8(3) . .
O58 Yb12 Yb10 87.1(3) . .
O61 Yb12 Yb10 171.6(3) . .
O107 Yb12 Yb10 115.4(2) . .
O7 Yb12 Yb10 99.7(3) . .
C31 Yb12 Yb10 55.6(4) . .
Yb11 Yb12 Yb10 55.38(2) . .
O106 Yb12 Yb14 117.6(3) . .
O117 Yb12 Yb14 111.3(3) . .
O56 Yb12 Yb14 164.0(3) . .
O63 Yb12 Yb14 84.3(3) . .
O58 Yb12 Yb14 83.9(3) . .
O61 Yb12 Yb14 36.4(3) . .
O107 Yb12 Yb14 35.8(2) . .
O7 Yb12 Yb14 101.4(3) . .
C31 Yb12 Yb14 148.6(4) . .
Yb11 Yb12 Yb14 104.56(3) . .
Yb10 Yb12 Yb14 151.27(4) . .
O107 Yb13 O10 85.4(4) . .
O107 Yb13 O114 85.9(4) . .
O10 Yb13 O114 72.9(4) . .
O107 Yb13 O69 145.3(5) . .
O10 Yb13 O69 128.5(5) . .
O114 Yb13 O69 96.6(4) . .
O107 Yb13 O108 70.5(4) . .
O10 Yb13 O108 135.7(4) . .
O114 Yb13 O108 69.0(4) . .
O69 Yb13 O108 78.2(4) . .
O107 Yb13 O68 71.9(4) . .
O10 Yb13 O68 136.2(4) . .
O114 Yb13 O68 138.9(4) . .
O69 Yb13 O68 84.4(5) . .
O108 Yb13 O68 71.0(4) . .
O107 Yb13 O64 120.1(4) . .
O10 Yb13 O64 83.6(4) . .
O114 Yb13 O64 143.5(4) . .
O69 Yb13 O64 76.6(4) . .
O108 Yb13 O64 140.6(4) . .
O68 Yb13 O64 76.8(4) . .
O107 Yb13 O70 155.1(5) . .
O10 Yb13 O70 74.4(5) . .
O114 Yb13 O70 74.5(5) . .
O69 Yb13 O70 54.4(5) . .
O108 Yb13 O70 114.7(5) . .
O68 Yb13 O70 133.0(5) . .
O64 Yb13 O70 72.6(5) . .
O107 Yb13 O63 69.3(4) . .
O10 Yb13 O63 69.2(4) . .
O114 Yb13 O63 135.8(4) . .
O69 Yb13 O63 124.8(4) . .
O108 Yb13 O63 129.2(4) . .
O68 Yb13 O63 67.9(4) . .
O64 Yb13 O63 51.7(4) . .
O70 Yb13 O63 114.9(5) . .
O107 Yb13 C114 167.5(6) . .
O10 Yb13 C114 99.8(7) . .
O114 Yb13 C114 84.7(6) . .
O69 Yb13 C114 28.9(6) . .
O108 Yb13 C114 98.3(6) . .
O68 Yb13 C114 110.5(7) . .
O64 Yb13 C114 72.1(6) . .
O70 Yb13 C114 25.5(6) . .
O63 Yb13 C114 123.2(6) . .
O107 Yb13 C104 95.2(5) . .
O10 Yb13 C104 77.7(5) . .
O114 Yb13 C104 150.4(5) . .
O69 Yb13 C104 99.0(5) . .
O108 Yb13 C104 139.0(5) . .
O68 Yb13 C104 68.0(5) . .
O64 Yb13 C104 25.0(5) . .
O70 Yb13 C104 94.5(6) . .
O63 Yb13 C104 26.9(5) . .
C114 Yb13 C104 97.1(7) . .
O107 Yb13 Yb14 41.5(3) . .
O10 Yb13 Yb14 126.8(3) . .
O114 Yb13 Yb14 96.2(3) . .
O69 Yb13 Yb14 104.0(4) . .
O108 Yb13 Yb14 40.3(3) . .
O68 Yb13 Yb14 44.8(3) . .
O64 Yb13 Yb14 120.3(3) . .
O70 Yb13 Yb14 153.9(4) . .
O63 Yb13 Yb14 88.9(3) . .
C114 Yb13 Yb14 131.6(6) . .
C104 Yb13 Yb14 104.2(5) . .
O108 Yb14 O81 88.3(4) . .
O108 Yb14 O107 70.8(4) . .
O81 Yb14 O107 148.5(4) . .
O108 Yb14 O66 69.0(4) . .
O81 Yb14 O66 75.8(4) . .
O107 Yb14 O66 74.9(4) . .
O108 Yb14 O61 135.7(4) . .
O81 Yb14 O61 135.3(4) . .
O107 Yb14 O61 71.6(4) . .
O66 Yb14 O61 121.4(4) . .
O108 Yb14 O65 120.2(4) . .
O81 Yb14 O65 86.0(4) . .
O107 Yb14 O65 84.8(4) . .
O66 Yb14 O65 51.9(4) . .
O61 Yb14 O65 78.3(4) . .
O108 Yb14 O67 83.6(4) . .
O81 Yb14 O67 78.5(4) . .
O107 Yb14 O67 120.4(4) . .
O66 Yb14 O67 142.5(4) . .
O61 Yb14 O67 96.0(4) . .
O65 Yb14 O67 151.4(4) . .
O108 Yb14 O62 161.7(4) . .
O81 Yb14 O62 84.1(4) . .
O107 Yb14 O62 122.3(4) . .
O66 Yb14 O62 124.6(4) . .
O61 Yb14 O62 51.6(4) . .
O65 Yb14 O62 76.0(5) . .
O67 Yb14 O62 78.6(5) . .
O108 Yb14 O68 70.4(4) . .
O81 Yb14 O68 126.4(4) . .
O107 Yb14 O68 69.3(4) . .
O66 Yb14 O68 132.5(4) . .
O61 Yb14 O68 75.1(4) . .
O65 Yb14 O68 147.4(4) . .
O67 Yb14 O68 51.4(4) . .
O62 Yb14 O68 101.0(4) . .
O108 Yb14 C112 95.4(5) . .
O81 Yb14 C112 81.4(4) . .
O107 Yb14 C112 77.6(4) . .
O66 Yb14 C112 27.0(5) . .
O61 Yb14 C112 98.6(5) . .
O65 Yb14 C112 25.0(5) . .
O67 Yb14 C112 159.9(5) . .
O62 Yb14 C112 99.9(6) . .
O68 Yb14 C112 146.6(5) . .
O108 Yb14 C108 160.4(5) . .
O81 Yb14 C108 108.4(5) . .
O107 Yb14 C108 97.3(5) . .
O66 Yb14 C108 124.0(5) . .
O61 Yb14 C108 26.9(5) . .
O65 Yb14 C108 72.4(5) . .
O67 Yb14 C108 89.8(5) . .
O62 Yb14 C108 25.1(5) . .
O68 Yb14 C108 91.1(5) . .
C112 Yb14 C108 97.0(6) . .
O108 Yb14 C110 75.9(5) . .
O81 Yb14 C110 103.0(5) . .
O107 Yb14 C110 94.6(5) . .
O66 Yb14 C110 144.9(5) . .
O61 Yb14 C110 84.7(5) . .
O65 Yb14 C110 162.2(5) . .
O67 Yb14 C110 26.0(5) . .
O62 Yb14 C110 89.6(6) . .
O68 Yb14 C110 25.5(4) . .
C112 Yb14 C110 170.0(6) . .
C108 Yb14 C110 90.1(6) . .
O108 Yb15 O60 118.1(4) . .
O108 Yb15 O66 71.6(4) . .
O60 Yb15 O66 76.2(4) . .
O108 Yb15 O71 75.5(4) . .
O60 Yb15 O71 149.1(4) . .
O66 Yb15 O71 134.0(4) . .
O108 Yb15 O109 83.4(4) . .
O60 Yb15 O109 136.1(4) . .
O66 Yb15 O109 75.7(4) . .
O71 Yb15 O109 69.4(4) . .
O108 Yb15 O114 70.3(4) . .
O60 Yb15 O114 73.9(4) . .
O66 Yb15 O114 110.6(4) . .
O71 Yb15 O114 86.7(4) . .
O109 Yb15 O114 148.4(4) . .
O108 Yb15 O73 152.2(4) . .
O60 Yb15 O73 80.1(4) . .
O66 Yb15 O73 94.9(4) . .
O71 Yb15 O73 99.8(4) . .
O109 Yb15 O73 69.5(4) . .
O114 Yb15 O73 137.3(4) . .
O108 Yb15 O9 124.6(4) . .
O60 Yb15 O9 77.1(4) . .
O66 Yb15 O9 153.2(4) . .
O71 Yb15 O9 72.7(4) . .
O109 Yb15 O9 123.8(4) . .
O114 Yb15 O9 63.8(4) . .
O73 Yb15 O9 77.9(4) . .
O108 Yb15 Yb14 34.3(3) . .
O60 Yb15 Yb14 98.7(3) . .
O66 Yb15 Yb14 37.3(3) . .
O71 Yb15 Yb14 105.0(3) . .
O109 Yb15 Yb14 77.9(3) . .
O114 Yb15 Yb14 89.2(3) . .
O73 Yb15 Yb14 128.3(3) . .
O9 Yb15 Yb14 152.8(3) . .
O108 Yb15 Yb13 36.1(3) . .
O60 Yb15 Yb13 91.1(3) . .
O66 Yb15 Yb13 85.5(3) . .
O71 Yb15 Yb13 86.4(3) . .
O109 Yb15 Yb13 119.4(3) . .
O114 Yb15 Yb13 35.5(3) . .
O73 Yb15 Yb13 170.8(3) . .
O9 Yb15 Yb13 97.6(3) . .
Yb14 Yb15 Yb13 55.36(3) . .
O108 Yb15 Yb17 118.0(3) . .
O60 Yb15 Yb17 109.8(3) . .
O66 Yb15 Yb17 84.8(3) . .
O71 Yb15 Yb17 83.2(3) . .
O109 Yb15 Yb17 34.8(3) . .
O114 Yb15 Yb17 164.5(3) . .
O73 Yb15 Yb17 34.8(3) . .
O9 Yb15 Yb17 101.8(3) . .
Yb14 Yb15 Yb17 104.78(3) . .
Yb13 Yb15 Yb17 154.09(4) . .
O108 Yb15 Yb16 77.3(3) . .
O60 Yb15 Yb16 163.2(3) . .
O66 Yb15 Yb16 104.7(3) . .
O71 Yb15 Yb16 36.0(3) . .
O109 Yb15 Yb16 33.5(3) . .
O114 Yb15 Yb16 120.0(3) . .
O73 Yb15 Yb16 83.1(3) . .
O9 Yb15 Yb16 100.0(3) . .
Yb14 Yb15 Yb16 91.16(3) . .
Yb13 Yb15 Yb16 105.70(3) . .
Yb17 Yb15 Yb16 54.21(2) . .
O118 Yb16 O12 71.6(4) . .
O118 Yb16 O109 86.5(4) . .
O12 Yb16 O109 86.4(4) . .
O118 Yb16 O110 68.5(4) . .
O12 Yb16 O110 135.3(4) . .
O109 Yb16 O110 72.0(4) . .
O118 Yb16 O78 138.1(4) . .
O12 Yb16 O78 137.5(4) . .
O109 Yb16 O78 70.4(4) . .
O110 Yb16 O78 71.3(4) . .
O118 Yb16 O80 76.1(5) . .
O12 Yb16 O80 75.0(5) . .
O109 Yb16 O80 157.7(5) . .
O110 Yb16 O80 113.0(4) . .
O78 Yb16 O80 131.9(5) . .
O118 Yb16 O72 142.1(4) . .
O12 Yb16 O72 81.2(4) . .
O109 Yb16 O72 118.2(4) . .
O110 Yb16 O72 143.5(4) . .
O78 Yb16 O72 79.5(4) . .
O80 Yb16 O72 71.6(5) . .
O118 Yb16 O79 98.7(4) . .
O12 Yb16 O79 128.6(4) . .
O109 Yb16 O79 144.6(4) . .
O110 Yb16 O79 77.4(4) . .
O78 Yb16 O79 83.3(5) . .
O80 Yb16 O79 53.9(5) . .
O72 Yb16 O79 77.9(4) . .
O118 Yb16 O71 133.5(4) . .
O12 Yb16 O71 69.7(4) . .
O109 Yb16 O71 66.5(4) . .
O110 Yb16 O71 129.4(4) . .
O78 Yb16 O71 68.5(4) . .
O80 Yb16 O71 116.4(5) . .
O72 Yb16 O71 52.4(4) . .
O79 Yb16 O71 125.5(4) . .
O118 Yb16 C126 87.0(6) . .
O12 Yb16 C126 99.7(6) . .
O109 Yb16 C126 169.2(5) . .
O110 Yb16 C126 97.6(6) . .
O78 Yb16 C126 109.5(7) . .
O80 Yb16 C126 24.9(5) . .
O72 Yb16 C126 71.8(6) . .
O79 Yb16 C126 29.0(6) . .
O71 Yb16 C126 123.9(6) . .
O118 Yb16 C118 144.1(5) . .
O12 Yb16 C118 72.6(5) . .
O109 Yb16 C118 93.3(5) . .
O110 Yb16 C118 144.9(5) . .
O78 Yb16 C118 73.8(5) . .
O80 Yb16 C118 92.8(6) . .
O72 Yb16 C118 25.6(4) . .
O79 Yb16 C118 101.9(5) . .
O71 Yb16 C118 26.9(5) . .
C126 Yb16 C118 97.0(6) . .
O118 Yb16 Yb17 95.3(3) . .
O12 Yb16 Yb17 127.4(3) . .
O109 Yb16 Yb17 41.3(2) . .
O110 Yb16 Yb17 41.0(3) . .
O78 Yb16 Yb17 44.7(3) . .
O80 Yb16 Yb17 152.7(4) . .
O72 Yb16 Yb17 122.5(3) . .
O79 Yb16 Yb17 103.3(3) . .
O71 Yb16 Yb17 88.5(3) . .
C126 Yb16 Yb17 131.1(5) . .
C118 Yb16 Yb17 108.0(4) . .
O83 Yb17 O110 89.4(4) . .
O83 Yb17 O73 136.0(4) . .
O110 Yb17 O73 133.5(4) . .
O83 Yb17 O109 150.3(4) . .
O110 Yb17 O109 72.2(4) . .
O73 Yb17 O109 69.2(4) . .
O83 Yb17 O75 86.6(4) . .
O110 Yb17 O75 121.0(4) . .
O73 Yb17 O75 79.4(4) . .
O109 Yb17 O75 83.5(4) . .
O83 Yb17 O74 83.9(4) . .
O110 Yb17 O74 161.3(5) . .
O73 Yb17 O74 52.3(4) . .
O109 Yb17 O74 120.3(4) . .
O75 Yb17 O74 76.1(5) . .
O83 Yb17 O77 78.9(4) . .
O110 Yb17 O77 82.7(4) . .
O73 Yb17 O77 94.8(4) . .
O109 Yb17 O77 120.0(4) . .
O75 Yb17 O77 152.2(4) . .
O74 Yb17 O77 78.9(5) . .
O83 Yb17 O76 75.3(4) . .
O110 Yb17 O76 70.1(4) . .
O73 Yb17 O76 122.9(4) . .
O109 Yb17 O76 76.6(4) . .
O75 Yb17 O76 52.0(4) . .
O74 Yb17 O76 124.3(4) . .
O77 Yb17 O76 142.2(4) . .
O83 Yb17 O78 127.6(4) . .
O110 Yb17 O78 69.3(4) . .
O73 Yb17 O78 72.8(4) . .
O109 Yb17 O78 68.1(4) . .
O75 Yb17 O78 145.6(4) . .
O74 Yb17 O78 101.3(4) . .
O77 Yb17 O78 52.1(4) . .
O76 Yb17 O78 132.3(4) . .
O83 Yb17 C124 103.1(5) . .
O110 Yb17 C124 73.5(6) . .
O73 Yb17 C124 84.1(5) . .
O109 Yb17 C124 94.0(5) . .
O75 Yb17 C124 163.1(5) . .
O74 Yb17 C124 91.0(6) . .
O77 Yb17 C124 26.1(5) . .
O76 Yb17 C124 143.6(5) . .
O78 Yb17 C124 26.1(5) . .
O83 Yb17 C122 81.0(4) . .
O110 Yb17 C122 96.5(5) . .
O73 Yb17 C122 100.2(5) . .
O109 Yb17 C122 78.3(4) . .
O75 Yb17 C122 25.0(4) . .
O74 Yb17 C122 99.7(5) . .
O77 Yb17 C122 159.9(4) . .
O76 Yb17 C122 27.1(4) . .
O78 Yb17 C122 146.0(5) . .
C124 Yb17 C122 169.0(6) . .
O83 Yb17 C120 108.3(6) . .
O110 Yb17 C120 157.3(6) . .
O73 Yb17 C120 27.8(5) . .
O109 Yb17 C120 96.2(6) . .
O75 Yb17 C120 75.4(6) . .
O74 Yb17 C120 24.5(5) . .
O77 Yb17 C120 86.7(6) . .
O76 Yb17 C120 127.4(6) . .
O78 Yb17 C120 88.4(6) . .
C124 Yb17 C120 88.3(7) . .
C122 Yb17 C120 100.3(6) . .
O82 Yb18 O110 119.0(4) . .
O82 Yb18 O76 76.8(4) . .
O110 Yb18 O76 73.2(4) . .
O82 Yb18 O94 77.5(4) . .
O110 Yb18 O94 153.8(4) . .
O76 Yb18 O94 92.9(4) . .
O82 Yb18 O85 148.5(4) . .
O110 Yb18 O85 73.8(4) . .
O76 Yb18 O85 134.0(4) . .
O94 Yb18 O85 103.1(4) . .
O82 Yb18 O118 72.7(4) . .
O110 Yb18 O118 68.7(4) . .
O76 Yb18 O118 108.6(4) . .
O94 Yb18 O118 137.6(4) . .
O85 Yb18 O118 87.9(4) . .
O82 Yb18 O111 135.8(4) . .
O110 Yb18 O111 83.9(4) . .
O76 Yb18 O111 74.9(4) . .
O94 Yb18 O111 70.8(4) . .
O85 Yb18 O111 70.5(4) . .
O118 Yb18 O111 149.2(4) . .
O82 Yb18 O113 76.0(4) . .
O110 Yb18 O113 124.1(4) . .
O76 Yb18 O113 152.6(4) . .
O94 Yb18 O113 77.9(4) . .
O85 Yb18 O113 73.4(4) . .
O118 Yb18 O113 66.1(4) . .
O111 Yb18 O113 124.2(4) . .
O82 Yb18 Yb17 100.0(3) . .
O110 Yb18 Yb17 35.3(3) . .
O76 Yb18 Yb17 37.9(3) . .
O94 Yb18 Yb17 127.4(3) . .
O85 Yb18 Yb17 103.9(3) . .
O118 Yb18 Yb17 87.6(3) . .
O111 Yb18 Yb17 77.0(3) . .
O113 Yb18 Yb17 153.6(3) . .
O82 Yb18 Yb16 91.4(3) . .
O110 Yb18 Yb16 35.4(3) . .
O76 Yb18 Yb16 85.8(3) . .
O94 Yb18 Yb16 168.9(3) . .
O85 Yb18 Yb16 85.5(3) . .
O118 Yb18 Yb16 34.3(3) . .
O111 Yb18 Yb16 119.3(3) . .
O113 Yb18 Yb16 98.2(3) . .
Yb17 Yb18 Yb16 55.46(3) . .
O82 Yb18 Yb20 109.4(3) . .
O110 Yb18 Yb20 119.3(3) . .
O76 Yb18 Yb20 85.2(3) . .
O94 Yb18 Yb20 35.6(3) . .
O85 Yb18 Yb20 83.8(3) . .
O118 Yb18 Yb20 166.1(3) . .
O111 Yb18 Yb20 35.4(3) . .
O113 Yb18 Yb20 100.6(3) . .
Yb17 Yb18 Yb20 105.24(3) . .
Yb16 Yb18 Yb20 154.68(4) . .
O82 Yb18 Yb19 162.6(3) . .
O110 Yb18 Yb19 77.4(3) . .
O76 Yb18 Yb19 104.8(3) . .
O94 Yb18 Yb19 85.1(3) . .
O85 Yb18 Yb19 36.5(3) . .
O118 Yb18 Yb19 121.7(3) . .
O111 Yb18 Yb19 34.1(2) . .
O113 Yb18 Yb19 100.1(3) . .
Yb17 Yb18 Yb19 90.76(3) . .
Yb16 Yb18 Yb19 105.90(3) . .
Yb20 Yb18 Yb19 54.17(2) . .
O104 Yb19 O111 85.7(4) . .
O104 Yb19 O14 72.1(4) . .
O111 Yb19 O14 88.4(4) . .
O104 Yb19 O88 102.1(4) . .
O111 Yb19 O88 140.1(4) . .
O14 Yb19 O88 131.4(5) . .
O104 Yb19 O92 138.0(4) . .
O111 Yb19 O92 71.2(4) . .
O14 Yb19 O92 138.7(4) . .
O88 Yb19 O92 77.7(4) . .
O104 Yb19 O112 68.6(4) . .
O111 Yb19 O112 70.8(4) . .
O14 Yb19 O112 136.4(4) . .
O88 Yb19 O112 75.9(4) . .
O92 Yb19 O112 70.8(4) . .
O104 Yb19 O87 76.5(4) . .
O111 Yb19 O87 160.3(4) . .
O14 Yb19 O87 78.3(5) . .
O88 Yb19 O87 54.0(4) . .
O92 Yb19 O87 128.1(4) . .
O112 Yb19 O87 109.3(4) . .
O104 Yb19 O86 141.9(4) . .
O111 Yb19 O86 119.3(4) . .
O14 Yb19 O86 79.9(4) . .
O88 Yb19 O86 77.6(4) . .
O92 Yb19 O86 79.7(4) . .
O112 Yb19 O86 143.7(4) . .
O87 Yb19 O86 72.9(4) . .
O104 Yb19 O85 134.8(4) . .
O111 Yb19 O85 68.9(3) . .
O14 Yb19 O85 70.5(4) . .
O88 Yb19 O85 121.5(4) . .
O92 Yb19 O85 68.7(4) . .
O112 Yb19 O85 129.7(4) . .
O87 Yb19 O85 118.8(4) . .
O86 Yb19 O85 51.0(4) . .
O104 Yb19 C136 90.2(6) . .
O111 Yb19 C136 164.4(6) . .
O14 Yb19 C136 104.7(7) . .
O88 Yb19 C136 27.1(6) . .
O92 Yb19 C136 102.7(7) . .
O112 Yb19 C136 93.7(6) . .
O87 Yb19 C136 27.0(6) . .
O86 Yb19 C136 72.2(6) . .
O85 Yb19 C136 123.1(6) . .
O104 Yb19 C128 144.8(5) . .
O111 Yb19 C128 95.2(4) . .
O14 Yb19 C128 72.8(5) . .
O88 Yb19 C128 99.5(5) . .
O92 Yb19 C128 73.8(5) . .
O112 Yb19 C128 144.4(5) . .
O87 Yb19 C128 94.7(5) . .
O86 Yb19 C128 24.5(4) . .
O85 Yb19 C128 26.5(4) . .
C136 Yb19 C128 96.8(6) . .
O104 Yb19 Yb20 95.2(3) . .
O111 Yb19 Yb20 41.7(3) . .
O14 Yb19 Yb20 129.9(3) . .
O88 Yb19 Yb20 98.4(3) . .
O92 Yb19 Yb20 44.7(3) . .
O112 Yb19 Yb20 39.9(3) . .
O87 Yb19 Yb20 147.2(3) . .
O86 Yb19 Yb20 122.8(3) . .
O85 Yb19 Yb20 89.8(3) . .
C136 Yb19 Yb20 124.1(6) . .
C128 Yb19 Yb20 108.7(4) . .
O112 Yb20 O97 88.5(4) . .
O112 Yb20 O111 71.9(4) . .
O97 Yb20 O111 150.0(4) . .
O112 Yb20 O94 134.6(4) . .
O97 Yb20 O94 136.0(5) . .
O111 Yb20 O94 69.7(4) . .
O112 Yb20 O90 68.6(4) . .
O97 Yb20 O90 75.4(4) . .
O111 Yb20 O90 76.4(4) . .
O94 Yb20 O90 122.8(4) . .
O112 Yb20 O93 161.5(4) . .
O97 Yb20 O93 85.2(4) . .
O111 Yb20 O93 120.1(4) . .
O94 Yb20 O93 51.1(4) . .
O90 Yb20 O93 126.0(4) . .
O112 Yb20 O89 119.7(4) . .
O97 Yb20 O89 86.6(4) . .
O111 Yb20 O89 84.1(4) . .
O94 Yb20 O89 79.2(4) . .
O90 Yb20 O89 52.1(4) . .
O93 Yb20 O89 77.2(4) . .
O112 Yb20 O91 80.6(4) . .
O97 Yb20 O91 76.5(4) . .
O111 Yb20 O91 120.4(4) . .
O94 Yb20 O91 98.8(4) . .
O90 Yb20 O91 138.3(4) . .
O93 Yb20 O91 81.1(4) . .
O89 Yb20 O91 153.4(5) . .
O112 Yb20 O92 70.1(4) . .
O97 Yb20 O92 126.2(4) . .
O111 Yb20 O92 68.8(4) . .
O94 Yb20 O92 74.1(4) . .
O90 Yb20 O92 132.2(4) . .
O93 Yb20 O92 100.0(4) . .
O89 Yb20 O92 147.0(4) . .
O91 Yb20 O92 52.3(4) . .
O112 Yb20 C138 75.0(5) . .
O97 Yb20 C138 101.4(5) . .
O111 Yb20 C138 95.2(5) . .
O94 Yb20 C138 85.3(5) . .
O90 Yb20 C138 143.4(5) . .
O93 Yb20 C138 89.2(5) . .
O89 Yb20 C138 163.8(5) . .
O91 Yb20 C138 25.7(5) . .
O92 Yb20 C138 26.6(5) . .
O112 Yb20 C134 95.6(5) . .
O97 Yb20 C134 81.7(5) . .
O111 Yb20 C134 78.0(4) . .
O94 Yb20 C134 99.1(5) . .
O90 Yb20 C134 27.8(4) . .
O93 Yb20 C134 100.6(5) . .
O89 Yb20 C134 24.4(4) . .
O91 Yb20 C134 158.0(5) . .
O92 Yb20 C134 146.5(5) . .
C138 Yb20 C134 169.9(6) . .
O112 Yb20 C130 156.8(5) . .
O97 Yb20 C130 110.0(6) . .
O111 Yb20 C130 95.4(5) . .
O94 Yb20 C130 26.1(5) . .
O90 Yb20 C130 128.5(5) . .
O93 Yb20 C130 25.0(5) . .
O89 Yb20 C130 76.6(5) . .
O91 Yb20 C130 90.0(5) . .
O92 Yb20 C130 87.4(5) . .
C138 Yb20 C130 87.3(6) . .
C134 Yb20 C130 100.7(6) . .
O84 Yb21 O90 77.0(4) . .
O84 Yb21 O112 117.7(4) . .
O90 Yb21 O112 70.8(4) . .
O84 Yb21 O16 146.5(5) . 2_656
O90 Yb21 O16 135.3(4) . 2_656
O112 Yb21 O16 75.8(4) . 2_656
O84 Yb21 O20 77.9(4) . 2_656
O90 Yb21 O20 90.8(4) . 2_656
O112 Yb21 O20 150.7(4) . 2_656
O16 Yb21 O20 105.4(4) 2_656 2_656
O84 Yb21 O104 73.7(4) . .
O90 Yb21 O104 109.7(4) . .
O112 Yb21 O104 69.5(4) . .
O16 Yb21 O104 84.5(4) 2_656 .
O20 Yb21 O104 139.6(4) 2_656 .
O84 Yb21 O100 137.8(4) . 2_656
O90 Yb21 O100 74.9(4) . 2_656
O112 Yb21 O100 81.3(4) . 2_656
O16 Yb21 O100 71.4(4) 2_656 2_656
O20 Yb21 O100 71.8(4) 2_656 2_656
O104 Yb21 O100 146.0(4) . 2_656
O84 Yb21 O13 75.5(4) . .
O90 Yb21 O13 152.1(4) . .
O112 Yb21 O13 127.4(4) . .
O16 Yb21 O13 72.6(4) 2_656 .
O20 Yb21 O13 79.0(4) 2_656 .
O104 Yb21 O13 66.6(4) . .
O100 Yb21 O13 124.6(4) 2_656 .
O84 Yb21 Yb20 98.5(3) . .
O90 Yb21 Yb20 36.8(3) . .
O112 Yb21 Yb20 34.0(3) . .
O16 Yb21 Yb20 105.9(3) 2_656 .
O20 Yb21 Yb20 124.6(3) 2_656 .
O104 Yb21 Yb20 87.9(3) . .
O100 Yb21 Yb20 76.5(3) 2_656 .
O13 Yb21 Yb20 154.6(3) . .
O84 Yb21 Yb19 91.1(3) . .
O90 Yb21 Yb19 85.5(3) . .
O112 Yb21 Yb19 36.0(3) . .
O16 Yb21 Yb19 84.5(3) 2_656 .
O20 Yb21 Yb19 168.9(3) 2_656 .
O104 Yb21 Yb19 34.6(3) . .
O100 Yb21 Yb19 117.1(3) 2_656 .
O13 Yb21 Yb19 99.6(3) . .
Yb20 Yb21 Yb19 55.30(3) . .
O84 Yb21 Yb2 111.3(3) . 2_656
O90 Yb21 Yb2 85.0(3) . 2_656
O112 Yb21 Yb2 117.0(3) . 2_656
O16 Yb21 Yb2 84.6(3) 2_656 2_656
O20 Yb21 Yb2 36.3(3) 2_656 2_656
O104 Yb21 Yb2 165.3(3) . 2_656
O100 Yb21 Yb2 35.8(3) 2_656 2_656
O13 Yb21 Yb2 100.6(3) . 2_656
Yb20 Yb21 Yb2 104.54(3) . 2_656
Yb19 Yb21 Yb2 152.89(4) . 2_656
O84 Yb21 Yb1 164.1(3) . 2_656
O90 Yb21 Yb1 106.2(3) . 2_656
O112 Yb21 Yb1 77.6(3) . 2_656
O16 Yb21 Yb1 36.6(3) 2_656 2_656
O20 Yb21 Yb1 86.5(3) 2_656 2_656
O104 Yb21 Yb1 118.3(3) . 2_656
O100 Yb21 Yb1 34.9(3) 2_656 2_656
O13 Yb21 Yb1 99.0(3) . 2_656
Yb20 Yb21 Yb1 92.53(3) . 2_656
Yb19 Yb21 Yb1 104.60(3) . 2_656
Yb2 Yb21 Yb1 54.42(2) 2_656 2_656
C1 O1 C2 111.2(14) . .
C1 O1 Yb3 126.7(11) . .
C2 O1 Yb3 121.1(11) . .
C8 O2 Yb1 133.0(13) . .
C10 O3 C9 114.4(17) . .
C10 O3 Yb6 120.0(13) . .
C9 O3 Yb6 125.3(11) . .
C16 O4 Yb4 135.8(12) . .
C18 O5 C17 114.1(15) . .
C18 O5 Yb9 118.4(11) . .
C17 O5 Yb9 125.9(11) . .
C24 O6 Yb7 134.0(13) . .
C26 O7 C25 117.5(16) . .
C26 O7 Yb12 115.2(12) . .
C25 O7 Yb12 124.2(11) . .
C32 O8 Yb10 134.4(12) . .
C34 O9 C33 113.2(16) . .
C34 O9 Yb15 117.2(12) . .
C33 O9 Yb15 128.7(12) . .
C40 O10 Yb13 131.2(13) . .
C7 O11 Yb1 136.3(11) . .
C7 O11 Yb3 115.2(11) . .
Yb1 O11 Yb3 108.6(5) . .
C48 O12 Yb16 130.0(12) . .
C50 O13 C49 116.2(15) . .
C50 O13 Yb21 114.5(10) . .
C49 O13 Yb21 127.9(11) . .
C56 O14 Yb19 131.6(14) . .
C58 O15 Yb1 95.6(11) . .
C58 O16 Yb21 157.6(13) . 2_656
C58 O16 Yb1 91.6(11) . .
Yb21 O16 Yb1 109.1(5) 2_656 .
C62 O17 Yb1 90.8(12) . .
C62 O18 Yb1 89.0(12) . .
C60 O19 Yb2 95.3(12) . .
C60 O20 Yb21 156.4(12) . 2_656
C60 O20 Yb2 94.1(11) . .
Yb21 O20 Yb2 108.7(5) 2_656 .
C66 O21 Yb3 154.4(11) . .
C66 O21 Yb2 93.4(9) . .
Yb3 O21 Yb2 108.2(4) . .
C15 O22 Yb4 132.6(12) . .
C15 O22 Yb6 122.0(12) . .
Yb4 O22 Yb6 105.3(5) . .
C64 O23 Yb1 133.6(13) . .
C64 O23 Yb2 93.1(11) . .
Yb1 O23 Yb2 95.7(4) . .
C64 O24 Yb2 92.3(11) . .
C68 O25 Yb2 139.9(13) . .
C68 O26 Yb6 154.6(14) . .
C70 O27 Yb3 157.1(12) . .
C70 O27 Yb5 93.3(11) . .
Yb3 O27 Yb5 109.4(4) . .
C70 O28 Yb5 92.7(11) . .
C78 O29 Yb5 95.1(10) . .
C78 O30 Yb6 151.9(11) . .
C78 O30 Yb5 96.2(11) . .
Yb6 O30 Yb5 108.2(4) . .
C74 O31 Yb4 90.0(13) . .
C74 O32 Yb4 90.9(14) . .
C76 O33 Yb4 129.8(13) . .
C76 O33 Yb5 93.5(13) . .
Yb4 O33 Yb5 92.7(4) . .
C76 O34 Yb5 93.9(15) . .
C82 O35 Yb5 139.7(13) . .
C82 O36 Yb9 152.1(13) . .
C80 O37 Yb6 153.4(15) . .
C80 O37 Yb7 93.9(14) . .
Yb6 O37 Yb7 107.8(5) . .
C80 O38 Yb7 98.5(15) . .
C86 O39 Yb6 155.2(12) . .
C86 O39 Yb8 92.9(11) . .
Yb6 O39 Yb8 108.9(4) . .
C86 O40 Yb8 95.0(13) . .
C84 O41 Yb7 88.6(14) . .
C84 O42 Yb7 90.0(13) . .
C90 O43 Yb7 132.4(13) . .
C90 O43 Yb8 92.6(12) . .
Yb7 O43 Yb8 94.5(4) . .
C90 O44 Yb8 94.9(13) . .
C88 O45 Yb8 93.7(12) . .
C88 O46 Yb9 154.4(12) . .
C88 O46 Yb8 92.0(12) . .
Yb9 O46 Yb8 108.1(5) . .
C92 O47 Yb9 154.4(12) . .
C92 O47 Yb10 94.1(11) . .
Yb9 O47 Yb10 109.0(4) . .
C92 O48 Yb10 94.3(10) . .
C94 O49 Yb9 154.7(14) . .
C94 O49 Yb11 89.6(12) . .
Yb9 O49 Yb11 110.9(5) . .
C94 O50 Yb11 91.6(14) . .
C102 O51 Yb10 91.9(13) . .
C102 O52 Yb10 86.6(11) . .
C100 O53 Yb10 136.4(13) . .
C100 O53 Yb11 91.9(12) . .
Yb10 O53 Yb11 94.3(5) . .
C100 O54 Yb11 93.8(13) . .
C96 O55 Yb8 138.5(13) . .
C31 O56 Yb12 119.8(13) . .
C31 O56 Yb10 130.6(13) . .
Yb12 O56 Yb10 109.4(5) . .
C98 O57 Yb11 91.0(12) . .
C98 O58 Yb12 151.0(13) . .
C98 O58 Yb11 91.9(11) . .
Yb12 O58 Yb11 107.4(5) . .
C106 O59 Yb11 139.9(13) . .
C106 O60 Yb15 152.0(13) . .
C108 O61 Yb12 153.6(13) . .
C108 O61 Yb14 94.4(12) . .
Yb12 O61 Yb14 108.7(5) . .
C108 O62 Yb14 95.1(14) . .
C104 O63 Yb12 155.2(14) . .
C104 O63 Yb13 89.0(12) . .
Yb12 O63 Yb13 108.1(4) . .
C104 O64 Yb13 96.6(13) . .
C112 O65 Yb14 95.0(12) . .
C112 O66 Yb15 155.4(13) . .
C112 O66 Yb14 92.9(11) . .
Yb15 O66 Yb14 107.6(5) . .
C110 O67 Yb14 95.8(12) . .
C110 O68 Yb13 136.6(13) . .
C110 O68 Yb14 93.3(11) . .
Yb13 O68 Yb14 92.7(4) . .
C114 O69 Yb13 89.5(13) . .
C114 O70 Yb13 90.4(16) . .
C118 O71 Yb15 156.8(13) . .
C118 O71 Yb16 91.8(12) . .
Yb15 O71 Yb16 110.5(5) . .
C118 O72 Yb16 95.1(12) . .
C120 O73 Yb17 97.3(12) . .
C120 O73 Yb15 149.5(12) . .
Yb17 O73 Yb15 110.3(5) . .
C120 O74 Yb17 99.0(14) . .
C122 O75 Yb17 98.1(12) . .
C122 O76 Yb18 155.7(12) . .
C122 O76 Yb17 93.9(12) . .
Yb18 O76 Yb17 106.1(5) . .
C124 O77 Yb17 95.5(13) . .
C124 O78 Yb16 133.0(13) . .
C124 O78 Yb17 92.1(13) . .
Yb16 O78 Yb17 93.6(5) . .
C126 O79 Yb16 86.7(13) . .
C126 O80 Yb16 91.6(15) . .
C116 O81 Yb14 141.3(13) . .
C116 O82 Yb18 149.2(13) . .
C132 O83 Yb17 142.0(13) . .
C132 O84 Yb21 146.4(12) . .
C128 O85 Yb18 155.5(12) . .
C128 O85 Yb19 94.1(10) . .
Yb18 O85 Yb19 109.1(4) . .
C128 O86 Yb19 97.8(11) . .
C136 O87 Yb19 86.0(13) . .
C136 O88 Yb19 87.9(13) . .
C134 O89 Yb20 94.7(10) . .
C134 O90 Yb21 154.7(11) . .
C134 O90 Yb20 91.2(10) . .
Yb21 O90 Yb20 108.6(4) . .
C138 O91 Yb20 92.3(13) . .
C138 O92 Yb19 134.7(12) . .
C138 O92 Yb20 88.1(12) . .
Yb19 O92 Yb20 93.3(4) . .
C130 O93 Yb20 95.3(13) . .
C130 O94 Yb18 154.5(12) . .
C130 O94 Yb20 94.8(11) . .
Yb18 O94 Yb20 109.9(5) . .
C72 O95 Yb3 160.6(13) . .
C72 O95 Yb4 88.8(11) . .
Yb3 O95 Yb4 106.4(4) . .
C72 O96 Yb4 96.3(12) . .
C140 O97 Yb20 141.1(12) . .
C140 O98 Yb3 150.2(12) . 2_656
Yb3 O99 Yb2 111.8(5) . .
Yb3 O99 Yb1 110.2(4) . .
Yb2 O99 Yb1 97.8(4) . .
Yb3 O99 H99D 112.1 . .
Yb2 O99 H99D 112.1 . .
Yb1 O99 H99D 112.1 . .
Yb21 O100 Yb2 108.5(5) 2_656 .
Yb21 O100 Yb1 110.4(5) 2_656 .
Yb2 O100 Yb1 96.3(4) . .
Yb21 O100 H10Q 113.5 2_656 .
Yb2 O100 H10Q 113.5 . .
Yb1 O100 H10Q 113.5 . .
Yb5 O101 Yb4 97.2(4) . .
Yb5 O101 Yb3 110.1(5) . .
Yb4 O101 Yb3 110.6(4) . .
Yb5 O101 H10R 112.7 . .
Yb4 O101 H10R 112.7 . .
Yb3 O101 H10R 112.7 . .
Yb6 O102 Yb5 113.1(4) . .
Yb6 O102 Yb4 112.1(5) . .
Yb5 O102 Yb4 99.9(4) . .
Yb6 O102 H10S 110.5 . .
Yb5 O102 H10S 110.5 . .
Yb4 O102 H10S 110.5 . .
Yb7 O103 Yb6 110.2(4) . .
Yb7 O103 Yb8 96.6(4) . .
Yb6 O103 Yb8 108.7(4) . .
Yb7 O103 H10T 113.4 . .
Yb6 O103 H10T 113.4 . .
Yb8 O103 H10T 113.4 . .
C55 O104 Yb19 131.8(12) . .
C55 O104 Yb21 117.9(12) . .
Yb19 O104 Yb21 110.3(5) . .
Yb9 O105 Yb11 107.2(4) . .
Yb9 O105 Yb10 109.3(4) . .
Yb11 O105 Yb10 95.0(4) . .
Yb9 O105 H10V 114.5 . .
Yb11 O105 H10V 114.5 . .
Yb10 O105 H10V 114.5 . .
Yb12 O106 Yb10 112.2(5) . .
Yb12 O106 Yb11 111.3(5) . .
Yb10 O106 Yb11 99.9(4) . .
Yb12 O106 H10W 111.0 . .
Yb10 O106 H10W 111.0 . .
Yb11 O106 H10W 111.0 . .
Yb13 O107 Yb14 98.1(4) . .
Yb13 O107 Yb12 111.6(4) . .
Yb14 O107 Yb12 107.3(4) . .
Yb13 O107 H10X 112.9 . .
Yb14 O107 H10X 112.9 . .
Yb12 O107 H10X 112.9 . .
Yb15 O108 Yb14 111.8(4) . .
Yb15 O108 Yb13 109.3(4) . .
Yb14 O108 Yb13 97.9(4) . .
Yb15 O108 H10Y 112.3 . .
Yb14 O108 H10Y 112.3 . .
Yb13 O108 H10Y 112.3 . .
Yb15 O109 Yb16 113.5(4) . .
Yb15 O109 Yb17 111.0(4) . .
Yb16 O109 Yb17 97.5(4) . .
Yb15 O109 H10Z 111.4 . .
Yb16 O109 H10Z 111.4 . .
Yb17 O109 H10Z 111.4 . .
Yb18 O110 Yb17 110.6(5) . .
Yb18 O110 Yb16 110.6(5) . .
Yb17 O110 Yb16 97.7(4) . .
Yb18 O110 H11Q 112.4 . .
Yb17 O110 H11Q 112.4 . .
Yb16 O110 H11Q 112.4 . .
Yb19 O111 Yb20 97.1(4) . .
Yb19 O111 Yb18 111.4(4) . .
Yb20 O111 Yb18 109.2(4) . .
Yb19 O111 H11R 112.7 . .
Yb20 O111 H11R 112.7 . .
Yb18 O111 H11R 112.7 . .
Yb20 O112 Yb21 112.0(5) . .
Yb20 O112 Yb19 98.3(4) . .
Yb21 O112 Yb19 109.5(5) . .
Yb20 O112 H11S 112.1 . .
Yb21 O112 H11S 112.1 . .
Yb19 O112 H11S 112.1 . .
C42 O113 C41 117.4(14) . .
C42 O113 Yb18 113.9(11) . .
C41 O113 Yb18 128.0(10) . .
C39 O114 Yb13 132.7(11) . .
C39 O114 Yb15 118.2(11) . .
Yb13 O114 Yb15 108.7(5) . .
C66 O115 Yb2 92.7(9) . .
C23 O116 Yb9 118.9(11) . .
C23 O116 Yb7 132.7(11) . .
Yb9 O116 Yb7 108.2(5) . .
C96 O117 Yb12 153.1(14) . .
C47 O118 Yb16 133.2(11) . .
C47 O118 Yb18 116.7(11) . .
Yb16 O118 Yb18 110.1(5) . .
Yb9 O119 Yb8 111.7(4) . .
Yb9 O119 Yb7 110.3(4) . .
Yb8 O119 Yb7 97.9(4) . .
Yb9 O119 H11T 112.1 . .
Yb8 O119 H11T 112.1 . .
Yb7 O119 H11T 112.1 . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C7 131.0(19) . .
C3 C2 O1 124.7(19) . .
C7 C2 O1 104.3(16) . .
C2 C3 C4 115(2) . .
C2 C3 H3A 122.4 . .
C4 C3 H3A 122.4 . .
C5 C4 C3 121(2) . .
C5 C4 H4A 119.7 . .
C3 C4 H4A 119.7 . .
C4 C5 C6 128(2) . .
C4 C5 H5A 115.8 . .
C6 C5 H5A 115.8 . .
C5 C6 C8 125.6(19) . .
C5 C6 C7 114.9(18) . .
C8 C6 C7 119.1(17) . .
O11 C7 C2 128.8(17) . .
O11 C7 C6 121.3(16) . .
C2 C7 C6 109.9(16) . .
O2 C8 C6 131(2) . .
O2 C8 H8A 114.4 . .
C6 C8 H8A 114.4 . .
O3 C9 H9A 109.5 . .
O3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 O3 123(2) . .
C11 C10 C15 125(2) . .
O3 C10 C15 112(2) . .
C10 C11 C12 117(2) . .
C10 C11 H11A 121.6 . .
C12 C11 H11A 121.6 . .
C13 C12 C11 119(3) . .
C13 C12 H12A 120.4 . .
C11 C12 H12A 120.4 . .
C12 C13 C14 127(3) . .
C12 C13 H13A 116.5 . .
C14 C13 H13A 116.5 . .
C16 C14 C15 123(2) . .
C16 C14 C13 121(2) . .
C15 C14 C13 115(2) . .
O22 C15 C14 123.9(19) . .
O22 C15 C10 119(2) . .
C14 C15 C10 117(2) . .
O4 C16 C14 127(2) . .
O4 C16 H16A 116.6 . .
C14 C16 H16A 116.6 . .
O5 C17 H17A 109.5 . .
O5 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
O5 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 126(2) . .
C19 C18 O5 124.6(19) . .
C23 C18 O5 109.3(17) . .
C18 C19 C20 119(2) . .
C18 C19 H19A 120.5 . .
C20 C19 H19A 120.5 . .
C21 C20 C19 119(2) . .
C21 C20 H20A 120.6 . .
C19 C20 H20A 120.6 . .
C20 C21 C22 122(2) . .
C20 C21 H21A 119.2 . .
C22 C21 H21A 119.2 . .
C21 C22 C23 120(2) . .
C21 C22 C24 115(2) . .
C23 C22 C24 123.1(18) . .
O116 C23 C18 123.2(18) . .
O116 C23 C22 122.9(18) . .
C18 C23 C22 113.8(19) . .
O6 C24 C22 126.4(19) . .
O6 C24 H24A 116.8 . .
C22 C24 H24A 116.8 . .
O7 C25 H25A 109.5 . .
O7 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
O7 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 O7 120(2) . .
C27 C26 C31 130(2) . .
O7 C26 C31 109.7(19) . .
C26 C27 C28 116(2) . .
C26 C27 H27A 122.2 . .
C28 C27 H27A 122.2 . .
C29 C28 C27 119(2) . .
C29 C28 H28A 120.3 . .
C27 C28 H28A 120.3 . .
C28 C29 C30 121.6(18) . .
C28 C29 H29A 119.2 . .
C30 C29 H29A 119.2 . .
C32 C30 C29 111.7(18) . .
C32 C30 C31 124(2) . .
C29 C30 C31 124.3(19) . .
O56 C31 C30 128(2) . .
O56 C31 C26 123(2) . .
C30 C31 C26 108(2) . .
O56 C31 Yb12 40.3(10) . .
C30 C31 Yb12 159.7(15) . .
C26 C31 Yb12 84.6(13) . .
O8 C32 C30 124.2(18) . .
O8 C32 H32A 117.9 . .
C30 C32 H32A 117.9 . .
O9 C33 H33A 109.5 . .
O9 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
O9 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C35 C34 O9 126.5(18) . .
C35 C34 C39 122.6(19) . .
O9 C34 C39 110.9(18) . .
C34 C35 C36 116(2) . .
C34 C35 H35A 121.9 . .
C36 C35 H35A 121.9 . .
C37 C36 C35 126(2) . .
C37 C36 H36A 117.1 . .
C35 C36 H36A 117.1 . .
C36 C37 C38 120(2) . .
C36 C37 H37A 120.0 . .
C38 C37 H37A 120.0 . .
C37 C38 C40 119(2) . .
C37 C38 C39 118.2(19) . .
C40 C38 C39 123(2) . .
O114 C39 C34 120.3(18) . .
O114 C39 C38 122.7(18) . .
C34 C39 C38 116.9(19) . .
O10 C40 C38 129(2) . .
O10 C40 H40A 115.5 . .
C38 C40 H40A 115.5 . .
O113 C41 H41C 109.5 . .
O113 C41 H41A 109.5 . .
H41C C41 H41A 109.5 . .
O113 C41 H41B 109.5 . .
H41C C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C47 C42 C43 124(2) . .
C47 C42 O113 114.3(18) . .
C43 C42 O113 120.7(19) . .
C44 C43 C42 116(2) . .
C44 C43 H43A 121.8 . .
C42 C43 H43A 121.8 . .
C45 C44 C43 118(2) . .
C45 C44 H44A 120.8 . .
C43 C44 H44A 120.8 . .
C44 C45 C46 130(2) . .
C44 C45 H45A 115.0 . .
C46 C45 H45A 115.0 . .
C48 C46 C47 122(2) . .
C48 C46 C45 126.2(19) . .
C47 C46 C45 111.9(19) . .
C42 C47 O118 121.6(19) . .
C42 C47 C46 118(2) . .
O118 C47 C46 119.4(18) . .
O12 C48 C46 133(2) . .
O12 C48 H48A 113.4 . .
C46 C48 H48A 113.4 . .
O13 C49 H49A 109.5 . .
O13 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
O13 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C51 C50 O13 121.8(17) . .
C51 C50 C55 123.7(19) . .
O13 C50 C55 114.3(17) . .
C52 C51 C50 122(2) . .
C52 C51 H51A 119.0 . .
C50 C51 H51A 119.0 . .
C53 C52 C51 112(3) . .
C53 C52 H52A 124.0 . .
C51 C52 H52A 124.0 . .
C52 C53 C54 127(3) . .
C52 C53 H53A 116.7 . .
C54 C53 H53A 116.7 . .
C55 C54 C53 122(2) . .
C55 C54 C56 118(2) . .
C53 C54 C56 119(2) . .
O104 C55 C54 126(2) . .
O104 C55 C50 120.6(19) . .
C54 C55 C50 113(2) . .
O14 C56 C54 131(2) . .
O14 C56 H56A 114.5 . .
C54 C56 H56A 114.5 . .
C58 C57 H57A 109.5 . .
C58 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C58 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
O15 C58 O16 121.9(18) . .
O15 C58 C57 121.5(17) . .
O16 C58 C57 116.6(18) . .
O15 C58 Yb1 59.5(10) . .
O16 C58 Yb1 62.4(10) . .
C57 C58 Yb1 177.2(13) . .
C60 C59 H59A 109.5 . .
C60 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C60 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
O19 C60 O20 118.3(18) . .
O19 C60 C59 122.9(18) . .
O20 C60 C59 118.9(18) . .
O19 C60 Yb2 59.4(10) . .
O20 C60 Yb2 59.0(9) . .
C59 C60 Yb2 176.3(14) . .
C62 C61 H61A 109.5 . .
C62 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C62 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
O17 C62 O18 126(2) . .
O17 C62 C61 117.4(19) . .
O18 C62 C61 116.2(19) . .
O17 C62 Yb1 62.4(10) . .
O18 C62 Yb1 64.1(11) . .
C61 C62 Yb1 179.3(17) . .
C64 C63 H63A 109.5 . .
C64 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C64 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
O23 C64 O24 123.0(17) . .
O23 C64 C63 121.4(18) . .
O24 C64 C63 115.4(18) . .
O23 C64 Yb2 61.3(9) . .
O24 C64 Yb2 61.7(10) . .
C63 C64 Yb2 176.3(14) . .
C66 C65 H65A 109.5 . .
C66 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C66 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
O115 C66 O21 121.3(14) . .
O115 C66 C65 120.5(14) . .
O21 C66 C65 118.2(14) . .
O115 C66 Yb2 61.5(8) . .
O21 C66 Yb2 59.9(8) . .
C65 C66 Yb2 175.9(11) . .
C68 C67 H67A 109.5 . .
C68 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C68 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
O25 C68 O26 121(2) . .
O25 C68 C67 125(2) . .
O26 C68 C67 114(2) . .
C70 C69 H69A 109.5 . .
C70 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C70 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
O27 C70 O28 120.7(17) . .
O27 C70 C69 119.4(19) . .
O28 C70 C69 119.1(18) . .
O27 C70 Yb5 61.0(9) . .
O28 C70 Yb5 59.8(9) . .
C69 C70 Yb5 168.9(14) . .
C72 C71 H71A 109.5 . .
C72 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C72 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
O96 C72 O95 123.9(18) . .
O96 C72 C71 122.1(18) . .
O95 C72 C71 113.9(17) . .
O96 C72 Yb4 59.0(10) . .
O95 C72 Yb4 64.9(10) . .
C71 C72 Yb4 174.9(14) . .
C74 C73 H73A 109.5 . .
C74 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C74 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
O31 C74 O32 126(2) . .
O31 C74 C73 117(2) . .
O32 C74 C73 117(2) . .
O31 C74 Yb4 63.6(12) . .
O32 C74 Yb4 62.6(12) . .
C73 C74 Yb4 178.2(17) . .
C76 C75 H75A 109.5 . .
C76 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C76 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
O34 C76 O33 122(2) . .
O34 C76 C75 119(2) . .
O33 C76 C75 119(2) . .
O34 C76 Yb5 60.8(12) . .
O33 C76 Yb5 60.9(12) . .
C75 C76 Yb5 179.7(17) . .
C78 C77 H77A 109.5 . .
C78 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C78 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
O29 C78 O30 116.5(16) . .
O29 C78 C77 123.2(16) . .
O30 C78 C77 120.4(16) . .
O29 C78 Yb5 59.2(9) . .
O30 C78 Yb5 57.5(9) . .
C77 C78 Yb5 175.0(13) . .
C80 C79 H79A 109.5 . .
C80 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C80 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
O38 C80 O37 116(2) . .
O38 C80 C79 122(2) . .
O37 C80 C79 121(2) . .
O38 C80 Yb7 57.1(13) . .
O37 C80 Yb7 59.7(12) . .
C79 C80 Yb7 178.2(18) . .
C82 C81 H81A 109.5 . .
C82 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C82 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
O36 C82 O35 119.6(19) . .
O36 C82 C81 118.6(18) . .
O35 C82 C81 121.8(18) . .
C84 C83 H83A 109.5 . .
C84 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C84 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
O41 C84 O42 126(2) . .
O41 C84 C83 118(2) . .
O42 C84 C83 117(2) . .
O41 C84 Yb7 64.9(13) . .
O42 C84 Yb7 62.0(11) . .
C83 C84 Yb7 171.1(17) . .
C86 C85 H85A 109.5 . .
C86 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C86 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
O39 C86 O40 118.2(19) . .
O39 C86 C85 118(2) . .
O40 C86 C85 123(2) . .
O39 C86 Yb8 60.8(10) . .
O40 C86 Yb8 58.0(11) . .
C85 C86 Yb8 178.8(18) . .
C88 C87 H87A 109.5 . .
C88 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C88 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
O45 C88 O46 121.4(19) . .
O45 C88 C87 123.6(18) . .
O46 C88 C87 115.0(19) . .
O45 C88 Yb8 61.3(11) . .
O46 C88 Yb8 60.4(10) . .
C87 C88 Yb8 172.6(13) . .
C90 C89 H89A 109.5 . .
C90 C89 H89B 109.5 . .
H89A C89 H89B 109.5 . .
C90 C89 H89C 109.5 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.5 . .
O44 C90 O43 121(2) . .
O44 C90 C89 119(2) . .
O43 C90 C89 119(2) . .
O44 C90 Yb8 60.2(11) . .
O43 C90 Yb8 61.3(10) . .
C89 C90 Yb8 179.2(19) . .
C92 C91 H91A 109.5 . .
C92 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C92 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
O47 C92 O48 119.7(16) . .
O47 C92 C91 118.7(16) . .
O48 C92 C91 121.6(16) . .
O47 C92 Yb10 60.2(9) . .
O48 C92 Yb10 59.5(9) . .
C91 C92 Yb10 177.4(14) . .
C94 C93 H93A 109.5 . .
C94 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C94 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
O50 C94 O49 124(2) . .
O50 C94 C93 115(2) . .
O49 C94 C93 120(2) . .
O50 C94 Yb11 63.0(12) . .
O49 C94 Yb11 62.9(11) . .
C93 C94 Yb11 173.0(15) . .
C96 C95 H95A 109.5 . .
C96 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C96 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
O117 C96 O55 117.8(19) . .
O117 C96 C95 121.0(19) . .
O55 C96 C95 120.6(18) . .
C98 C97 H97A 109.5 . .
C98 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C98 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
O57 C98 O58 122.9(18) . .
O57 C98 C97 120.0(17) . .
O58 C98 C97 116.6(17) . .
O57 C98 Yb11 62.6(10) . .
O58 C98 Yb11 61.7(10) . .
C97 C98 Yb11 174.7(12) . .
C100 C99 H99A 109.5 . .
C100 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C100 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
O54 C100 O53 123(2) . .
O54 C100 C99 120(2) . .
O53 C100 C99 116(2) . .
O54 C100 Yb11 61.5(11) . .
O53 C100 Yb11 61.6(11) . .
C99 C100 Yb11 175.5(16) . .
C102 C101 H10A 109.5 . .
C102 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C102 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
O51 C102 O52 126.7(19) . .
O51 C102 C101 117(2) . .
O52 C102 C101 116.6(19) . .
O51 C102 Yb10 61.8(11) . .
O52 C102 Yb10 65.3(10) . .
C101 C102 Yb10 173.2(13) . .
C104 C103 H10D 109.5 . .
C104 C103 H10E 109.5 . .
H10D C103 H10E 109.5 . .
C104 C103 H10F 109.5 . .
H10D C103 H10F 109.5 . .
H10E C103 H10F 109.5 . .
O64 C104 O63 122(2) . .
O64 C104 C103 122(2) . .
O63 C104 C103 115.3(19) . .
O64 C104 Yb13 58.4(11) . .
O63 C104 Yb13 64.1(11) . .
C103 C104 Yb13 179.5(18) . .
C106 C105 H10G 109.5 . .
C106 C105 H10H 109.5 . .
H10G C105 H10H 109.5 . .
C106 C105 H10I 109.5 . .
H10G C105 H10I 109.5 . .
H10H C105 H10I 109.5 . .
O59 C106 O60 119.6(19) . .
O59 C106 C105 121.5(19) . .
O60 C106 C105 119(2) . .
C108 C107 H10J 109.5 . .
C108 C107 H10K 109.5 . .
H10J C107 H10K 109.5 . .
C108 C107 H10L 109.5 . .
H10J C107 H10L 109.5 . .
H10K C107 H10L 109.5 . .
O62 C108 O61 117(2) . .
O62 C108 C107 121(2) . .
O61 C108 C107 122(2) . .
O62 C108 Yb14 59.8(12) . .
O61 C108 Yb14 58.8(11) . .
C107 C108 Yb14 169.8(16) . .
C110 C109 H10M 109.5 . .
C110 C109 H10N 109.5 . .
H10M C109 H10N 109.5 . .
C110 C109 H10O 109.5 . .
H10M C109 H10O 109.5 . .
H10N C109 H10O 109.5 . .
O68 C110 O67 119.5(19) . .
O68 C110 C109 118.1(18) . .
O67 C110 C109 122.4(19) . .
O68 C110 Yb14 61.3(10) . .
O67 C110 Yb14 58.3(10) . .
C109 C110 Yb14 179.0(18) . .
C112 C111 H11B 109.5 . .
C112 C111 H11C 109.5 . .
H11B C111 H11C 109.5 . .
C112 C111 H11D 109.5 . .
H11B C111 H11D 109.5 . .
H11C C111 H11D 109.5 . .
O65 C112 O66 119.9(18) . .
O65 C112 C111 120.5(19) . .
O66 C112 C111 119.1(19) . .
O65 C112 Yb14 60.0(10) . .
O66 C112 Yb14 60.1(9) . .
C111 C112 Yb14 168.2(12) . .
C114 C113 H11E 109.5 . .
C114 C113 H11F 109.5 . .
H11E C113 H11F 109.5 . .
C114 C113 H11G 109.5 . .
H11E C113 H11G 109.5 . .
H11F C113 H11G 109.5 . .
O70 C114 O69 126(2) . .
O70 C114 C113 114(3) . .
O69 C114 C113 118(2) . .
O70 C114 Yb13 64.1(14) . .
O69 C114 Yb13 61.6(12) . .
C113 C114 Yb13 164.1(17) . .
C116 C115 H11H 109.5 . .
C116 C115 H11I 109.5 . .
H11H C115 H11I 109.5 . .
C116 C115 H11J 109.5 . .
H11H C115 H11J 109.5 . .
H11I C115 H11J 109.5 . .
O82 C116 O81 125(2) . .
O82 C116 C115 118.0(18) . .
O81 C116 C115 116.8(18) . .
C118 C117 H11K 109.5 . .
C118 C117 H11L 109.5 . .
H11K C117 H11L 109.5 . .
C118 C117 H11M 109.5 . .
H11K C117 H11M 109.5 . .
H11L C117 H11M 109.5 . .
O72 C118 O71 120.4(19) . .
O72 C118 C117 120.8(18) . .
O71 C118 C117 118.3(17) . .
O72 C118 Yb16 59.4(10) . .
O71 C118 Yb16 61.3(10) . .
C117 C118 Yb16 177.9(14) . .
C120 C119 H11N 109.5 . .
C120 C119 H11O 109.5 . .
H11N C119 H11O 109.5 . .
C120 C119 H11P 109.5 . .
H11N C119 H11P 109.5 . .
H11O C119 H11P 109.5 . .
O74 C120 O73 111(2) . .
O74 C120 C119 130(2) . .
O73 C120 C119 118(2) . .
O74 C120 Yb17 56.5(11) . .
O73 C120 Yb17 55.0(10) . .
C119 C120 Yb17 170.4(18) . .
C122 C121 H12B 109.5 . .
C122 C121 H12C 109.5 . .
H12B C121 H12C 109.5 . .
C122 C121 H12D 109.5 . .
H12B C121 H12D 109.5 . .
H12C C121 H12D 109.5 . .
O75 C122 O76 115.8(19) . .
O75 C122 C121 125.4(19) . .
O76 C122 C121 118.5(19) . .
O75 C122 Yb17 56.9(10) . .
O76 C122 Yb17 59.0(10) . .
C121 C122 Yb17 171.9(13) . .
C124 C123 H23E 109.5 . .
C124 C123 H23F 109.5 . .
H23E C123 H23F 109.5 . .
C124 C123 H23G 109.5 . .
H23E C123 H23G 109.5 . .
H23F C123 H23G 109.5 . .
O78 C124 O77 120(2) . .
O78 C124 C123 121(2) . .
O77 C124 C123 119(2) . .
O78 C124 Yb17 61.8(12) . .
O77 C124 Yb17 58.5(12) . .
C123 C124 Yb17 177.4(17) . .
C126 C125 H12E 109.5 . .
C126 C125 H12F 109.5 . .
H12E C125 H12F 109.5 . .
C126 C125 H12G 109.5 . .
H12E C125 H12G 109.5 . .
H12F C125 H12G 109.5 . .
O80 C126 O79 128(2) . .
O80 C126 C125 119(2) . .
O79 C126 C125 112(2) . .
O80 C126 Yb16 63.5(13) . .
O79 C126 Yb16 64.3(11) . .
C125 C126 Yb16 167.6(17) . .
C128 C127 H27H 109.5 . .
C128 C127 H27I 109.5 . .
H27H C127 H27I 109.5 . .
C128 C127 H27J 109.5 . .
H27H C127 H27J 109.5 . .
H27I C127 H27J 109.5 . .
O86 C128 O85 116.9(17) . .
O86 C128 C127 121.7(16) . .
O85 C128 C127 121.3(16) . .
O86 C128 Yb19 57.6(9) . .
O85 C128 Yb19 59.4(9) . .
C127 C128 Yb19 179.2(14) . .
C130 C129 H12H 109.5 . .
C130 C129 H12I 109.5 . .
H12H C129 H12I 109.5 . .
C130 C129 H12J 109.5 . .
H12H C129 H12J 109.5 . .
H12I C129 H12J 109.5 . .
O93 C130 O94 118.8(18) . .
O93 C130 C129 119(2) . .
O94 C130 C129 121.5(18) . .
O93 C130 Yb20 59.7(11) . .
O94 C130 Yb20 59.1(10) . .
C129 C130 Yb20 169.5(13) . .
C132 C131 H13B 109.5 . .
C132 C131 H13C 109.5 . .
H13B C131 H13C 109.5 . .
C132 C131 H13D 109.5 . .
H13B C131 H13D 109.5 . .
H13C C131 H13D 109.5 . .
O83 C132 O84 126.1(19) . .
O83 C132 C131 119.3(18) . .
O84 C132 C131 114.6(17) . .
C134 C133 H13E 109.5 . .
C134 C133 H13F 109.5 . .
H13E C133 H13F 109.5 . .
C134 C133 H13G 109.5 . .
H13E C133 H13G 109.5 . .
H13F C133 H13G 109.5 . .
O89 C134 O90 121.7(16) . .
O89 C134 C133 121.5(17) . .
O90 C134 C133 116.8(17) . .
O89 C134 Yb20 61.0(9) . .
O90 C134 Yb20 60.9(8) . .
C133 C134 Yb20 173.7(13) . .
C136 C135 H13H 109.5 . .
C136 C135 H13I 109.5 . .
H13H C135 H13I 109.5 . .
C136 C135 H13J 109.5 . .
H13H C135 H13J 109.5 . .
H13I C135 H13J 109.5 . .
O87 C136 O88 132(2) . .
O87 C136 C135 112(2) . .
O88 C136 C135 117(2) . .
O87 C136 Yb19 67.0(11) . .
O88 C136 Yb19 65.0(12) . .
C135 C136 Yb19 172.4(16) . .
C138 C137 H37K 109.5 . .
C138 C137 H37L 109.5 . .
H37K C137 H37L 109.5 . .
C138 C137 H37M 109.5 . .
H37K C137 H37M 109.5 . .
H37L C137 H37M 109.5 . .
O91 C138 O92 127(2) . .
O91 C138 C137 121(2) . .
O92 C138 C137 112.0(19) . .
O91 C138 Yb20 62.0(11) . .
O92 C138 Yb20 65.3(10) . .
C137 C138 Yb20 176.9(17) . .
C140 C139 H13K 109.5 . .
C140 C139 H13L 109.5 . .
H13K C139 H13L 109.5 . .
C140 C139 H13M 109.5 . .
H13K C139 H13M 109.5 . .
H13L C139 H13M 109.5 . .
O98 C140 O97 120.3(18) . .
O98 C140 C139 121.5(19) . .
O97 C140 C139 118.0(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O11 2.377(14) .
Yb1 O2 2.407(13) .
Yb1 O23 2.411(13) .
Yb1 O17 2.425(11) .
Yb1 O99 2.432(11) .
Yb1 O100 2.442(11) .
Yb1 O18 2.463(12) .
Yb1 O15 2.464(12) .
Yb1 O16 2.522(13) .
Yb1 C62 2.74(2) .
Yb1 C58 2.845(19) .
Yb1 Yb2 3.6346(13) .
Yb2 O25 2.341(12) .
Yb2 O99 2.392(10) .
Yb2 O100 2.438(11) .
Yb2 O21 2.464(12) .
Yb2 O20 2.467(12) .
Yb2 O19 2.483(13) .
Yb2 O23 2.491(12) .
Yb2 O24 2.500(13) .
Yb2 O115 2.500(12) .
Yb2 C64 2.836(18) .
Yb2 C66 2.842(15) .
Yb2 C60 2.87(2) .
Yb3 O99 2.323(12) .
Yb3 O98 2.328(11) 2_656
Yb3 O21 2.356(11) .
Yb3 O27 2.365(12) .
Yb3 O95 2.405(13) .
Yb3 O11 2.427(12) .
Yb3 O101 2.441(11) .
Yb3 O1 2.471(12) .
Yb3 Yb5 3.9701(14) .
Yb3 Yb4 3.9902(13) .
Yb4 O102 2.365(11) .
Yb4 O4 2.373(14) .
Yb4 O101 2.412(11) .
Yb4 O32 2.440(13) .
Yb4 O22 2.449(13) .
Yb4 O96 2.451(12) .
Yb4 O31 2.460(13) .
Yb4 O33 2.474(13) .
Yb4 O95 2.575(12) .
Yb4 C74 2.75(2) .
Yb4 C72 2.843(19) .
Yb4 Yb5 3.6112(14) .
Yb5 O102 2.352(11) .
Yb5 O101 2.404(11) .
Yb5 O35 2.410(13) .
Yb5 O30 2.422(11) .
Yb5 O29 2.464(11) .
Yb5 O28 2.468(12) .
Yb5 O27 2.498(11) .
Yb5 O34 2.517(13) .
Yb5 O33 2.518(11) .
Yb5 C70 2.85(2) .
Yb5 C78 2.856(19) .
Yb5 C76 2.88(2) .
Yb6 O26 2.334(13) .
Yb6 O102 2.336(12) .
Yb6 O39 2.374(11) .
Yb6 O37 2.374(12) .
Yb6 O30 2.406(11) .
Yb6 O103 2.437(10) .
Yb6 O22 2.456(12) .
Yb6 O3 2.513(13) .
Yb6 Yb8 3.9621(14) .
Yb6 Yb7 3.9806(14) .
Yb7 O6 2.387(13) .
Yb7 O42 2.397(13) .
Yb7 O103 2.416(10) .
Yb7 O43 2.418(14) .
Yb7 O119 2.420(10) .
Yb7 O116 2.422(13) .
Yb7 O41 2.460(13) .
Yb7 O38 2.503(13) .
Yb7 O37 2.551(12) .
Yb7 C84 2.72(2) .
Yb7 C80 2.95(3) .
Yb7 Yb8 3.6244(14) .
Yb8 O55 2.361(12) .
Yb8 O119 2.385(11) .
Yb8 O40 2.429(15) .
Yb8 O103 2.439(11) .
Yb8 O46 2.467(12) .
Yb8 O39 2.493(11) .
Yb8 O45 2.494(13) .
Yb8 O44 2.494(13) .
Yb8 O43 2.515(11) .
Yb8 C88 2.84(2) .
Yb8 C86 2.85(2) .
Yb8 C90 2.86(2) .
Yb9 O49 2.316(13) .
Yb9 O119 2.329(12) .
Yb9 O46 2.350(12) .
Yb9 O36 2.363(11) .
Yb9 O116 2.390(11) .
Yb9 O47 2.410(13) .
Yb9 O105 2.454(10) .
Yb9 O5 2.495(13) .
Yb9 Yb11 3.9552(14) .
Yb9 Yb10 4.0144(14) .
Yb10 O106 2.368(10) .
Yb10 O8 2.391(14) .
Yb10 O56 2.423(14) .
Yb10 O51 2.431(13) .
Yb10 O53 2.442(13) .
Yb10 O105 2.468(10) .
Yb10 O48 2.505(12) .
Yb10 O52 2.508(14) .
Yb10 O47 2.521(12) .
Yb10 C102 2.76(2) .
Yb10 C92 2.899(17) .
Yb10 Yb11 3.6336(14) .
Yb11 O59 2.375(11) .
Yb11 O106 2.379(12) .
Yb11 O105 2.459(11) .
Yb11 O58 2.461(12) .
Yb11 O57 2.480(13) .
Yb11 O49 2.486(12) .
Yb11 O50 2.489(13) .
Yb11 O53 2.513(13) .
Yb11 O54 2.514(12) .
Yb11 C94 2.79(2) .
Yb11 C98 2.794(19) .
Yb11 C100 2.85(2) .
Yb12 O106 2.349(12) .
Yb12 O117 2.349(13) .
Yb12 O56 2.375(12) .
Yb12 O63 2.383(13) .
Yb12 O58 2.384(12) .
Yb12 O61 2.388(13) .
Yb12 O107 2.488(11) .
Yb12 O7 2.524(13) .
Yb12 C31 3.19(2) .
Yb12 Yb14 3.9577(13) .
Yb13 O107 2.376(11) .
Yb13 O10 2.393(12) .
Yb13 O114 2.395(12) .
Yb13 O69 2.433(14) .
Yb13 O108 2.440(10) .
Yb13 O68 2.454(13) .
Yb13 O64 2.461(12) .
Yb13 O70 2.488(17) .
Yb13 O63 2.584(12) .
Yb13 C114 2.77(3) .
Yb13 C104 2.87(2) .
Yb13 Yb14 3.6267(14) .
Yb14 O108 2.368(11) .
Yb14 O81 2.369(12) .
Yb14 O107 2.427(10) .
Yb14 O66 2.481(12) .
Yb14 O61 2.482(12) .
Yb14 O65 2.484(12) .
Yb14 O67 2.491(13) .
Yb14 O62 2.511(15) .
Yb14 O68 2.559(12) .
Yb14 C112 2.86(2) .
Yb14 C108 2.89(2) .
Yb14 C110 2.91(2) .
Yb15 O108 2.346(11) .
Yb15 O60 2.351(11) .
Yb15 O66 2.354(12) .
Yb15 O71 2.366(13) .
Yb15 O109 2.388(11) .
Yb15 O114 2.409(11) .
Yb15 O73 2.417(12) .
Yb15 O9 2.513(14) .
Yb15 Yb17 3.9592(13) .
Yb15 Yb16 4.0165(14) .
Yb16 O118 2.350(13) .
Yb16 O12 2.408(12) .
Yb16 O109 2.415(11) .
Yb16 O110 2.422(11) .
Yb16 O78 2.425(14) .
Yb16 O80 2.471(14) .
Yb16 O72 2.481(12) .
Yb16 O79 2.491(13) .
Yb16 O71 2.520(12) .
Yb16 C126 2.76(2) .
Yb16 C118 2.87(2) .
Yb16 Yb17 3.6343(15) .
Yb17 O83 2.351(11) .
Yb17 O110 2.404(12) .
Yb17 O73 2.407(11) .
Yb17 O109 2.417(10) .
Yb17 O75 2.458(12) .
Yb17 O74 2.462(13) .
Yb17 O77 2.487(13) .
Yb17 O76 2.495(12) .
Yb17 O78 2.561(13) .
Yb17 C124 2.90(3) .
Yb17 C122 2.90(2) .
Yb17 C120 2.92(2) .
Yb18 O82 2.302(13) .
Yb18 O110 2.337(13) .
Yb18 O76 2.382(12) .
Yb18 O94 2.388(14) .
Yb18 O85 2.392(11) .
Yb18 O118 2.424(11) .
Yb18 O111 2.434(10) .
Yb18 O113 2.508(12) .
Yb18 Yb20 3.9666(13) .
Yb18 Yb19 3.9992(13) .
Yb19 O104 2.367(13) .
Yb19 O111 2.406(10) .
Yb19 O14 2.415(14) .
Yb19 O88 2.421(11) .
Yb19 O92 2.431(14) .
Yb19 O112 2.441(12) .
Yb19 O87 2.462(12) .
Yb19 O86 2.485(12) .
Yb19 O85 2.516(11) .
Yb19 C136 2.67(2) .
Yb19 C128 2.915(19) .
Yb19 Yb20 3.6271(15) .
Yb20 O112 2.352(12) .
Yb20 O97 2.368(12) .
Yb20 O111 2.432(11) .
Yb20 O94 2.455(12) .
Yb20 O90 2.466(11) .
Yb20 O93 2.471(12) .
Yb20 O89 2.475(11) .
Yb20 O91 2.483(13) .
Yb20 O92 2.554(12) .
Yb20 C138 2.81(2) .
Yb20 C134 2.821(17) .
Yb20 C130 2.85(2) .
Yb21 O84 2.312(12) .
Yb21 O90 2.335(12) .
Yb21 O112 2.352(12) .
Yb21 O16 2.384(12) 2_656
Yb21 O20 2.394(12) 2_656
Yb21 O104 2.405(13) .
Yb21 O100 2.427(12) 2_656
Yb21 O13 2.508(13) .
Yb21 Yb2 3.9496(13) 2_656
Yb21 Yb1 3.9985(13) 2_656
O1 C1 1.44(2) .
O1 C2 1.47(2) .
O2 C8 1.19(2) .
O3 C10 1.39(3) .
O3 C9 1.50(2) .
O4 C16 1.26(2) .
O5 C18 1.43(2) .
O5 C17 1.54(2) .
O6 C24 1.21(2) .
O7 C26 1.42(2) .
O7 C25 1.44(2) .
O8 C32 1.26(2) .
O9 C34 1.39(2) .
O9 C33 1.43(2) .
O10 C40 1.23(2) .
O11 C7 1.321(19) .
O12 C48 1.20(2) .
O13 C50 1.43(2) .
O13 C49 1.43(2) .
O14 C56 1.12(2) .
O15 C58 1.20(2) .
O16 C58 1.25(2) .
O16 Yb21 2.384(12) 2_656
O17 C62 1.24(2) .
O18 C62 1.24(2) .
O19 C60 1.23(2) .
O20 C60 1.31(2) .
O20 Yb21 2.394(12) 2_656
O21 C66 1.276(17) .
O22 C15 1.29(2) .
O23 C64 1.23(2) .
O24 C64 1.24(2) .
O25 C68 1.25(2) .
O26 C68 1.27(2) .
O27 C70 1.24(2) .
O28 C70 1.32(2) .
O29 C78 1.243(19) .
O30 C78 1.273(19) .
O31 C74 1.22(2) .
O32 C74 1.22(2) .
O33 C76 1.25(2) .
O34 C76 1.23(2) .
O35 C82 1.24(2) .
O36 C82 1.22(2) .
O37 C80 1.31(3) .
O38 C80 1.23(3) .
O39 C86 1.26(2) .
O40 C86 1.30(2) .
O41 C84 1.21(3) .
O42 C84 1.28(3) .
O43 C90 1.26(2) .
O44 C90 1.21(2) .
O45 C88 1.20(2) .
O46 C88 1.32(2) .
O47 C92 1.264(19) .
O48 C92 1.29(2) .
O49 C94 1.29(2) .
O50 C94 1.20(2) .
O51 C102 1.22(2) .
O52 C102 1.30(2) .
O53 C100 1.27(2) .
O54 C100 1.19(2) .
O55 C96 1.30(2) .
O56 C31 1.25(2) .
O57 C98 1.24(2) .
O58 C98 1.24(2) .
O59 C106 1.24(2) .
O60 C106 1.25(2) .
O61 C108 1.31(2) .
O62 C108 1.23(2) .
O63 C104 1.30(2) .
O64 C104 1.22(2) .
O65 C112 1.21(2) .
O66 C112 1.30(2) .
O67 C110 1.28(2) .
O68 C110 1.26(2) .
O69 C114 1.34(3) .
O70 C114 1.19(3) .
O71 C118 1.30(2) .
O72 C118 1.24(2) .
O73 C120 1.37(3) .
O74 C120 1.22(2) .
O75 C122 1.24(2) .
O76 C122 1.33(2) .
O77 C124 1.28(2) .
O78 C124 1.28(2) .
O79 C126 1.34(3) .
O80 C126 1.16(2) .
O81 C116 1.25(2) .
O82 C116 1.24(2) .
O83 C132 1.20(2) .
O84 C132 1.30(2) .
O85 C128 1.30(2) .
O86 C128 1.222(19) .
O87 C136 1.21(3) .
O88 C136 1.22(3) .
O89 C134 1.167(19) .
O90 C134 1.318(19) .
O91 C138 1.22(2) .
O92 C138 1.26(2) .
O93 C130 1.21(2) .
O94 C130 1.26(2) .
O95 C72 1.26(2) .
O96 C72 1.20(2) .
O97 C140 1.29(2) .
O98 C140 1.23(2) .
O98 Yb3 2.328(11) 2_656
O99 H99D 0.9800 .
O100 Yb21 2.428(12) 2_656
O100 H10Q 0.9800 .
O101 H10R 0.9800 .
O102 H10S 0.9800 .
O103 H10T 0.9800 .
O104 C55 1.34(2) .
O105 H10V 0.9800 .
O106 H10W 0.9800 .
O107 H10X 0.9800 .
O108 H10Y 0.9800 .
O109 H10Z 0.9800 .
O110 H11Q 0.9800 .
O111 H11R 0.9800 .
O112 H11S 0.9800 .
O113 C42 1.45(2) .
O113 C41 1.46(2) .
O114 C39 1.33(2) .
O115 C66 1.238(17) .
O116 C23 1.31(2) .
O117 C96 1.22(2) .
O118 C47 1.40(2) .
O119 H11T 0.9800 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.33(2) .
C2 C7 1.46(2) .
C3 C4 1.37(3) .
C3 H3A 0.9300 .
C4 C5 1.31(3) .
C4 H4A 0.9300 .
C5 C6 1.40(3) .
C5 H5A 0.9300 .
C6 C8 1.45(3) .
C6 C7 1.52(2) .
C8 H8A 0.9300 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.36(3) .
C10 C15 1.46(3) .
C11 C12 1.42(3) .
C11 H11A 0.9300 .
C12 C13 1.33(3) .
C12 H12A 0.9300 .
C13 C14 1.42(3) .
C13 H13A 0.9300 .
C14 C16 1.38(3) .
C14 C15 1.42(3) .
C16 H16A 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.32(2) .
C18 C23 1.37(3) .
C19 C20 1.42(3) .
C19 H19A 0.9300 .
C20 C21 1.32(3) .
C20 H20A 0.9300 .
C21 C22 1.39(3) .
C21 H21A 0.9300 .
C22 C23 1.44(3) .
C22 C24 1.45(3) .
C24 H24A 0.9300 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.37(3) .
C26 C31 1.47(3) .
C27 C28 1.40(3) .
C27 H27A 0.9300 .
C28 C29 1.39(3) .
C28 H28A 0.9300 .
C29 C30 1.40(2) .
C29 H29A 0.9300 .
C30 C32 1.38(2) .
C30 C31 1.41(3) .
C32 H32A 0.9300 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 C35 1.36(2) .
C34 C39 1.43(3) .
C35 C36 1.37(3) .
C35 H35A 0.9300 .
C36 C37 1.32(3) .
C36 H36A 0.9300 .
C37 C38 1.38(3) .
C37 H37A 0.9300 .
C38 C40 1.41(3) .
C38 C39 1.45(3) .
C40 H40A 0.9300 .
C41 H41C 0.9600 .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C42 C47 1.35(3) .
C42 C43 1.41(3) .
C43 C44 1.38(3) .
C43 H43A 0.9300 .
C44 C45 1.24(3) .
C44 H44A 0.9300 .
C45 C46 1.44(3) .
C45 H45A 0.9300 .
C46 C48 1.40(3) .
C46 C47 1.43(3) .
C48 H48A 0.9300 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 C51 1.41(3) .
C50 C55 1.43(3) .
C51 C52 1.40(3) .
C51 H51A 0.9300 .
C52 C53 1.37(3) .
C52 H52A 0.9300 .
C53 C54 1.41(3) .
C53 H53A 0.9300 .
C54 C55 1.36(3) .
C54 C56 1.52(3) .
C56 H56A 0.9300 .
C57 C58 1.52(2) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C59 C60 1.52(3) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C61 C62 1.59(3) .
C61 H61A 0.9600 .
C61 H61B 0.9600 .
C61 H61C 0.9600 .
C63 C64 1.45(2) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C65 C66 1.52(2) .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C67 C68 1.49(3) .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C69 C70 1.51(3) .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C71 C72 1.53(2) .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C73 C74 1.51(3) .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C75 C76 1.52(3) .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
C77 C78 1.52(2) .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C79 C80 1.42(3) .
C79 H79A 0.9600 .
C79 H79B 0.9600 .
C79 H79C 0.9600 .
C81 C82 1.53(3) .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
C83 C84 1.58(3) .
C83 H83A 0.9600 .
C83 H83B 0.9600 .
C83 H83C 0.9600 .
C85 C86 1.49(3) .
C85 H85A 0.9600 .
C85 H85B 0.9600 .
C85 H85C 0.9600 .
C87 C88 1.57(3) .
C87 H87A 0.9600 .
C87 H87B 0.9600 .
C87 H87C 0.9600 .
C89 C90 1.49(3) .
C89 H89A 0.9600 .
C89 H89B 0.9600 .
C89 H89C 0.9600 .
C91 C92 1.49(2) .
C91 H91A 0.9600 .
C91 H91B 0.9600 .
C91 H91C 0.9600 .
C93 C94 1.58(3) .
C93 H93A 0.9600 .
C93 H93B 0.9600 .
C93 H93C 0.9600 .
C95 C96 1.49(3) .
C95 H95A 0.9600 .
C95 H95B 0.9600 .
C95 H95C 0.9600 .
C97 C98 1.57(2) .
C97 H97A 0.9600 .
C97 H97B 0.9600 .
C97 H97C 0.9600 .
C99 C100 1.51(3) .
C99 H99A 0.9600 .
C99 H99B 0.9600 .
C99 H99C 0.9600 .
C101 C102 1.54(3) .
C101 H10A 0.9600 .
C101 H10B 0.9600 .
C101 H10C 0.9600 .
C103 C104 1.48(3) .
C103 H10D 0.9600 .
C103 H10E 0.9600 .
C103 H10F 0.9600 .
C105 C106 1.47(2) .
C105 H10G 0.9600 .
C105 H10H 0.9600 .
C105 H10I 0.9600 .
C107 C108 1.51(3) .
C107 H10J 0.9600 .
C107 H10K 0.9600 .
C107 H10L 0.9600 .
C109 C110 1.51(3) .
C109 H10M 0.9600 .
C109 H10N 0.9600 .
C109 H10O 0.9600 .
C111 C112 1.51(2) .
C111 H11B 0.9600 .
C111 H11C 0.9600 .
C111 H11D 0.9600 .
C113 C114 1.58(3) .
C113 H11E 0.9600 .
C113 H11F 0.9600 .
C113 H11G 0.9600 .
C115 C116 1.55(3) .
C115 H11H 0.9600 .
C115 H11I 0.9600 .
C115 H11J 0.9600 .
C117 C118 1.56(3) .
C117 H11K 0.9600 .
C117 H11L 0.9600 .
C117 H11M 0.9600 .
C119 C120 1.50(3) .
C119 H11N 0.9600 .
C119 H11O 0.9600 .
C119 H11P 0.9600 .
C121 C122 1.45(3) .
C121 H12B 0.9600 .
C121 H12C 0.9600 .
C121 H12D 0.9600 .
C123 C124 1.53(3) .
C123 H23E 0.9600 .
C123 H23F 0.9600 .
C123 H23G 0.9600 .
C125 C126 1.54(3) .
C125 H12E 0.9600 .
C125 H12F 0.9600 .
C125 H12G 0.9600 .
C127 C128 1.53(2) .
C127 H27H 0.9600 .
C127 H27I 0.9600 .
C127 H27J 0.9600 .
C129 C130 1.54(2) .
C129 H12H 0.9600 .
C129 H12I 0.9600 .
C129 H12J 0.9600 .
C131 C132 1.52(2) .
C131 H13B 0.9600 .
C131 H13C 0.9600 .
C131 H13D 0.9600 .
C133 C134 1.53(2) .
C133 H13E 0.9600 .
C133 H13F 0.9600 .
C133 H13G 0.9600 .
C135 C136 1.60(3) .
C135 H13H 0.9600 .
C135 H13I 0.9600 .
C135 H13J 0.9600 .
C137 C138 1.51(3) .
C137 H37K 0.9600 .
C137 H37L 0.9600 .
C137 H37M 0.9600 .
C139 C140 1.46(2) .
C139 H13K 0.9600 .
C139 H13L 0.9600 .
C139 H13M 0.9600 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.821 -0.054 0.262 7455 3748 ' '
