#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:25:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179895 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/91/7019173.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_7019173
loop_
_publ_author_name
'Lin, Yiji'
'Zou, Fang'
'Wan, Shigang'
'Ouyang, Jie'
'Lin, Lirong'
'Zhang, Hui'
_publ_section_title
;
 Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes
 capped with an alkali metal cation in solution.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6696
_journal_page_last               6706
_journal_paper_doi               10.1039/c2dt30431g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C56 H58 Cs F28 N0 O9 Yb'
_chemical_formula_weight         1712.97
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   50.055(10)
_cell_length_b                   10.180(2)
_cell_length_c                   25.983(5)
_cell_measurement_reflns_used    60189
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.07
_cell_measurement_theta_min      6.09
_cell_volume                     13122(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1414
_diffrn_reflns_av_sigmaI/netI    0.1308
_diffrn_reflns_limit_h_max       61
_diffrn_reflns_limit_h_min       -61
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            83777
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.05
_diffrn_standards_interval_time  0.198
_diffrn_standards_number         15844
_exptl_absorpt_coefficient_mu    2.103
_exptl_absorpt_correction_T_max  0.889
_exptl_absorpt_correction_T_min  0.574
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             6744
_exptl_crystal_size_max          0.766
_exptl_crystal_size_mid          0.224
_exptl_crystal_size_min          0.056
_refine_diff_density_max         4.322
_refine_diff_density_min         -1.765
_refine_diff_density_rms         0.144
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.022(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1733
_refine_ls_number_reflns         24355
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1195
_refine_ls_R_factor_gt           0.0707
_refine_ls_shift/su_max          0.052
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0935P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.2052
_reflns_number_gt                14751
_reflns_number_total             24355
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30431g.txt
_cod_data_source_block           beta-5
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               7019173
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
C1 C 0.5821(3) 0.1969(16) 0.5232(6) 0.055(4) Uani 1 1 d .
C2 C 0.5810(3) 0.0757(15) 0.4939(5) 0.046(4) Uani 1 1 d .
C3 C 0.5951(3) -0.0337(17) 0.5150(5) 0.052(3) Uani 1 1 d .
C4 C 0.5916(3) -0.1657(16) 0.4876(5) 0.062(4) Uani 1 1 d .
C5 C 0.6124(3) -0.1972(15) 0.4500(6) 0.066(4) Uani 1 1 d .
C6 C 0.6417(4) -0.1890(17) 0.4707(7) 0.069(5) Uani 1 1 d .
C7 C 0.5694(3) 0.4389(15) 0.5015(7) 0.073(5) Uani 1 1 d .
H7A H 0.5663 0.4544 0.5367 0.109 Uiso 1 1 calc R
H7B H 0.5569 0.4900 0.4784 0.109 Uiso 1 1 calc R
H7C H 0.5875 0.4638 0.4976 0.109 Uiso 1 1 calc R
C8 C 0.5654(3) 0.2948(13) 0.4888(6) 0.053(4) Uani 1 1 d .
C9 C 0.5356(3) 0.2459(17) 0.4897(5) 0.067(4) Uani 1 1 d .
H9A H 0.5319 0.2312 0.5250 0.080 Uiso 1 1 calc R
H9B H 0.5227 0.3091 0.4731 0.080 Uiso 1 1 calc R
C10 C 0.5342(2) 0.1166(16) 0.4591(5) 0.060(4) Uani 1 1 d .
H10A H 0.5212 0.1226 0.4280 0.072 Uiso 1 1 calc R
H10B H 0.5293 0.0442 0.4802 0.072 Uiso 1 1 calc R
C11 C 0.5628(3) 0.0979(15) 0.4449(5) 0.055(4) Uani 1 1 d .
H11 H 0.5644 0.0339 0.4173 0.066 Uiso 1 1 calc R
C12 C 0.5711(3) 0.2435(18) 0.4327(5) 0.067(4) Uani 1 1 d .
C13 C 0.6004(3) 0.266(2) 0.4249(6) 0.083(5) Uani 1 1 d .
H13A H 0.6045 0.2147 0.3958 0.125 Uiso 1 1 calc R
H13B H 0.6120 0.2389 0.4555 0.125 Uiso 1 1 calc R
H13C H 0.6032 0.3570 0.4184 0.125 Uiso 1 1 calc R
C14 C 0.5532(3) 0.3081(18) 0.3880(6) 0.082(5) Uani 1 1 d .
H14A H 0.5547 0.4019 0.3911 0.123 Uiso 1 1 calc R
H14B H 0.5348 0.2825 0.3890 0.123 Uiso 1 1 calc R
H14C H 0.5587 0.2808 0.3557 0.123 Uiso 1 1 calc R
C15 C 0.6701(3) 0.2107(14) 0.5481(5) 0.052(3) Uani 1 1 d .
C16 C 0.6907(3) 0.115(2) 0.5644(5) 0.059(4) Uani 1 1 d .
C17 C 0.6851(3) 0.0070(15) 0.5929(5) 0.059(4) Uani 1 1 d .
C18 C 0.7056(3) -0.1034(19) 0.6037(5) 0.066(4) Uani 1 1 d .
C19 C 0.7246(3) -0.0832(19) 0.6549(7) 0.067(4) Uani 1 1 d .
C20 C 0.7465(4) -0.192(3) 0.6650(8) 0.095(7) Uani 1 1 d .
C21 C 0.6671(3) 0.4352(13) 0.5020(7) 0.071(5) Uani 1 1 d .
H21A H 0.6488 0.4181 0.4871 0.107 Uiso 1 1 calc R
H21B H 0.6757 0.4896 0.4789 0.107 Uiso 1 1 calc R
H21C H 0.6671 0.4796 0.5346 0.107 Uiso 1 1 calc R
C22 C 0.6820(3) 0.3082(16) 0.5105(6) 0.064(4) Uani 1 1 d .
C23 C 0.6853(3) 0.2186(15) 0.4630(5) 0.067(4) Uani 1 1 d .
H23A H 0.6685 0.1726 0.4517 0.080 Uiso 1 1 calc R
H23B H 0.6899 0.2711 0.4343 0.080 Uiso 1 1 calc R
C24 C 0.7078(3) 0.1201(19) 0.4804(5) 0.073(5) Uani 1 1 d .
H24A H 0.7231 0.1323 0.4616 0.088 Uiso 1 1 calc R
H24B H 0.7015 0.0302 0.4762 0.088 Uiso 1 1 calc R
C25 C 0.7149(3) 0.1583(18) 0.5399(6) 0.063(4) Uani 1 1 d .
H25 H 0.7324 0.1277 0.5571 0.076 Uiso 1 1 calc R
C26 C 0.7111(3) 0.309(2) 0.5370(7) 0.074(5) Uani 1 1 d .
C27 C 0.7143(3) 0.3698(17) 0.5934(6) 0.075(5) Uani 1 1 d .
H27A H 0.7304 0.3357 0.6134 0.113 Uiso 1 1 calc R
H27B H 0.6989 0.3472 0.6101 0.113 Uiso 1 1 calc R
H27C H 0.7157 0.4636 0.5911 0.113 Uiso 1 1 calc R
C28 C 0.7312(3) 0.3763(19) 0.5078(6) 0.079(5) Uani 1 1 d .
H28A H 0.7490 0.3476 0.5211 0.119 Uiso 1 1 calc R
H28B H 0.7299 0.4696 0.5122 0.119 Uiso 1 1 calc R
H28C H 0.7274 0.3549 0.4716 0.119 Uiso 1 1 calc R
C29 C 0.6678(2) 0.2522(15) 0.7120(5) 0.049(3) Uani 1 1 d .
C30 C 0.6700(3) 0.1505(18) 0.7486(5) 0.056(4) Uani 1 1 d .
C31 C 0.6576(3) 0.0329(16) 0.7384(5) 0.055(4) Uani 1 1 d .
C32 C 0.6630(3) -0.0873(14) 0.7757(5) 0.054(4) Uani 1 1 d .
C33 C 0.6425(3) -0.1061(16) 0.8149(6) 0.062(4) Uani 1 1 d .
C34 C 0.6127(3) -0.1230(18) 0.7924(6) 0.068(4) Uani 1 1 d .
C35 C 0.6763(3) 0.5020(15) 0.7128(7) 0.076(5) Uani 1 1 d .
H35A H 0.6908 0.5072 0.6917 0.091 Uiso 1 1 calc R
H35B H 0.6823 0.5579 0.7423 0.091 Uiso 1 1 calc R
C36 C 0.6834(3) 0.3701(14) 0.7382(6) 0.055(4) Uani 1 1 d .
C37 C 0.7131(3) 0.3246(16) 0.7404(6) 0.066(4) Uani 1 1 d .
H37A H 0.7254 0.3962 0.7510 0.079 Uiso 1 1 calc R
H37B H 0.7166 0.2927 0.7068 0.079 Uiso 1 1 calc R
C38 C 0.7163(3) 0.2115(16) 0.7816(6) 0.066(4) Uani 1 1 d .
H38A H 0.7221 0.1305 0.7669 0.079 Uiso 1 1 calc R
H38B H 0.7290 0.2351 0.8117 0.079 Uiso 1 1 calc R
C39 C 0.6872(3) 0.1993(14) 0.7956(5) 0.055(4) Uani 1 1 d .
H39 H 0.6855 0.1518 0.8278 0.066 Uiso 1 1 calc R
C40 C 0.6777(3) 0.3473(17) 0.7943(7) 0.067(5) Uani 1 1 d .
C41 C 0.6483(3) 0.364(2) 0.8015(7) 0.088(6) Uani 1 1 d .
H41A H 0.6441 0.4563 0.8025 0.132 Uiso 1 1 calc R
H41B H 0.6451 0.3240 0.8336 0.132 Uiso 1 1 calc R
H41C H 0.6371 0.3235 0.7732 0.132 Uiso 1 1 calc R
C42 C 0.6947(3) 0.4353(17) 0.8354(6) 0.081(5) Uani 1 1 d .
H42A H 0.7134 0.4302 0.8308 0.122 Uiso 1 1 calc R
H42B H 0.6925 0.4052 0.8696 0.122 Uiso 1 1 calc R
H42C H 0.6887 0.5246 0.8313 0.122 Uiso 1 1 calc R
C43 C 0.5811(3) 0.2425(14) 0.6878(5) 0.051(4) Uani 1 1 d .
C44 C 0.5625(3) 0.1318(14) 0.6832(5) 0.048(3) Uani 1 1 d .
C45 C 0.5690(3) 0.0189(13) 0.6623(5) 0.044(3) Uani 1 1 d .
C46 C 0.5500(3) -0.0979(16) 0.6596(6) 0.060(4) Uani 1 1 d .
C47 C 0.5314(4) -0.1201(19) 0.6083(7) 0.080(4) Uani 1 1 d U
C48 C 0.5096(4) -0.2093(15) 0.5999(6) 0.087(5) Uani 1 1 d DU
C49 C 0.5812(3) 0.4857(13) 0.7136(6) 0.066(4) Uani 1 1 d .
H49A H 0.5700 0.5511 0.7266 0.099 Uiso 1 1 calc R
H49B H 0.5827 0.5038 0.6778 0.099 Uiso 1 1 calc R
H49C H 0.5988 0.4876 0.7335 0.099 Uiso 1 1 calc R
C50 C 0.5687(3) 0.3506(13) 0.7181(6) 0.057(4) Uani 1 1 d .
C51 C 0.5679(3) 0.2950(14) 0.7717(5) 0.056(4) Uani 1 1 d .
H51A H 0.5629 0.3628 0.7948 0.067 Uiso 1 1 calc R
H51B H 0.5855 0.2610 0.7857 0.067 Uiso 1 1 calc R
C52 C 0.5464(3) 0.1816(15) 0.7664(6) 0.070(5) Uani 1 1 d .
H52A H 0.5543 0.0981 0.7784 0.084 Uiso 1 1 calc R
H52B H 0.5313 0.2015 0.7850 0.084 Uiso 1 1 calc R
C53 C 0.5382(3) 0.1832(15) 0.7075(6) 0.060(4) Uani 1 1 d .
H53 H 0.5213 0.1370 0.6959 0.072 Uiso 1 1 calc R
C54 C 0.5381(3) 0.3322(16) 0.6913(6) 0.059(4) Uani 1 1 d .
C55 C 0.5330(3) 0.3537(14) 0.6350(6) 0.066(4) Uani 1 1 d .
H55A H 0.5163 0.3131 0.6213 0.099 Uiso 1 1 calc R
H55B H 0.5474 0.3158 0.6190 0.099 Uiso 1 1 calc R
H55C H 0.5321 0.4463 0.6280 0.099 Uiso 1 1 calc R
C56 C 0.5174(3) 0.4082(18) 0.7189(7) 0.084(5) Uani 1 1 d .
H56A H 0.5193 0.5007 0.7132 0.126 Uiso 1 1 calc R
H56B H 0.5206 0.3903 0.7555 0.126 Uiso 1 1 calc R
H56C H 0.4995 0.3809 0.7052 0.126 Uiso 1 1 calc R
C57 C 0.6703(3) 0.8547(14) 0.2197(5) 0.049(3) Uani 1 1 d .
C58 C 0.6704(3) 0.7400(16) 0.2506(5) 0.052(4) Uani 1 1 d .
C59 C 0.6567(3) 0.6322(17) 0.2341(5) 0.059(4) Uani 1 1 d .
C60 C 0.6598(4) 0.4995(14) 0.2629(7) 0.066(4) Uani 1 1 d .
C61 C 0.6407(5) 0.477(2) 0.3037(9) 0.102(7) Uani 1 1 d .
C62 C 0.6128(5) 0.497(3) 0.2907(13) 0.136(11) Uani 1 1 d .
C63 C 0.6845(3) 1.0976(16) 0.2334(6) 0.077(5) Uani 1 1 d .
H63A H 0.6884 1.1061 0.1984 0.116 Uiso 1 1 calc R
H63B H 0.6965 1.1523 0.2559 0.116 Uiso 1 1 calc R
H63C H 0.6662 1.1244 0.2350 0.116 Uiso 1 1 calc R
C64 C 0.6881(3) 0.9530(16) 0.2509(5) 0.054(4) Uani 1 1 d .
C65 C 0.7172(3) 0.8981(17) 0.2506(6) 0.068(4) Uani 1 1 d .
H65A H 0.7204 0.8747 0.2157 0.081 Uiso 1 1 calc R
H65B H 0.7307 0.9617 0.2647 0.081 Uiso 1 1 calc R
C66 C 0.7177(3) 0.7766(15) 0.2853(6) 0.062(4) Uani 1 1 d .
H66A H 0.7310 0.7859 0.3158 0.074 Uiso 1 1 calc R
H66B H 0.7217 0.6982 0.2666 0.074 Uiso 1 1 calc R
C67 C 0.6884(3) 0.7706(17) 0.3006(6) 0.064(4) Uani 1 1 d .
H67 H 0.6861 0.7142 0.3302 0.077 Uiso 1 1 calc R
C68 C 0.6822(3) 0.9178(16) 0.3071(6) 0.057(4) Uani 1 1 d .
C69 C 0.6536(3) 0.9467(17) 0.3165(6) 0.064(4) Uani 1 1 d .
H69A H 0.6413 0.9212 0.2866 0.096 Uiso 1 1 calc R
H69B H 0.6517 1.0390 0.3227 0.096 Uiso 1 1 calc R
H69C H 0.6496 0.8982 0.3463 0.096 Uiso 1 1 calc R
C70 C 0.7013(3) 0.9872(18) 0.3509(5) 0.078(5) Uani 1 1 d .
H70A H 0.6999 1.0807 0.3464 0.117 Uiso 1 1 calc R
H70B H 0.7195 0.9602 0.3493 0.117 Uiso 1 1 calc R
H70C H 0.6963 0.9636 0.3841 0.117 Uiso 1 1 calc R
C71 C 0.5822(3) 0.8704(17) 0.2017(5) 0.061(4) Uani 1 1 d .
C72 C 0.5627(3) 0.7649(18) 0.1910(6) 0.057(4) Uani 1 1 d .
C73 C 0.5679(3) 0.6569(17) 0.1646(6) 0.062(4) Uani 1 1 d .
C74 C 0.5479(3) 0.540(2) 0.1569(6) 0.077(5) Uani 1 1 d .
C75 C 0.5268(4) 0.543(2) 0.1084(7) 0.085(5) Uani 1 1 d .
C76 C 0.5060(4) 0.442(3) 0.0984(9) 0.095(7) Uani 1 1 d .
C77 C 0.5842(4) 1.1035(18) 0.2410(7) 0.089(5) Uani 1 1 d .
H77A H 0.6032 1.0933 0.2516 0.134 Uiso 1 1 calc R
H77B H 0.5766 1.1559 0.2661 0.134 Uiso 1 1 calc R
H77C H 0.5813 1.1461 0.2078 0.134 Uiso 1 1 calc R
C78 C 0.5705(3) 0.966(2) 0.2371(6) 0.071(4) Uani 1 1 d .
C79 C 0.5707(4) 0.891(2) 0.2891(6) 0.092(5) Uani 1 1 d U
H79A H 0.5882 0.8520 0.2997 0.110 Uiso 1 1 calc R
H79B H 0.5666 0.9508 0.3162 0.110 Uiso 1 1 calc R
C80 C 0.5492(3) 0.786(2) 0.2790(6) 0.091(6) Uani 1 1 d U
H80A H 0.5349 0.7997 0.3002 0.109 Uiso 1 1 calc R
H80B H 0.5568 0.6992 0.2854 0.109 Uiso 1 1 calc R
C81 C 0.5390(3) 0.808(2) 0.2196(6) 0.077(5) Uani 1 1 d .
H81 H 0.5214 0.7689 0.2070 0.093 Uiso 1 1 calc R
C82 C 0.5404(3) 0.959(2) 0.2157(7) 0.070(4) Uani 1 1 d .
C83 C 0.5341(3) 1.0098(18) 0.1580(6) 0.083(6) Uani 1 1 d .
H83A H 0.5423 1.0945 0.1552 0.125 Uiso 1 1 calc R
H83B H 0.5150 1.0168 0.1485 0.125 Uiso 1 1 calc R
H83C H 0.5414 0.9491 0.1351 0.125 Uiso 1 1 calc R
C84 C 0.5210(4) 1.037(2) 0.2462(7) 0.112(7) Uani 1 1 d .
H84A H 0.5249 1.0164 0.2825 0.168 Uiso 1 1 calc R
H84B H 0.5027 1.0130 0.2339 0.168 Uiso 1 1 calc R
H84C H 0.5234 1.1293 0.2412 0.168 Uiso 1 1 calc R
C85 C 0.5815(3) 0.9057(14) 0.0370(5) 0.049(3) Uani 1 1 d .
C86 C 0.5795(3) 0.8050(16) -0.0001(6) 0.058(5) Uani 1 1 d .
C87 C 0.5916(3) 0.6836(16) 0.0096(6) 0.058(4) Uani 1 1 d .
C88 C 0.5844(3) 0.5650(17) -0.0264(6) 0.073(5) Uani 1 1 d .
C89 C 0.6049(4) 0.537(2) -0.0662(7) 0.089(6) Uani 1 1 d .
C90 C 0.6335(6) 0.518(3) -0.0486(10) 0.129(10) Uani 1 1 d .
C91 C 0.5712(3) 1.1530(18) 0.0385(6) 0.077(5) Uani 1 1 d .
H91A H 0.5571 1.1532 0.0608 0.093 Uiso 1 1 calc R
H91B H 0.5643 1.2101 0.0099 0.093 Uiso 1 1 calc R
C92 C 0.5653(3) 1.0191(13) 0.0119(5) 0.049(3) Uani 1 1 d .
C93 C 0.5357(3) 0.9659(17) 0.0084(6) 0.076(5) Uani 1 1 d .
H93A H 0.5324 0.9307 0.0417 0.091 Uiso 1 1 calc R
H93B H 0.5229 1.0360 -0.0013 0.091 Uiso 1 1 calc R
C94 C 0.5327(3) 0.857(2) -0.0330(7) 0.085(5) Uani 1 1 d .
H94A H 0.5195 0.8807 -0.0623 0.102 Uiso 1 1 calc R
H94B H 0.5278 0.7741 -0.0187 0.102 Uiso 1 1 calc R
C95 C 0.5619(3) 0.8536(17) -0.0485(6) 0.068(4) Uani 1 1 d .
H95 H 0.5639 0.8080 -0.0810 0.081 Uiso 1 1 calc R
C96 C 0.5696(4) 1.0030(15) -0.0459(6) 0.065(5) Uani 1 1 d .
C97 C 0.5992(3) 1.0263(18) -0.0538(6) 0.080(5) Uani 1 1 d .
H97A H 0.6107 0.9700 -0.0310 0.119 Uiso 1 1 calc R
H97B H 0.6039 1.1163 -0.0463 0.119 Uiso 1 1 calc R
H97C H 0.6015 1.0070 -0.0892 0.119 Uiso 1 1 calc R
C98 C 0.5520(4) 1.0887(18) -0.0854(6) 0.091(6) Uani 1 1 d .
H98A H 0.5519 1.0528 -0.1195 0.137 Uiso 1 1 calc R
H98B H 0.5591 1.1764 -0.0844 0.137 Uiso 1 1 calc R
H98C H 0.5339 1.0905 -0.0768 0.137 Uiso 1 1 calc R
C99 C 0.6695(3) 0.8754(15) 0.0535(5) 0.051(3) Uani 1 1 d .
C100 C 0.6862(3) 0.7615(15) 0.0569(5) 0.055(4) Uani 1 1 d .
C101 C 0.6795(3) 0.6493(16) 0.0807(6) 0.056(4) Uani 1 1 d .
C102 C 0.6970(3) 0.5279(19) 0.0818(6) 0.071(5) Uani 1 1 d .
C103 C 0.7178(3) 0.5148(18) 0.1310(8) 0.080(5) Uani 1 1 d .
C104 C 0.7357(4) 0.403(2) 0.1416(7) 0.083(5) Uani 1 1 d U
C105 C 0.6723(3) 1.1148(16) 0.0282(6) 0.072(4) Uani 1 1 d .
H10G H 0.6539 1.1188 0.0123 0.107 Uiso 1 1 calc R
H10H H 0.6829 1.1758 0.0113 0.107 Uiso 1 1 calc R
H10I H 0.6733 1.1369 0.0643 0.107 Uiso 1 1 calc R
C106 C 0.6826(4) 0.9827(18) 0.0231(6) 0.070(4) Uani 1 1 d .
C107 C 0.6806(4) 0.9259(19) -0.0317(6) 0.085(6) Uani 1 1 d .
H10E H 0.6863 0.9908 -0.0553 0.102 Uiso 1 1 calc R
H10F H 0.6622 0.9011 -0.0438 0.102 Uiso 1 1 calc R
C108 C 0.6992(4) 0.804(2) -0.0295(7) 0.090(6) Uani 1 1 d .
H10C H 0.6892 0.7256 -0.0413 0.108 Uiso 1 1 calc R
H10D H 0.7138 0.8167 -0.0499 0.108 Uiso 1 1 calc R
C109 C 0.7094(3) 0.7978(19) 0.0289(7) 0.080(5) Uani 1 1 d .
H109 H 0.7256 0.7440 0.0379 0.096 Uiso 1 1 calc R
C110 C 0.7133(3) 0.9521(16) 0.0443(7) 0.068(5) Uani 1 1 d .
C111 C 0.7198(4) 0.977(2) 0.1028(6) 0.093(6) Uani 1 1 d .
H11D H 0.7372 0.9408 0.1151 0.139 Uiso 1 1 calc R
H11E H 0.7064 0.9348 0.1205 0.139 Uiso 1 1 calc R
H11F H 0.7198 1.0693 0.1094 0.139 Uiso 1 1 calc R
C112 C 0.7328(3) 1.0247(19) 0.0160(7) 0.092(6) Uani 1 1 d .
H11A H 0.7347 1.1129 0.0290 0.139 Uiso 1 1 calc R
H11B H 0.7262 1.0266 -0.0204 0.139 Uiso 1 1 calc R
H11C H 0.7499 0.9812 0.0213 0.139 Uiso 1 1 calc R
Cs1 Cs 0.62750(2) -0.25706(10) 0.63605(4) 0.0682(3) Uani 1 1 d .
Cs2 Cs 0.62095(2) 0.39264(11) 0.11580(4) 0.0717(3) Uani 1 1 d .
F1 F 0.56694(17) -0.1790(9) 0.4587(4) 0.072(3) Uani 1 1 d .
F2 F 0.59349(17) -0.2637(8) 0.5227(3) 0.066(2) Uani 1 1 d .
F3 F 0.60773(17) -0.1137(10) 0.4088(3) 0.071(2) Uani 1 1 d .
F4 F 0.6072(2) -0.3199(10) 0.4309(4) 0.087(3) Uani 1 1 d .
F5 F 0.65710(18) -0.2358(10) 0.4360(3) 0.081(3) Uani 1 1 d .
F6 F 0.64790(19) -0.2572(10) 0.5147(3) 0.083(3) Uani 1 1 d .
F7 F 0.64940(17) -0.0670(10) 0.4802(4) 0.082(3) Uani 1 1 d .
F8 F 0.69211(18) -0.2206(9) 0.6066(4) 0.074(2) Uani 1 1 d .
F9 F 0.72082(17) -0.1171(10) 0.5653(3) 0.079(3) Uani 1 1 d .
F10 F 0.7370(2) 0.0259(12) 0.6534(5) 0.107(4) Uani 1 1 d .
F11 F 0.7100(2) -0.0838(13) 0.6930(3) 0.105(4) Uani 1 1 d .
F12 F 0.7371(3) -0.3082(16) 0.6690(8) 0.195(9) Uani 1 1 d .
F13 F 0.7603(2) -0.1657(14) 0.7119(5) 0.122(4) Uani 1 1 d .
F14 F 0.7630(3) -0.190(2) 0.6355(5) 0.201(10) Uani 1 1 d .
F15 F 0.6628(2) -0.2003(9) 0.7480(3) 0.072(3) Uani 1 1 d .
F16 F 0.68719(17) -0.0759(10) 0.8052(4) 0.075(3) Uani 1 1 d .
F17 F 0.6439(2) -0.0007(10) 0.8466(3) 0.082(3) Uani 1 1 d .
F18 F 0.6491(2) -0.2111(10) 0.8435(4) 0.090(3) Uani 1 1 d .
F19 F 0.5979(2) -0.1526(12) 0.8296(4) 0.102(3) Uani 1 1 d .
F20 F 0.6091(2) -0.2158(13) 0.7559(4) 0.110(4) Uani 1 1 d .
F21 F 0.6031(2) -0.0118(12) 0.7710(4) 0.094(3) Uani 1 1 d .
F22 F 0.56371(19) -0.2140(8) 0.6675(4) 0.083(3) Uani 1 1 d .
F23 F 0.5338(2) -0.0972(11) 0.6976(4) 0.107(4) Uani 1 1 d .
F24 F 0.5475(3) -0.167(2) 0.5722(5) 0.179(8) Uani 1 1 d .
F25 F 0.5274(3) -0.0145(14) 0.5820(5) 0.144(6) Uani 1 1 d .
F26 F 0.4971(3) -0.2247(12) 0.5548(4) 0.129(5) Uani 1 1 d D
F27 F 0.4937(5) -0.113(2) 0.6206(6) 0.40(2) Uani 1 1 d D
F28 F 0.5102(2) -0.3075(10) 0.6297(5) 0.129(5) Uani 1 1 d D
F29 F 0.6850(2) 0.4909(10) 0.2910(4) 0.085(3) Uani 1 1 d .
F30 F 0.6577(2) 0.3976(10) 0.2294(4) 0.092(3) Uani 1 1 d .
F31 F 0.6439(3) 0.3463(13) 0.3212(5) 0.124(5) Uani 1 1 d .
F32 F 0.6472(3) 0.5559(15) 0.3459(4) 0.116(4) Uani 1 1 d .
F33 F 0.6045(3) 0.4227(17) 0.2463(6) 0.151(7) Uani 1 1 d .
F34 F 0.5977(3) 0.4612(17) 0.3260(5) 0.160(7) Uani 1 1 d .
F35 F 0.6067(2) 0.6215(14) 0.2780(5) 0.130(5) Uani 1 1 d .
F36 F 0.56105(18) 0.4262(9) 0.1537(4) 0.077(3) Uani 1 1 d .
F37 F 0.5342(2) 0.5303(11) 0.1978(4) 0.087(3) Uani 1 1 d .
F38 F 0.5403(2) 0.5480(16) 0.0654(4) 0.135(5) Uani 1 1 d .
F39 F 0.5129(3) 0.6597(13) 0.1073(5) 0.133(5) Uani 1 1 d .
F40 F 0.4897(2) 0.4600(13) 0.0542(5) 0.126(4) Uani 1 1 d .
F41 F 0.4924(4) 0.439(3) 0.1345(7) 0.240(13) Uani 1 1 d .
F42 F 0.5173(3) 0.3237(19) 0.0948(9) 0.196(9) Uani 1 1 d .
F43 F 0.5840(2) 0.4537(9) 0.0009(4) 0.080(3) Uani 1 1 d .
F44 F 0.5609(2) 0.5801(10) -0.0563(4) 0.089(3) Uani 1 1 d .
F45 F 0.5979(3) 0.4200(12) -0.0922(5) 0.116(4) Uani 1 1 d .
F46 F 0.6029(3) 0.6310(15) -0.1023(5) 0.136(5) Uani 1 1 d .
F47 F 0.6480(3) 0.4906(19) -0.0846(5) 0.171(7) Uani 1 1 d .
F48 F 0.6372(3) 0.441(2) -0.0093(6) 0.163(8) Uani 1 1 d .
F49 F 0.6423(3) 0.637(2) -0.0303(6) 0.175(8) Uani 1 1 d .
F50 F 0.7093(2) 0.5180(11) 0.0391(4) 0.104(4) Uani 1 1 d .
F51 F 0.68172(18) 0.4163(9) 0.0824(4) 0.078(3) Uani 1 1 d .
F52 F 0.7385(3) 0.6077(14) 0.1180(7) 0.170(7) Uani 1 1 d .
F53 F 0.7092(3) 0.555(2) 0.1704(4) 0.209(11) Uani 1 1 d .
F54 F 0.7535(3) 0.4055(13) 0.1813(6) 0.134(5) Uani 1 1 d .
F55 F 0.7400(3) 0.3373(14) 0.1035(6) 0.147(5) Uani 1 1 d .
F56 F 0.7167(4) 0.3148(19) 0.1603(8) 0.212(10) Uani 1 1 d U
O1 O 0.59295(16) 0.2258(9) 0.5667(3) 0.044(2) Uani 1 1 d .
O2 O 0.61306(17) -0.0380(10) 0.5560(3) 0.055(2) Uani 1 1 d .
O3 O 0.64620(17) 0.2232(9) 0.5580(3) 0.051(2) Uani 1 1 d .
O4 O 0.66253(18) -0.0143(10) 0.6117(3) 0.058(2) Uani 1 1 d .
O5 O 0.65711(16) 0.2572(9) 0.6662(3) 0.049(2) Uani 1 1 d .
O6 O 0.64010(19) -0.0001(9) 0.6992(3) 0.054(2) Uani 1 1 d .
O7 O 0.60439(16) 0.2479(8) 0.6750(3) 0.047(2) Uani 1 1 d .
O8 O 0.59012(18) -0.0098(10) 0.6423(3) 0.057(2) Uani 1 1 d .
O9 O 0.65807(16) 0.8795(10) 0.1753(3) 0.054(2) Uani 1 1 d .
O10 O 0.63821(17) 0.6188(9) 0.1919(3) 0.058(2) Uani 1 1 d .
O11 O 0.60491(17) 0.8790(10) 0.1875(3) 0.057(2) Uani 1 1 d .
O12 O 0.58792(17) 0.6385(10) 0.1397(3) 0.059(2) Uani 1 1 d .
O13 O 0.59293(16) 0.9079(9) 0.0812(3) 0.050(2) Uani 1 1 d .
O14 O 0.60803(18) 0.6508(9) 0.0488(3) 0.054(2) Uani 1 1 d .
O15 O 0.64673(17) 0.8922(9) 0.0684(3) 0.050(2) Uani 1 1 d .
O16 O 0.65857(17) 0.6300(10) 0.1028(3) 0.057(2) Uani 1 1 d .
O2W O 0.6299(3) 0.119(2) 0.1357(6) 0.159(7) Uani 1 1 d U
Yb1 Yb 0.625750(11) 0.10967(5) 0.62172(2) 0.04491(18) Uani 1 1 d .
Yb2 Yb 0.624585(11) 0.76044(5) 0.12465(2) 0.04580(18) Uani 1 1 d .
O1W O 0.6243(3) -0.5499(15) 0.6054(5) 0.104(4) 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 C2 132.1(13) . .
O1 C1 C8 122.0(14) . .
C2 C1 C8 105.8(12) . .
C3 C2 C1 119.6(12) . .
C3 C2 C11 133.0(14) . .
C1 C2 C11 107.3(13) . .
O2 C3 C2 127.5(14) . .
O2 C3 C4 112.3(14) . .
C2 C3 C4 120.1(12) . .
F2 C4 F1 106.1(13) . .
F2 C4 C3 110.2(11) . .
F1 C4 C3 112.8(13) . .
F2 C4 C5 106.2(13) . .
F1 C4 C5 105.4(11) . .
C3 C4 C5 115.5(13) . .
F4 C5 F3 106.4(12) . .
F4 C5 C6 108.3(14) . .
F3 C5 C6 107.8(13) . .
F4 C5 C4 108.0(13) . .
F3 C5 C4 107.8(13) . .
C6 C5 C4 118.0(13) . .
F7 C6 F6 107.6(15) . .
F7 C6 F5 106.2(14) . .
F6 C6 F5 107.5(13) . .
F7 C6 C5 111.6(14) . .
F6 C6 C5 112.5(14) . .
F5 C6 C5 111.0(14) . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C7 C8 C1 117.6(13) . .
C7 C8 C9 113.7(13) . .
C1 C8 C9 103.5(12) . .
C7 C8 C12 118.5(13) . .
C1 C8 C12 99.8(11) . .
C9 C8 C12 101.2(11) . .
C10 C9 C8 103.8(12) . .
C10 C9 H9A 111.0 . .
C8 C9 H9A 111.0 . .
C10 C9 H9B 111.0 . .
C8 C9 H9B 111.0 . .
H9A C9 H9B 109.0 . .
C9 C10 C11 104.7(12) . .
C9 C10 H10A 110.8 . .
C11 C10 H10A 110.8 . .
C9 C10 H10B 110.8 . .
C11 C10 H10B 110.8 . .
H10A C10 H10B 108.9 . .
C2 C11 C10 107.5(11) . .
C2 C11 C12 99.6(12) . .
C10 C11 C12 102.1(12) . .
C2 C11 H11 115.2 . .
C10 C11 H11 115.2 . .
C12 C11 H11 115.2 . .
C14 C12 C13 108.4(12) . .
C14 C12 C11 114.4(13) . .
C13 C12 C11 116.7(14) . .
C14 C12 C8 113.2(13) . .
C13 C12 C8 111.3(13) . .
C11 C12 C8 92.2(10) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O3 C15 C16 132.1(13) . .
O3 C15 C22 121.0(13) . .
C16 C15 C22 106.9(12) . .
C17 C16 C15 120.4(13) . .
C17 C16 C25 134.0(15) . .
C15 C16 C25 105.4(14) . .
O4 C17 C16 125.8(14) . .
O4 C17 C18 113.8(13) . .
C16 C17 C18 120.4(14) . .
F9 C18 F8 106.4(14) . .
F9 C18 C17 112.1(13) . .
F8 C18 C17 108.9(12) . .
F9 C18 C19 108.0(12) . .
F8 C18 C19 108.6(14) . .
C17 C18 C19 112.6(14) . .
F10 C19 F11 110.4(17) . .
F10 C19 C18 109.7(15) . .
F11 C19 C18 108.1(13) . .
F10 C19 C20 107.1(16) . .
F11 C19 C20 108.7(15) . .
C18 C19 C20 112.9(16) . .
F14 C20 F12 111(2) . .
F14 C20 F13 105(2) . .
F12 C20 F13 105.1(19) . .
F14 C20 C19 114.0(19) . .
F12 C20 C19 114.5(19) . .
F13 C20 C19 106.0(18) . .
C22 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C21 C22 C26 119.6(15) . .
C21 C22 C23 119.4(14) . .
C26 C22 C23 99.5(13) . .
C21 C22 C15 114.5(12) . .
C26 C22 C15 98.1(12) . .
C23 C22 C15 102.2(12) . .
C24 C23 C22 107.4(12) . .
C24 C23 H23A 110.2 . .
C22 C23 H23A 110.2 . .
C24 C23 H23B 110.2 . .
C22 C23 H23B 110.2 . .
H23A C23 H23B 108.5 . .
C23 C24 C25 100.9(12) . .
C23 C24 H24A 111.6 . .
C25 C24 H24A 111.6 . .
C23 C24 H24B 111.6 . .
C25 C24 H24B 111.6 . .
H24A C24 H24B 109.4 . .
C16 C25 C26 102.0(14) . .
C16 C25 C24 104.5(12) . .
C26 C25 C24 100.6(14) . .
C16 C25 H25 115.9 . .
C26 C25 H25 115.9 . .
C24 C25 H25 115.9 . .
C28 C26 C22 115.8(15) . .
C28 C26 C25 113.0(15) . .
C22 C26 C25 97.2(14) . .
C28 C26 C27 107.0(15) . .
C22 C26 C27 113.2(14) . .
C25 C26 C27 110.4(16) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
O5 C29 C30 131.9(13) . .
O5 C29 C36 121.4(13) . .
C30 C29 C36 106.6(11) . .
C31 C30 C29 121.8(14) . .
C31 C30 C39 131.0(15) . .
C29 C30 C39 107.2(14) . .
O6 C31 C30 128.7(15) . .
O6 C31 C32 109.2(13) . .
C30 C31 C32 122.2(13) . .
F16 C32 F15 108.6(12) . .
F16 C32 C33 105.1(11) . .
F15 C32 C33 106.4(12) . .
F16 C32 C31 110.8(12) . .
F15 C32 C31 110.3(11) . .
C33 C32 C31 115.3(12) . .
F18 C33 F17 108.1(13) . .
F18 C33 C34 106.4(13) . .
F17 C33 C34 107.0(14) . .
F18 C33 C32 109.2(13) . .
F17 C33 C32 108.4(12) . .
C34 C33 C32 117.4(12) . .
F21 C34 F19 107.0(14) . .
F21 C34 F20 107.4(13) . .
F19 C34 F20 108.6(14) . .
F21 C34 C33 110.1(14) . .
F19 C34 C33 111.0(13) . .
F20 C34 C33 112.6(15) . .
C36 C35 Cs1 152.8(10) . 1_565
C36 C35 H35A 98.3 . .
Cs1 C35 H35A 98.3 1_565 .
C36 C35 H35B 98.3 . .
Cs1 C35 H35B 98.3 1_565 .
H35A C35 H35B 103.8 . .
C35 C36 C40 119.0(13) . .
C35 C36 C29 115.0(13) . .
C40 C36 C29 98.9(11) . .
C35 C36 C37 116.5(13) . .
C40 C36 C37 102.5(13) . .
C29 C36 C37 102.1(11) . .
C36 C37 C38 104.7(12) . .
C36 C37 H37A 110.8 . .
C38 C37 H37A 110.8 . .
C36 C37 H37B 110.8 . .
C38 C37 H37B 110.8 . .
H37A C37 H37B 108.9 . .
C39 C38 C37 101.9(11) . .
C39 C38 H38A 111.4 . .
C37 C38 H38A 111.4 . .
C39 C38 H38B 111.4 . .
C37 C38 H38B 111.4 . .
H38A C38 H38B 109.3 . .
C30 C39 C38 107.0(12) . .
C30 C39 C40 99.4(13) . .
C38 C39 C40 101.9(12) . .
C30 C39 H39 115.5 . .
C38 C39 H39 115.5 . .
C40 C39 H39 115.5 . .
C41 C40 C36 113.8(14) . .
C41 C40 C42 107.3(13) . .
C36 C40 C42 114.3(14) . .
C41 C40 C39 113.5(15) . .
C36 C40 C39 94.2(12) . .
C42 C40 C39 113.5(13) . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C40 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C40 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
O7 C43 C44 128.3(13) . .
O7 C43 C50 124.1(14) . .
C44 C43 C50 107.3(11) . .
C45 C44 C43 120.7(12) . .
C45 C44 C53 135.6(13) . .
C43 C44 C53 103.7(12) . .
O8 C45 C44 129.0(13) . .
O8 C45 C46 110.5(12) . .
C44 C45 C46 120.5(12) . .
F23 C46 F22 103.3(12) . .
F23 C46 C45 113.1(13) . .
F22 C46 C45 111.7(12) . .
F23 C46 C47 106.3(13) . .
F22 C46 C47 103.7(13) . .
C45 C46 C47 117.3(13) . .
F25 C47 F24 89.4(16) . .
F25 C47 C48 113.4(16) . .
F24 C47 C48 100.4(16) . .
F25 C47 C46 112.0(15) . .
F24 C47 C46 107.0(14) . .
C48 C47 C46 126.5(15) . .
F26 C48 F28 116.1(14) . .
F26 C48 C47 120.1(15) . .
F28 C48 C47 117.3(15) . .
F26 C48 F27 101.7(14) . .
F28 C48 F27 106.4(14) . .
C47 C48 F27 87.6(17) . .
C50 C49 H49A 109.5 . .
C50 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C50 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C51 C50 C49 118.1(12) . .
C51 C50 C43 105.5(11) . .
C49 C50 C43 114.1(12) . .
C51 C50 C54 102.5(12) . .
C49 C50 C54 116.7(13) . .
C43 C50 C54 97.1(11) . .
C50 C51 C52 107.3(11) . .
C50 C51 H51A 110.3 . .
C52 C51 H51A 110.3 . .
C50 C51 H51B 110.3 . .
C52 C51 H51B 110.3 . .
H51A C51 H51B 108.5 . .
C53 C52 C51 99.7(11) . .
C53 C52 H52A 111.8 . .
C51 C52 H52A 111.8 . .
C53 C52 H52B 111.8 . .
C51 C52 H52B 111.8 . .
H52A C52 H52B 109.6 . .
C52 C53 C44 106.6(12) . .
C52 C53 C54 105.6(12) . .
C44 C53 C54 101.1(12) . .
C52 C53 H53 114.1 . .
C44 C53 H53 114.1 . .
C54 C53 H53 114.1 . .
C55 C54 C56 110.6(13) . .
C55 C54 C53 113.9(13) . .
C56 C54 C53 109.7(13) . .
C55 C54 C50 116.3(13) . .
C56 C54 C50 113.5(13) . .
C53 C54 C50 91.6(12) . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C54 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
O9 C57 C58 130.6(13) . .
O9 C57 C64 122.8(13) . .
C58 C57 C64 106.6(12) . .
C59 C58 C57 122.2(13) . .
C59 C58 C67 131.9(15) . .
C57 C58 C67 105.9(14) . .
C58 C59 O10 127.9(14) . .
C58 C59 C60 123.3(13) . .
O10 C59 C60 108.9(13) . .
F30 C60 F29 106.2(13) . .
F30 C60 C61 109.1(16) . .
F29 C60 C61 103.6(15) . .
F30 C60 C59 111.4(13) . .
F29 C60 C59 109.9(13) . .
C61 C60 C59 115.9(14) . .
F32 C61 F31 107.2(17) . .
F32 C61 C62 103(2) . .
F31 C61 C62 106.4(19) . .
F32 C61 C60 111.2(18) . .
F31 C61 C60 108.1(18) . .
C62 C61 C60 120(2) . .
F34 C62 F35 108(2) . .
F34 C62 F33 107(2) . .
F35 C62 F33 106(3) . .
F34 C62 C61 116(2) . .
F35 C62 C61 113(2) . .
F33 C62 C61 107(2) . .
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 . .
C57 C64 C63 115.9(11) . .
C57 C64 C65 104.3(12) . .
C63 C64 C65 114.3(12) . .
C57 C64 C68 100.2(11) . .
C63 C64 C68 117.5(13) . .
C65 C64 C68 102.5(11) . .
C66 C65 C64 103.0(12) . .
C66 C65 H65A 111.2 . .
C64 C65 H65A 111.2 . .
C66 C65 H65B 111.2 . .
C64 C65 H65B 111.2 . .
H65A C65 H65B 109.1 . .
C65 C66 C67 103.9(12) . .
C65 C66 H66A 111.0 . .
C67 C66 H66A 111.0 . .
C65 C66 H66B 111.0 . .
C67 C66 H66B 111.0 . .
H66A C66 H66B 109.0 . .
C58 C67 C68 100.8(13) . .
C58 C67 C66 105.1(12) . .
C68 C67 C66 101.5(13) . .
C58 C67 H67 115.8 . .
C68 C67 H67 115.8 . .
C66 C67 H67 115.8 . .
C69 C68 C67 114.6(13) . .
C69 C68 C70 107.3(12) . .
C67 C68 C70 114.0(13) . .
C69 C68 C64 114.0(12) . .
C67 C68 C64 93.0(11) . .
C70 C68 C64 113.7(13) . .
C68 C69 H69A 109.5 . .
C68 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C68 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C68 C70 H70A 109.5 . .
C68 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C68 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
O11 C71 C72 127.8(14) . .
O11 C71 C78 125.4(16) . .
C72 C71 C78 106.7(13) . .
C73 C72 C71 122.2(13) . .
C73 C72 C81 133.9(16) . .
C71 C72 C81 103.8(14) . .
O12 C73 C72 126.7(15) . .
O12 C73 C74 110.9(15) . .
C72 C73 C74 122.2(15) . .
F36 C74 F37 107.3(14) . .
F36 C74 C75 105.1(16) . .
F37 C74 C75 106.4(14) . .
F36 C74 C73 111.1(14) . .
F37 C74 C73 109.9(15) . .
C75 C74 C73 116.6(15) . .
F39 C75 F38 104.7(18) . .
F39 C75 C76 104.9(16) . .
F38 C75 C76 107.2(18) . .
F39 C75 C74 109.3(17) . .
F38 C75 C74 107.9(14) . .
C76 C75 C74 121.7(19) . .
F41 C76 F40 109(2) . .
F41 C76 F42 108(3) . .
F40 C76 F42 106(2) . .
F41 C76 C75 109(2) . .
F40 C76 C75 113(2) . .
F42 C76 C75 110.2(18) . .
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 . .
C71 C78 C82 101.0(14) . .
C71 C78 C79 104.9(14) . .
C82 C78 C79 100.6(14) . .
C71 C78 C77 114.7(14) . .
C82 C78 C77 118.0(16) . .
C79 C78 C77 115.6(15) . .
C80 C79 C78 105.9(14) . .
C80 C79 H79A 110.6 . .
C78 C79 H79A 110.6 . .
C80 C79 H79B 110.6 . .
C78 C79 H79B 110.6 . .
H79A C79 H79B 108.7 . .
C79 C80 C81 101.6(14) . .
C79 C80 H80A 111.4 . .
C81 C80 H80A 111.4 . .
C79 C80 H80B 111.4 . .
C81 C80 H80B 111.4 . .
H80A C80 H80B 109.3 . .
C82 C81 C72 101.9(13) . .
C82 C81 C80 101.2(15) . .
C72 C81 C80 105.0(13) . .
C82 C81 H81 115.6 . .
C72 C81 H81 115.6 . .
C80 C81 H81 115.6 . .
C78 C82 C81 94.3(15) . .
C78 C82 C84 116.2(15) . .
C81 C82 C84 115.9(15) . .
C78 C82 C83 112.9(14) . .
C81 C82 C83 112.6(16) . .
C84 C82 C83 105.1(14) . .
C82 C83 H83A 109.5 . .
C82 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C82 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C82 C84 H84A 109.5 . .
C82 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C82 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
O13 C85 C86 130.3(13) . .
O13 C85 C92 123.7(13) . .
C86 C85 C92 106.0(12) . .
C87 C86 C85 122.5(14) . .
C87 C86 C95 129.2(15) . .
C85 C86 C95 108.2(13) . .
O14 C87 C86 127.1(15) . .
O14 C87 C88 110.9(13) . .
C86 C87 C88 121.9(14) . .
F44 C88 F43 109.6(14) . .
F44 C88 C87 112.4(15) . .
F43 C88 C87 111.1(12) . .
F44 C88 C89 103.9(13) . .
F43 C88 C89 104.4(15) . .
C87 C88 C89 114.9(14) . .
F46 C89 F45 106.4(15) . .
F46 C89 C90 107(2) . .
F45 C89 C90 102.4(19) . .
F46 C89 C88 109.5(18) . .
F45 C89 C88 109.3(17) . .
C90 C89 C88 121.2(16) . .
F48 C90 F47 114(3) . .
F48 C90 F49 105(2) . .
F47 C90 F49 105(3) . .
F48 C90 C89 111(3) . .
F47 C90 C89 115(2) . .
F49 C90 C89 105(2) . .
C92 C91 Cs2 150.0(9) . 1_565
C92 C91 H91A 99.2 . .
Cs2 C91 H91A 99.2 1_565 .
C92 C91 H91B 99.2 . .
Cs2 C91 H91B 99.2 1_565 .
H91A C91 H91B 104.0 . .
C85 C92 C91 115.1(11) . .
C85 C92 C96 101.7(12) . .
C91 C92 C96 119.0(12) . .
C85 C92 C93 102.0(11) . .
C91 C92 C93 117.0(13) . .
C96 C92 C93 99.2(11) . .
C94 C93 C92 107.0(14) . .
C94 C93 H93A 110.3 . .
C92 C93 H93A 110.3 . .
C94 C93 H93B 110.3 . .
C92 C93 H93B 110.3 . .
H93A C93 H93B 108.6 . .
C93 C94 C95 101.0(13) . .
C93 C94 H94A 111.6 . .
C95 C94 H94A 111.6 . .
C93 C94 H94B 111.6 . .
C95 C94 H94B 111.6 . .
H94A C94 H94B 109.4 . .
C86 C95 C94 104.6(13) . .
C86 C95 C96 99.6(12) . .
C94 C95 C96 101.4(14) . .
C86 C95 H95 116.3 . .
C94 C95 H95 116.3 . .
C96 C95 H95 116.3 . .
C98 C96 C97 107.6(13) . .
C98 C96 C92 116.4(14) . .
C97 C96 C92 111.8(13) . .
C98 C96 C95 114.0(14) . .
C97 C96 C95 112.3(14) . .
C92 C96 C95 94.5(11) . .
C96 C97 H97A 109.5 . .
C96 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C96 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C96 C98 H98A 109.5 . .
C96 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C96 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
O15 C99 C100 129.7(13) . .
O15 C99 C106 121.6(14) . .
C100 C99 C106 108.5(12) . .
C101 C100 C99 121.9(12) . .
C101 C100 C109 133.2(15) . .
C99 C100 C109 104.9(13) . .
O16 C101 C100 127.1(14) . .
O16 C101 C102 111.9(14) . .
C100 C101 C102 121.0(13) . .
F50 C102 F51 105.3(13) . .
F50 C102 C101 111.9(15) . .
F51 C102 C101 110.8(13) . .
F50 C102 C103 110.1(15) . .
F51 C102 C103 103.6(15) . .
C101 C102 C103 114.4(13) . .
F53 C103 C104 112.2(18) . .
F53 C103 F52 108.1(18) . .
C104 C103 F52 96.3(15) . .
F53 C103 C102 112.6(14) . .
C104 C103 C102 123.9(17) . .
F52 C103 C102 100.0(16) . .
F55 C104 F54 118.8(18) . .
F55 C104 F56 97(2) . .
F54 C104 F56 99.3(16) . .
F55 C104 C103 116.1(17) . .
F54 C104 C103 119.4(18) . .
F56 C104 C103 97.7(17) . .
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 . .
C105 C106 C107 117.1(15) . .
C105 C106 C99 115.2(14) . .
C107 C106 C99 103.3(13) . .
C105 C106 C110 119.2(14) . .
C107 C106 C110 101.0(15) . .
C99 C106 C110 98.1(13) . .
C106 C107 C108 107.8(15) . .
C106 C107 H10E 110.1 . .
C108 C107 H10E 110.1 . .
C106 C107 H10F 110.1 . .
C108 C107 H10F 110.1 . .
H10E C107 H10F 108.5 . .
C109 C108 C107 100.8(14) . .
C109 C108 H10C 111.6 . .
C107 C108 H10C 111.6 . .
C109 C108 H10D 111.6 . .
C107 C108 H10D 111.6 . .
H10C C108 H10D 109.4 . .
C100 C109 C108 108.2(14) . .
C100 C109 C110 101.2(13) . .
C108 C109 C110 102.5(15) . .
C100 C109 H109 114.5 . .
C108 C109 H109 114.5 . .
C110 C109 H109 114.5 . .
C112 C110 C111 109.9(15) . .
C112 C110 C106 113.3(15) . .
C111 C110 C106 112.4(14) . .
C112 C110 C109 114.9(14) . .
C111 C110 C109 113.8(15) . .
C106 C110 C109 91.6(13) . .
C110 C111 H11D 109.5 . .
C110 C111 H11E 109.5 . .
H11D C111 H11E 109.5 . .
C110 C111 H11F 109.5 . .
H11D C111 H11F 109.5 . .
H11E C111 H11F 109.5 . .
C110 C112 H11A 109.5 . .
C110 C112 H11B 109.5 . .
H11A C112 H11B 109.5 . .
C110 C112 H11C 109.5 . .
H11A C112 H11C 109.5 . .
H11B C112 H11C 109.5 . .
O2 Cs1 O1W 121.9(3) . .
O2 Cs1 O6 76.0(2) . .
O1W Cs1 O6 161.8(3) . .
O2 Cs1 O4 51.7(2) . .
O1W Cs1 O4 136.0(3) . .
O6 Cs1 O4 50.6(2) . .
O2 Cs1 O8 50.7(2) . .
O1W Cs1 O8 140.7(3) . .
O6 Cs1 O8 51.8(2) . .
O4 Cs1 O8 74.6(2) . .
O2 Cs1 F2 49.0(2) . .
O1W Cs1 F2 74.9(3) . .
O6 Cs1 F2 123.3(2) . .
O4 Cs1 F2 94.2(2) . .
O8 Cs1 F2 79.5(2) . .
O2 Cs1 F15 121.9(2) . .
O1W Cs1 F15 114.0(3) . .
O6 Cs1 F15 47.9(2) . .
O4 Cs1 F15 77.8(2) . .
O8 Cs1 F15 93.9(2) . .
F2 Cs1 F15 170.9(2) . .
O2 Cs1 F20 117.7(3) . .
O1W Cs1 F20 110.3(3) . .
O6 Cs1 F20 58.1(3) . .
O4 Cs1 F20 108.4(3) . .
O8 Cs1 F20 67.5(3) . .
F2 Cs1 F20 132.2(3) . .
F15 Cs1 F20 48.5(3) . .
O2 Cs1 F22 85.7(2) . .
O1W Cs1 F22 99.6(3) . .
O6 Cs1 F22 84.1(2) . .
O4 Cs1 F22 120.7(2) . .
O8 Cs1 F22 46.2(2) . .
F2 Cs1 F22 79.8(2) . .
F15 Cs1 F22 100.2(2) . .
F20 Cs1 F22 52.4(3) . .
O2 Cs1 F8 85.1(2) . .
O1W Cs1 F8 93.7(3) . .
O6 Cs1 F8 84.0(2) . .
O4 Cs1 F8 45.9(2) . .
O8 Cs1 F8 120.5(2) . .
F2 Cs1 F8 101.4(2) . .
F15 Cs1 F8 76.4(2) . .
F20 Cs1 F8 124.7(3) . .
F22 Cs1 F8 166.4(2) . .
O2 Cs1 F6 56.7(2) . .
O1W Cs1 F6 76.9(3) . .
O6 Cs1 F6 114.8(2) . .
O4 Cs1 F6 64.8(2) . .
O8 Cs1 F6 107.3(2) . .
F2 Cs1 F6 48.9(2) . .
F15 Cs1 F6 129.0(2) . .
F20 Cs1 F6 172.8(3) . .
F22 Cs1 F6 128.1(2) . .
F8 Cs1 F6 52.7(2) . .
O2 Cs1 Yb1 37.76(16) . .
O1W Cs1 Yb1 159.4(3) . .
O6 Cs1 Yb1 38.29(16) . .
O4 Cs1 Yb1 37.24(16) . .
O8 Cs1 Yb1 37.31(17) . .
F2 Cs1 Yb1 85.83(15) . .
F15 Cs1 Yb1 85.10(16) . .
F20 Cs1 Yb1 87.8(2) . .
F22 Cs1 Yb1 83.47(14) . .
F8 Cs1 Yb1 83.17(15) . .
F6 Cs1 Yb1 85.14(17) . .
O2W Cs2 O10 126.0(4) . .
O2W Cs2 O12 145.4(4) . .
O10 Cs2 O12 51.8(2) . .
O2W Cs2 O16 134.0(4) . .
O10 Cs2 O16 50.7(2) . .
O12 Cs2 O16 75.0(2) . .
O2W Cs2 O14 157.3(4) . .
O10 Cs2 O14 75.7(2) . .
O12 Cs2 O14 50.8(2) . .
O16 Cs2 O14 51.6(2) . .
O2W Cs2 F30 78.2(4) . .
O10 Cs2 F30 48.1(2) . .
O12 Cs2 F30 93.3(2) . .
O16 Cs2 F30 79.0(3) . .
O14 Cs2 F30 122.2(2) . .
O2W Cs2 F51 89.5(4) . .
O10 Cs2 F51 85.7(2) . .
O12 Cs2 F51 122.0(2) . .
O16 Cs2 F51 47.0(2) . .
O14 Cs2 F51 85.5(2) . .
F30 Cs2 F51 78.9(3) . .
O2W Cs2 F36 100.0(4) . .
O10 Cs2 F36 85.4(2) . .
O12 Cs2 F36 47.7(2) . .
O16 Cs2 F36 122.7(2) . .
O14 Cs2 F36 87.2(2) . .
F30 Cs2 F36 98.8(3) . .
F51 Cs2 F36 169.6(2) . .
O2W Cs2 F43 113.3(4) . .
O10 Cs2 F43 120.4(2) . .
O12 Cs2 F43 77.5(2) . .
O16 Cs2 F43 91.7(2) . .
O14 Cs2 F43 46.3(2) . .
F30 Cs2 F43 168.4(2) . .
F51 Cs2 F43 99.9(3) . .
F36 Cs2 F43 80.3(3) . .
O2W Cs2 F48 104.9(4) . .
O10 Cs2 F48 114.3(4) . .
O12 Cs2 F48 105.6(3) . .
O16 Cs2 F48 64.5(4) . .
O14 Cs2 F48 55.0(3) . .
F30 Cs2 F48 131.8(4) . .
F51 Cs2 F48 53.4(3) . .
F36 Cs2 F48 126.7(3) . .
F43 Cs2 F48 46.6(3) . .
O2W Cs2 F33 87.8(4) . .
O10 Cs2 F33 54.1(3) . .
O12 Cs2 F33 63.2(3) . .
O16 Cs2 F33 104.6(3) . .
O14 Cs2 F33 113.0(3) . .
F30 Cs2 F33 47.2(3) . .
F51 Cs2 F33 125.3(3) . .
F36 Cs2 F33 51.7(3) . .
F43 Cs2 F33 130.8(3) . .
F48 Cs2 F33 167.0(4) . .
O2W Cs2 Yb2 162.9(3) . .
O10 Cs2 Yb2 37.67(16) . .
O12 Cs2 Yb2 37.56(16) . .
O16 Cs2 Yb2 37.47(16) . .
O14 Cs2 Yb2 37.99(16) . .
F30 Cs2 Yb2 84.97(18) . .
F51 Cs2 Yb2 84.49(16) . .
F36 Cs2 Yb2 85.24(16) . .
F43 Cs2 Yb2 83.47(16) . .
F48 Cs2 Yb2 84.3(3) . .
F33 Cs2 Yb2 82.7(3) . .
C4 F2 Cs1 126.1(8) . .
C6 F6 Cs1 136.0(9) . .
C18 F8 Cs1 126.0(8) . .
C32 F15 Cs1 126.3(7) . .
C34 F20 Cs1 135.4(9) . .
C46 F22 Cs1 122.6(8) . .
C60 F30 Cs2 125.5(9) . .
C62 F33 Cs2 138.2(15) . .
C74 F36 Cs2 125.6(8) . .
C88 F43 Cs2 125.7(8) . .
C90 F48 Cs2 143.5(15) . .
C102 F51 Cs2 127.0(9) . .
C1 O1 Yb1 129.2(9) . .
C3 O2 Yb1 132.8(10) . .
C3 O2 Cs1 130.9(9) . .
Yb1 O2 Cs1 87.4(3) . .
C15 O3 Yb1 127.2(8) . .
C17 O4 Yb1 134.6(10) . .
C17 O4 Cs1 137.7(9) . .
Yb1 O4 Cs1 86.1(3) . .
C29 O5 Yb1 128.2(9) . .
C31 O6 Yb1 130.8(9) . .
C31 O6 Cs1 134.5(9) . .
Yb1 O6 Cs1 86.0(2) . .
C43 O7 Yb1 130.3(9) . .
C45 O8 Yb1 133.7(9) . .
C45 O8 Cs1 137.4(8) . .
Yb1 O8 Cs1 85.7(3) . .
C57 O9 Yb2 129.7(9) . .
C59 O10 Yb2 131.3(9) . .
C59 O10 Cs2 134.6(9) . .
Yb2 O10 Cs2 87.2(3) . .
C71 O11 Yb2 130.9(10) . .
C73 O12 Yb2 135.0(10) . .
C73 O12 Cs2 134.0(10) . .
Yb2 O12 Cs2 86.7(3) . .
C85 O13 Yb2 130.0(9) . .
C87 O14 Yb2 132.6(10) . .
C87 O14 Cs2 136.3(9) . .
Yb2 O14 Cs2 84.7(2) . .
C99 O15 Yb2 128.9(9) . .
C101 O16 Yb2 134.8(10) . .
C101 O16 Cs2 135.5(9) . .
Yb2 O16 Cs2 86.7(3) . .
O4 Yb1 O8 113.6(4) . .
O4 Yb1 O2 72.5(3) . .
O8 Yb1 O2 71.2(3) . .
O4 Yb1 O6 70.9(3) . .
O8 Yb1 O6 72.7(3) . .
O2 Yb1 O6 110.5(3) . .
O4 Yb1 O7 147.7(3) . .
O8 Yb1 O7 75.4(3) . .
O2 Yb1 O7 137.1(3) . .
O6 Yb1 O7 83.7(3) . .
O4 Yb1 O1 136.1(3) . .
O8 Yb1 O1 84.6(3) . .
O2 Yb1 O1 77.0(3) . .
O6 Yb1 O1 151.4(3) . .
O7 Yb1 O1 73.7(3) . .
O4 Yb1 O5 85.1(3) . .
O8 Yb1 O5 135.6(3) . .
O2 Yb1 O5 151.6(3) . .
O6 Yb1 O5 76.9(3) . .
O7 Yb1 O5 69.7(3) . .
O1 Yb1 O5 110.1(3) . .
O4 Yb1 O3 76.0(3) . .
O8 Yb1 O3 148.3(3) . .
O2 Yb1 O3 84.4(3) . .
O6 Yb1 O3 136.7(3) . .
O7 Yb1 O3 113.4(3) . .
O1 Yb1 O3 70.1(3) . .
O5 Yb1 O3 73.2(3) . .
O4 Yb1 Cs1 56.7(3) . .
O8 Yb1 Cs1 57.0(2) . .
O2 Yb1 Cs1 54.8(3) . .
O6 Yb1 Cs1 55.7(2) . .
O7 Yb1 Cs1 123.3(2) . .
O1 Yb1 Cs1 124.5(2) . .
O5 Yb1 Cs1 125.4(2) . .
O3 Yb1 Cs1 123.4(2) . .
O16 Yb2 O12 111.5(4) . .
O16 Yb2 O10 70.7(3) . .
O12 Yb2 O10 72.2(3) . .
O16 Yb2 O14 72.8(3) . .
O12 Yb2 O14 71.4(3) . .
O10 Yb2 O14 112.4(3) . .
O16 Yb2 O9 86.5(3) . .
O12 Yb2 O9 135.9(3) . .
O10 Yb2 O9 77.2(3) . .
O14 Yb2 O9 151.6(3) . .
O16 Yb2 O11 149.8(3) . .
O12 Yb2 O11 75.0(3) . .
O10 Yb2 O11 84.5(3) . .
O14 Yb2 O11 134.6(3) . .
O9 Yb2 O11 71.1(3) . .
O16 Yb2 O13 136.5(3) . .
O12 Yb2 O13 85.6(3) . .
O10 Yb2 O13 151.1(3) . .
O14 Yb2 O13 76.0(3) . .
O9 Yb2 O13 109.0(3) . .
O11 Yb2 O13 71.8(3) . .
O16 Yb2 O15 75.6(3) . .
O12 Yb2 O15 149.8(3) . .
O10 Yb2 O15 135.2(3) . .
O14 Yb2 O15 83.8(3) . .
O9 Yb2 O15 72.1(3) . .
O11 Yb2 O15 114.4(3) . .
O13 Yb2 O15 71.6(3) . .
O16 Yb2 Cs2 55.8(2) . .
O12 Yb2 Cs2 55.7(2) . .
O10 Yb2 Cs2 55.1(2) . .
O14 Yb2 Cs2 57.3(2) . .
O9 Yb2 Cs2 125.4(3) . .
O11 Yb2 Cs2 122.3(3) . .
O13 Yb2 Cs2 125.6(2) . .
O15 Yb2 Cs2 123.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.223(16) .
C1 C2 1.45(2) .
C1 C8 1.512(19) .
C2 C3 1.39(2) .
C2 C11 1.481(18) .
C3 O2 1.300(14) .
C3 C4 1.52(2) .
C4 F2 1.346(16) .
C4 F1 1.363(17) .
C4 C5 1.55(2) .
C5 F4 1.355(17) .
C5 F3 1.364(17) .
C5 C6 1.50(2) .
C6 F7 1.314(18) .
C6 F6 1.336(18) .
C6 F5 1.349(17) .
C7 C8 1.51(2) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.577(18) .
C8 C12 1.61(2) .
C9 C10 1.53(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.535(18) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.58(2) .
C11 H11 0.9800 .
C12 C14 1.520(18) .
C12 C13 1.523(19) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 O3 1.261(15) .
C15 C16 1.44(2) .
C15 C22 1.566(18) .
C16 C17 1.38(2) .
C16 C25 1.51(2) .
C17 O4 1.306(17) .
C17 C18 1.52(2) .
C18 F9 1.339(15) .
C18 F8 1.38(2) .
C18 C19 1.54(2) .
C19 F10 1.274(19) .
C19 F11 1.306(18) .
C19 C20 1.56(2) .
C20 F14 1.20(2) .
C20 F12 1.28(3) .
C20 F13 1.35(2) .
C21 C22 1.50(2) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C26 1.52(2) .
C22 C23 1.560(19) .
C23 C24 1.53(2) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.588(19) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.54(3) .
C25 H25 0.9800 .
C26 C28 1.51(2) .
C26 C27 1.58(2) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 O5 1.238(13) .
C29 C30 1.40(2) .
C29 C36 1.540(18) .
C30 C31 1.36(2) .
C30 C39 1.48(2) .
C31 O6 1.297(16) .
C31 C32 1.56(2) .
C32 F16 1.348(15) .
C32 F15 1.356(15) .
C32 C33 1.55(2) .
C33 F18 1.320(18) .
C33 F17 1.348(17) .
C33 C34 1.53(2) .
C34 F21 1.323(18) .
C34 F19 1.328(16) .
C34 F20 1.335(19) .
C35 C36 1.52(2) .
C35 Cs1 3.829(16) 1_565
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C40 1.54(2) .
C36 C37 1.553(19) .
C37 C38 1.57(2) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.55(2) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.58(2) .
C39 H39 0.9800 .
C40 C41 1.52(2) .
C40 C42 1.56(2) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 O7 1.254(14) .
C43 C44 1.46(2) .
C43 C50 1.533(17) .
C44 C45 1.330(19) .
C44 C53 1.535(19) .
C45 O8 1.270(15) .
C45 C46 1.52(2) .
C46 F23 1.359(16) .
C46 F22 1.368(17) .
C46 C47 1.54(2) .
C47 F25 1.27(2) .
C47 F24 1.40(2) .
C47 C48 1.41(2) .
C48 F26 1.263(14) .
C48 F28 1.264(14) .
C48 F27 1.414(16) .
C49 C50 1.52(2) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 C51 1.508(18) .
C50 C54 1.60(2) .
C51 C52 1.571(19) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 C53 1.53(2) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 C54 1.57(2) .
C53 H53 0.9800 .
C54 C55 1.47(2) .
C54 C56 1.54(2) .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 O9 1.258(15) .
C57 C58 1.42(2) .
C57 C64 1.50(2) .
C58 C59 1.34(2) .
C58 C67 1.51(2) .
C59 O10 1.343(15) .
C59 C60 1.54(2) .
C60 F30 1.350(17) .
C60 F29 1.375(19) .
C60 C61 1.54(3) .
C61 F32 1.36(3) .
C61 F31 1.40(2) .
C61 C62 1.41(3) .
C62 F34 1.31(3) .
C62 F35 1.34(3) .
C62 F33 1.40(3) .
C63 C64 1.55(2) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 C65 1.562(19) .
C64 C68 1.571(19) .
C65 C66 1.53(2) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 C67 1.568(19) .
C66 H66A 0.9700 .
C66 H66B 0.9700 .
C67 C68 1.54(2) .
C67 H67 0.9800 .
C68 C69 1.512(19) .
C68 C70 1.556(19) .
C69 H69A 0.9600 .
C69 H69B 0.9600 .
C69 H69C 0.9600 .
C70 H70A 0.9600 .
C70 H70B 0.9600 .
C70 H70C 0.9600 .
C71 O11 1.243(15) .
C71 C72 1.45(2) .
C71 C78 1.51(2) .
C72 C73 1.34(2) .
C72 C81 1.55(2) .
C73 O12 1.277(16) .
C73 C74 1.55(2) .
C74 F36 1.34(2) .
C74 F37 1.344(16) .
C74 C75 1.53(2) .
C75 F39 1.37(2) .
C75 F38 1.38(2) .
C75 C76 1.47(3) .
C76 F41 1.23(3) .
C76 F40 1.33(2) .
C76 F42 1.34(3) .
C77 C78 1.55(2) .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 C82 1.54(2) .
C78 C79 1.55(2) .
C79 C80 1.51(3) .
C79 H79A 0.9700 .
C79 H79B 0.9700 .
C80 C81 1.58(2) .
C80 H80A 0.9700 .
C80 H80B 0.9700 .
C81 C82 1.54(3) .
C81 H81 0.9800 .
C82 C84 1.55(2) .
C82 C83 1.58(2) .
C83 H83A 0.9600 .
C83 H83B 0.9600 .
C83 H83C 0.9600 .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 O13 1.213(15) .
C85 C86 1.40(2) .
C85 C92 1.508(17) .
C86 C87 1.39(2) .
C86 C95 1.52(2) .
C87 O14 1.266(15) .
C87 C88 1.54(2) .
C88 F44 1.328(17) .
C88 F43 1.338(19) .
C88 C89 1.58(2) .
C89 F46 1.34(2) .
C89 F45 1.39(2) .
C89 C90 1.46(3) .
C90 F48 1.28(3) .
C90 F47 1.29(2) .
C90 F49 1.36(3) .
C91 C92 1.54(2) .
C91 Cs2 3.854(16) 1_565
C91 H91A 0.9700 .
C91 H91B 0.9700 .
C92 C96 1.554(19) .
C92 C93 1.570(19) .
C93 C94 1.53(2) .
C93 H93A 0.9700 .
C93 H93B 0.9700 .
C94 C95 1.57(2) .
C94 H94A 0.9700 .
C94 H94B 0.9700 .
C95 C96 1.57(2) .
C95 H95 0.9800 .
C96 C98 1.53(2) .
C96 C97 1.54(2) .
C97 H97A 0.9600 .
C97 H97B 0.9600 .
C97 H97C 0.9600 .
C98 H98A 0.9600 .
C98 H98B 0.9600 .
C98 H98C 0.9600 .
C99 O15 1.261(14) .
C99 C100 1.43(2) .
C99 C106 1.55(2) .
C100 C101 1.36(2) .
C100 C109 1.494(18) .
C101 O16 1.275(16) .
C101 C102 1.51(2) .
C102 F50 1.343(17) .
C102 F51 1.370(19) .
C102 C103 1.54(2) .
C103 F53 1.23(2) .
C103 C104 1.45(2) .
C103 F52 1.48(2) .
C104 F55 1.24(2) .
C104 F54 1.27(2) .
C104 F56 1.44(3) .
C105 C106 1.45(2) .
C105 H10G 0.9600 .
C105 H10H 0.9600 .
C105 H10I 0.9600 .
C106 C107 1.53(2) .
C106 C110 1.59(2) .
C107 C108 1.55(3) .
C107 H10E 0.9700 .
C107 H10F 0.9700 .
C108 C109 1.54(2) .
C108 H10C 0.9700 .
C108 H10D 0.9700 .
C109 C110 1.63(2) .
C109 H109 0.9800 .
C110 C112 1.49(2) .
C110 C111 1.53(2) .
C111 H11D 0.9600 .
C111 H11E 0.9600 .
C111 H11F 0.9600 .
C112 H11A 0.9600 .
C112 H11B 0.9600 .
C112 H11C 0.9600 .
Cs1 O2 3.069(10) .
Cs1 O1W 3.085(14) .
Cs1 O6 3.107(9) .
Cs1 O4 3.143(11) .
Cs1 O8 3.154(10) .
Cs1 F2 3.201(8) .
Cs1 F15 3.247(9) .
Cs1 F20 3.390(11) .
Cs1 F22 3.427(10) .
Cs1 F8 3.441(9) .
Cs1 F6 3.442(9) .
Cs1 Yb1 3.7516(14) .
Cs2 O2W 2.86(2) .
Cs2 O10 3.082(10) .
Cs2 O12 3.107(10) .
Cs2 O16 3.109(10) .
Cs2 O14 3.172(9) .
Cs2 F30 3.266(10) .
Cs2 F51 3.281(10) .
Cs2 F36 3.296(10) .
Cs2 F43 3.354(10) .
Cs2 F48 3.489(17) .
Cs2 F33 3.605(17) .
Cs2 Yb2 3.7541(15) .
O1 Yb1 2.348(7) .
O2 Yb1 2.300(8) .
O3 Yb1 2.361(8) .
O4 Yb1 2.276(9) .
O5 Yb1 2.361(8) .
O6 Yb1 2.330(8) .
O7 Yb1 2.331(8) .
O8 Yb1 2.280(9) .
O9 Yb2 2.329(8) .
O10 Yb2 2.297(9) .
O11 Yb2 2.349(8) .
O12 Yb2 2.292(9) .
O13 Yb2 2.358(8) .
O14 Yb2 2.320(9) .
O15 Yb2 2.366(9) .
O16 Yb2 2.288(8) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O1 C1 C2 C3 -2(2) .
C8 C1 C2 C3 178.6(12) .
O1 C1 C2 C11 175.4(15) .
C8 C1 C2 C11 -3.6(15) .
C1 C2 C3 O2 -11(2) .
C11 C2 C3 O2 171.5(13) .
C1 C2 C3 C4 172.7(12) .
C11 C2 C3 C4 -4(2) .
O2 C3 C4 F2 37.4(17) .
C2 C3 C4 F2 -146.1(13) .
O2 C3 C4 F1 155.8(11) .
C2 C3 C4 F1 -27.7(18) .
O2 C3 C4 C5 -83.0(15) .
C2 C3 C4 C5 93.6(17) .
F2 C4 C5 F4 54.6(16) .
F1 C4 C5 F4 -57.7(16) .
C3 C4 C5 F4 177.1(12) .
F2 C4 C5 F3 169.3(12) .
F1 C4 C5 F3 56.9(15) .
C3 C4 C5 F3 -68.3(16) .
F2 C4 C5 C6 -68.4(18) .
F1 C4 C5 C6 179.2(14) .
C3 C4 C5 C6 54.0(19) .
F4 C5 C6 F7 167.1(13) .
F3 C5 C6 F7 52.4(17) .
C4 C5 C6 F7 -69.9(19) .
F4 C5 C6 F6 -71.7(17) .
F3 C5 C6 F6 173.5(12) .
C4 C5 C6 F6 51(2) .
F4 C5 C6 F5 48.8(18) .
F3 C5 C6 F5 -65.9(17) .
C4 C5 C6 F5 171.7(13) .
O1 C1 C8 C7 19(2) .
C2 C1 C8 C7 -162.0(14) .
O1 C1 C8 C9 -107.4(15) .
C2 C1 C8 C9 71.8(13) .
O1 C1 C8 C12 148.5(13) .
C2 C1 C8 C12 -32.3(14) .
C7 C8 C9 C10 161.8(13) .
C1 C8 C9 C10 -69.4(13) .
C12 C8 C9 C10 33.6(13) .
C8 C9 C10 C11 2.1(14) .
C3 C2 C11 C10 110.1(18) .
C1 C2 C11 C10 -67.3(15) .
C3 C2 C11 C12 -143.8(16) .
C1 C2 C11 C12 38.8(14) .
C9 C10 C11 C2 66.3(15) .
C9 C10 C11 C12 -37.9(13) .
C2 C11 C12 C14 -171.3(13) .
C10 C11 C12 C14 -60.9(16) .
C2 C11 C12 C13 60.7(16) .
C10 C11 C12 C13 171.1(12) .
C2 C11 C12 C8 -54.6(12) .
C10 C11 C12 C8 55.8(12) .
C7 C8 C12 C14 -60.9(18) .
C1 C8 C12 C14 170.1(13) .
C9 C8 C12 C14 64.1(15) .
C7 C8 C12 C13 61.6(18) .
C1 C8 C12 C13 -67.5(16) .
C9 C8 C12 C13 -173.4(14) .
C7 C8 C12 C11 -178.7(13) .
C1 C8 C12 C11 52.3(12) .
C9 C8 C12 C11 -53.7(12) .
O3 C15 C16 C17 6(2) .
C22 C15 C16 C17 -172.2(13) .
O3 C15 C16 C25 -178.5(15) .
C22 C15 C16 C25 3.2(16) .
C15 C16 C17 O4 -7(2) .
C25 C16 C17 O4 179.6(15) .
C15 C16 C17 C18 171.4(13) .
C25 C16 C17 C18 -2(3) .
O4 C17 C18 F9 147.4(13) .
C16 C17 C18 F9 -31(2) .
O4 C17 C18 F8 29.9(16) .
C16 C17 C18 F8 -148.4(13) .
O4 C17 C18 C19 -90.6(16) .
C16 C17 C18 C19 91.1(17) .
F9 C18 C19 F10 66.2(19) .
F8 C18 C19 F10 -178.8(13) .
C17 C18 C19 F10 -58.1(19) .
F9 C18 C19 F11 -173.4(15) .
F8 C18 C19 F11 -58.4(17) .
C17 C18 C19 F11 62.3(19) .
F9 C18 C19 C20 -53(2) .
F8 C18 C19 C20 61.9(17) .
C17 C18 C19 C20 -177.4(15) .
F10 C19 C20 F14 -52(3) .
F11 C19 C20 F14 -171(2) .
C18 C19 C20 F14 69(3) .
F10 C19 C20 F12 178(2) .
F11 C19 C20 F12 59(3) .
C18 C19 C20 F12 -61(2) .
F10 C19 C20 F13 63(2) .
F11 C19 C20 F13 -57(2) .
C18 C19 C20 F13 -176.5(16) .
O3 C15 C22 C21 19(2) .
C16 C15 C22 C21 -162.7(13) .
O3 C15 C22 C26 146.5(14) .
C16 C15 C22 C26 -34.9(15) .
O3 C15 C22 C23 -111.9(15) .
C16 C15 C22 C23 66.7(14) .
C21 C22 C23 C24 163.5(13) .
C26 C22 C23 C24 31.5(16) .
C15 C22 C23 C24 -69.0(15) .
C22 C23 C24 C25 2.9(16) .
C17 C16 C25 C26 -155.8(17) .
C15 C16 C25 C26 29.8(16) .
C17 C16 C25 C24 99.8(18) .
C15 C16 C25 C24 -74.7(15) .
C23 C24 C25 C16 69.5(16) .
C23 C24 C25 C26 -36.0(15) .
C21 C22 C26 C28 -65(2) .
C23 C22 C26 C28 66.9(19) .
C15 C22 C26 C28 170.8(15) .
C21 C22 C26 C25 175.0(14) .
C23 C22 C26 C25 -53.1(14) .
C15 C22 C26 C25 50.8(14) .
C21 C22 C26 C27 59(2) .
C23 C22 C26 C27 -169.0(14) .
C15 C22 C26 C27 -65.1(17) .
C16 C25 C26 C28 -173.2(13) .
C24 C25 C26 C28 -65.8(17) .
C16 C25 C26 C22 -51.2(15) .
C24 C25 C26 C22 56.3(13) .
C16 C25 C26 C27 67.0(15) .
C24 C25 C26 C27 174.4(12) .
O5 C29 C30 C31 -5(3) .
C36 C29 C30 C31 177.4(13) .
O5 C29 C30 C39 175.1(14) .
C36 C29 C30 C39 -2.0(16) .
C29 C30 C31 O6 -9(3) .
C39 C30 C31 O6 170.5(15) .
C29 C30 C31 C32 171.6(13) .
C39 C30 C31 C32 -9(3) .
O6 C31 C32 F16 157.2(11) .
C30 C31 C32 F16 -23.1(19) .
O6 C31 C32 F15 36.9(16) .
C30 C31 C32 F15 -143.4(14) .
O6 C31 C32 C33 -83.6(14) .
C30 C31 C32 C33 96.1(17) .
F16 C32 C33 F18 -58.4(15) .
F15 C32 C33 F18 56.7(14) .
C31 C32 C33 F18 179.3(12) .
F16 C32 C33 F17 59.1(15) .
F15 C32 C33 F17 174.3(11) .
C31 C32 C33 F17 -63.1(16) .
F16 C32 C33 C34 -179.6(13) .
F15 C32 C33 C34 -64.5(17) .
C31 C32 C33 C34 58.1(19) .
F18 C33 C34 F21 168.7(13) .
F17 C33 C34 F21 53.3(17) .
C32 C33 C34 F21 -68.7(19) .
F18 C33 C34 F19 50.4(19) .
F17 C33 C34 F19 -65.0(18) .
C32 C33 C34 F19 173.0(14) .
F18 C33 C34 F20 -71.5(16) .
F17 C33 C34 F20 173.1(12) .
C32 C33 C34 F20 51.1(19) .
Cs1 C35 C36 C40 -86(2) 1_565
Cs1 C35 C36 C29 31(3) 1_565
Cs1 C35 C36 C37 150.0(18) 1_565
O5 C29 C36 C35 21.3(19) .
C30 C29 C36 C35 -161.2(13) .
O5 C29 C36 C40 149.3(13) .
C30 C29 C36 C40 -33.3(15) .
O5 C29 C36 C37 -105.8(15) .
C30 C29 C36 C37 71.6(14) .
C35 C36 C37 C38 164.0(12) .
C40 C36 C37 C38 32.2(14) .
C29 C36 C37 C38 -69.9(14) .
C36 C37 C38 C39 3.6(14) .
C31 C30 C39 C38 110.5(18) .
C29 C30 C39 C38 -70.1(15) .
C31 C30 C39 C40 -143.8(17) .
C29 C30 C39 C40 35.6(15) .
C37 C38 C39 C30 66.6(15) .
C37 C38 C39 C40 -37.2(14) .
C35 C36 C40 C41 58.6(19) .
C29 C36 C40 C41 -66.5(16) .
C37 C36 C40 C41 -171.1(14) .
C35 C36 C40 C42 -65.2(18) .
C29 C36 C40 C42 169.7(13) .
C37 C36 C40 C42 65.1(16) .
C35 C36 C40 C39 176.7(13) .
C29 C36 C40 C39 51.5(12) .
C37 C36 C40 C39 -53.1(13) .
C30 C39 C40 C41 64.6(17) .
C38 C39 C40 C41 174.3(13) .
C30 C39 C40 C36 -53.7(12) .
C38 C39 C40 C36 56.0(12) .
C30 C39 C40 C42 -172.5(14) .
C38 C39 C40 C42 -62.8(16) .
O7 C43 C44 C45 -1(2) .
C50 C43 C44 C45 -174.5(12) .
O7 C43 C44 C53 177.5(12) .
C50 C43 C44 C53 4.4(14) .
C43 C44 C45 O8 -3(2) .
C53 C44 C45 O8 178.5(14) .
C43 C44 C45 C46 177.4(12) .
C53 C44 C45 C46 -1(2) .
O8 C45 C46 F23 153.1(12) .
C44 C45 C46 F23 -27.3(19) .
O8 C45 C46 F22 37.0(16) .
C44 C45 C46 F22 -143.4(13) .
O8 C45 C46 C47 -82.6(16) .
C44 C45 C46 C47 97.0(17) .
F23 C46 C47 F25 103.9(19) .
F22 C46 C47 F25 -147.5(17) .
C45 C46 C47 F25 -24(2) .
F23 C46 C47 F24 -159.7(15) .
F22 C46 C47 F24 -51.1(18) .
C45 C46 C47 F24 73(2) .
F23 C46 C47 C48 -42(2) .
F22 C46 C47 C48 66(2) .
C45 C46 C47 C48 -169.9(17) .
F25 C47 C48 F26 39(3) .
F24 C47 C48 F26 -55(2) .
C46 C47 C48 F26 -174.9(17) .
F25 C47 C48 F28 -170.0(18) .
F24 C47 C48 F28 96.1(19) .
C46 C47 C48 F28 -24(3) .
F25 C47 C48 F27 -63(2) .
F24 C47 C48 F27 -156.7(15) .
C46 C47 C48 F27 83(2) .
O7 C43 C50 C51 -108.4(14) .
C44 C43 C50 C51 65.1(14) .
O7 C43 C50 C49 22.9(19) .
C44 C43 C50 C49 -163.6(12) .
O7 C43 C50 C54 146.5(12) .
C44 C43 C50 C54 -40.0(13) .
C49 C50 C51 C52 162.1(13) .
C43 C50 C51 C52 -68.9(14) .
C54 C50 C51 C52 32.2(14) .
C50 C51 C52 C53 2.4(14) .
C51 C52 C53 C44 69.4(14) .
C51 C52 C53 C54 -37.5(15) .
C45 C44 C53 C52 102.6(19) .
C43 C44 C53 C52 -76.0(13) .
C45 C44 C53 C54 -147.2(16) .
C43 C44 C53 C54 34.2(14) .
C52 C53 C54 C55 174.7(12) .
C44 C53 C54 C55 63.8(16) .
C52 C53 C54 C56 -60.8(16) .
C44 C53 C54 C56 -171.7(13) .
C52 C53 C54 C50 54.9(13) .
C44 C53 C54 C50 -56.0(12) .
C51 C50 C54 C55 -168.7(13) .
C49 C50 C54 C55 60.6(18) .
C43 C50 C54 C55 -61.0(15) .
C51 C50 C54 C56 61.4(15) .
C49 C50 C54 C56 -69.4(17) .
C43 C50 C54 C56 169.0(13) .
C51 C50 C54 C53 -50.9(12) .
C49 C50 C54 C53 178.3(12) .
C43 C50 C54 C53 56.7(12) .
O9 C57 C58 C59 2(3) .
C64 C57 C58 C59 -179.3(14) .
O9 C57 C58 C67 -178.7(14) .
C64 C57 C58 C67 0.1(15) .
C57 C58 C59 O10 -11(2) .
C67 C58 C59 O10 170.2(14) .
C57 C58 C59 C60 170.3(13) .
C67 C58 C59 C60 -9(3) .
C58 C59 C60 F30 -144.2(15) .
O10 C59 C60 F30 36.6(18) .
C58 C59 C60 F29 -27(2) .
O10 C59 C60 F29 154.0(12) .
C58 C59 C60 C61 90(2) .
O10 C59 C60 C61 -88.9(18) .
F30 C60 C61 F32 163.4(15) .
F29 C60 C61 F32 50.5(18) .
C59 C60 C61 F32 -70(2) .
F30 C60 C61 F31 46(2) .
F29 C60 C61 F31 -67(2) .
C59 C60 C61 F31 172.6(16) .
F30 C60 C61 C62 -76(3) .
F29 C60 C61 C62 171(2) .
C59 C60 C61 C62 50(3) .
F32 C61 C62 F34 -63(3) .
F31 C61 C62 F34 50(4) .
C60 C61 C62 F34 173(2) .
F32 C61 C62 F35 62(3) .
F31 C61 C62 F35 174(2) .
C60 C61 C62 F35 -63(4) .
F32 C61 C62 F33 177.7(17) .
F31 C61 C62 F33 -70(3) .
C60 C61 C62 F33 53(3) .
O9 C57 C64 C63 17(2) .
C58 C57 C64 C63 -161.9(13) .
O9 C57 C64 C65 -109.6(15) .
C58 C57 C64 C65 71.5(14) .
O9 C57 C64 C68 144.6(13) .
C58 C57 C64 C68 -34.3(14) .
C57 C64 C65 C66 -70.5(13) .
C63 C64 C65 C66 161.9(12) .
C68 C64 C65 C66 33.6(14) .
C64 C65 C66 C67 1.9(15) .
C59 C58 C67 C68 -145.7(17) .
C57 C58 C67 C68 35.0(15) .
C59 C58 C67 C66 109.1(19) .
C57 C58 C67 C66 -70.2(15) .
C65 C66 C67 C58 67.2(15) .
C65 C66 C67 C68 -37.5(14) .
C58 C67 C68 C69 65.6(16) .
C66 C67 C68 C69 173.6(12) .
C58 C67 C68 C70 -170.2(13) .
C66 C67 C68 C70 -62.2(16) .
C58 C67 C68 C64 -52.5(12) .
C66 C67 C68 C64 55.5(12) .
C57 C64 C68 C69 -66.3(15) .
C63 C64 C68 C69 60.2(17) .
C65 C64 C68 C69 -173.5(13) .
C57 C64 C68 C67 52.4(12) .
C63 C64 C68 C67 178.9(12) .
C65 C64 C68 C67 -54.8(13) .
C57 C64 C68 C70 170.3(13) .
C63 C64 C68 C70 -63.2(17) .
C65 C64 C68 C70 63.1(16) .
O11 C71 C72 C73 3(2) .
C78 C71 C72 C73 -173.7(14) .
O11 C71 C72 C81 178.9(15) .
C78 C71 C72 C81 2.6(16) .
C71 C72 C73 O12 -10(2) .
C81 C72 C73 O12 174.9(15) .
C71 C72 C73 C74 175.0(13) .
C81 C72 C73 C74 0(3) .
O12 C73 C74 F36 35.1(17) .
C72 C73 C74 F36 -149.3(14) .
O12 C73 C74 F37 153.7(14) .
C72 C73 C74 F37 -31(2) .
O12 C73 C74 C75 -85.2(19) .
C72 C73 C74 C75 90.3(19) .
F36 C74 C75 F39 -177.7(14) .
F37 C74 C75 F39 69(2) .
C73 C74 C75 F39 -54(2) .
F36 C74 C75 F38 -64.4(19) .
F37 C74 C75 F38 -177.9(17) .
C73 C74 C75 F38 59(2) .
F36 C74 C75 C76 60(2) .
F37 C74 C75 C76 -54(3) .
C73 C74 C75 C76 -176.6(18) .
F39 C75 C76 F41 -65(3) .
F38 C75 C76 F41 -176(2) .
C74 C75 C76 F41 59(3) .
F39 C75 C76 F40 56(2) .
F38 C75 C76 F40 -54(2) .
C74 C75 C76 F40 -179.1(18) .
F39 C75 C76 F42 175(2) .
F38 C75 C76 F42 65(3) .
C74 C75 C76 F42 -60(3) .
O11 C71 C78 C82 147.6(15) .
C72 C71 C78 C82 -36.0(17) .
O11 C71 C78 C79 -108.2(18) .
C72 C71 C78 C79 68.2(16) .
O11 C71 C78 C77 20(2) .
C72 C71 C78 C77 -163.9(13) .
C71 C78 C79 C80 -70.7(17) .
C82 C78 C79 C80 33.8(18) .
C77 C78 C79 C80 162.0(14) .
C78 C79 C80 C81 1.8(18) .
C73 C72 C81 C82 -152.7(17) .
C71 C72 C81 C82 31.7(16) .
C73 C72 C81 C80 102(2) .
C71 C72 C81 C80 -73.4(16) .
C79 C80 C81 C82 -36.8(16) .
C79 C80 C81 C72 68.8(17) .
C71 C78 C82 C81 52.8(15) .
C79 C78 C82 C81 -54.7(15) .
C77 C78 C82 C81 178.7(13) .
C71 C78 C82 C84 174.5(15) .
C79 C78 C82 C84 67(2) .
C77 C78 C82 C84 -60(2) .
C71 C78 C82 C83 -64.0(19) .
C79 C78 C82 C83 -171.6(15) .
C77 C78 C82 C83 62(2) .
C72 C81 C82 C78 -51.5(14) .
C80 C81 C82 C78 56.6(13) .
C72 C81 C82 C84 -173.4(14) .
C80 C81 C82 C84 -65.3(18) .
C72 C81 C82 C83 65.5(17) .
C80 C81 C82 C83 173.6(13) .
O13 C85 C86 C87 0(3) .
C92 C85 C86 C87 -179.1(15) .
O13 C85 C86 C95 178.0(15) .
C92 C85 C86 C95 -0.6(17) .
C85 C86 C87 O14 -9(3) .
C95 C86 C87 O14 173.3(15) .
C85 C86 C87 C88 166.6(15) .
C95 C86 C87 C88 -12(3) .
O14 C87 C88 F44 157.0(13) .
C86 C87 C88 F44 -19(2) .
O14 C87 C88 F43 33.8(19) .
C86 C87 C88 F43 -142.1(17) .
O14 C87 C88 C89 -84.5(18) .
C86 C87 C88 C89 100(2) .
F44 C88 C89 F46 52.8(19) .
F43 C88 C89 F46 167.7(15) .
C87 C88 C89 F46 -70(2) .
F44 C88 C89 F45 -63.3(19) .
F43 C88 C89 F45 51.5(18) .
C87 C88 C89 F45 173.5(14) .
F44 C88 C89 C90 178(2) .
F43 C88 C89 C90 -67(3) .
C87 C88 C89 C90 55(3) .
F46 C89 C90 F48 171.6(19) .
F45 C89 C90 F48 -77(2) .
C88 C89 C90 F48 45(3) .
F46 C89 C90 F47 -56(3) .
F45 C89 C90 F47 56(3) .
C88 C89 C90 F47 178(2) .
F46 C89 C90 F49 59(2) .
F45 C89 C90 F49 170.4(19) .
C88 C89 C90 F49 -68(3) .
O13 C85 C92 C91 18(2) .
C86 C85 C92 C91 -162.8(13) .
O13 C85 C92 C96 148.6(14) .
C86 C85 C92 C96 -32.7(15) .
O13 C85 C92 C93 -109.3(15) .
C86 C85 C92 C93 69.5(14) .
Cs2 C91 C92 C85 33(3) 1_565
Cs2 C91 C92 C96 -88(2) 1_565
Cs2 C91 C92 C93 152.6(15) 1_565
C85 C92 C93 C94 -70.6(15) .
C91 C92 C93 C94 162.9(13) .
C96 C92 C93 C94 33.6(15) .
C92 C93 C94 C95 2.2(17) .
C87 C86 C95 C94 107(2) .
C85 C86 C95 C94 -71.6(16) .
C87 C86 C95 C96 -148.6(17) .
C85 C86 C95 C96 33.0(17) .
C93 C94 C95 C86 66.0(16) .
C93 C94 C95 C96 -37.2(15) .
C85 C92 C96 C98 169.8(14) .
C91 C92 C96 C98 -62.6(19) .
C93 C92 C96 C98 65.4(16) .
C85 C92 C96 C97 -66.0(15) .
C91 C92 C96 C97 61.6(17) .
C93 C92 C96 C97 -170.4(13) .
C85 C92 C96 C95 50.2(13) .
C91 C92 C96 C95 177.8(13) .
C93 C92 C96 C95 -54.2(13) .
C86 C95 C96 C98 -170.9(14) .
C94 C95 C96 C98 -63.8(17) .
C86 C95 C96 C97 66.4(16) .
C94 C95 C96 C97 173.6(12) .
C86 C95 C96 C92 -49.4(14) .
C94 C95 C96 C92 57.8(13) .
O15 C99 C100 C101 -3(2) .
C106 C99 C100 C101 -178.5(13) .
O15 C99 C100 C109 175.4(14) .
C106 C99 C100 C109 0.0(16) .
C99 C100 C101 O16 -1(2) .
C109 C100 C101 O16 -178.8(16) .
C99 C100 C101 C102 177.4(13) .
C109 C100 C101 C102 -1(3) .
O16 C101 C102 F50 146.4(14) .
C100 C101 C102 F50 -32(2) .
O16 C101 C102 F51 29.1(17) .
C100 C101 C102 F51 -149.4(14) .
O16 C101 C102 C103 -87.5(17) .
C100 C101 C102 C103 93.9(18) .
F50 C102 C103 F53 163.0(19) .
F51 C102 C103 F53 -85(2) .
C101 C102 C103 F53 36(3) .
F50 C102 C103 C104 -56(3) .
F51 C102 C103 C104 56(2) .
C101 C102 C103 C104 176.7(18) .
F50 C102 C103 F52 48.4(18) .
F51 C102 C103 F52 160.6(13) .
C101 C102 C103 F52 -78.6(17) .
F53 C103 C104 F55 163(2) .
F52 C103 C104 F55 -85(2) .
C102 C103 C104 F55 22(3) .
F53 C103 C104 F54 -44(3) .
F52 C103 C104 F54 68(2) .
C102 C103 C104 F54 175.0(19) .
F53 C103 C104 F56 61(2) .
F52 C103 C104 F56 173.7(16) .
C102 C103 C104 F56 -80(2) .
O15 C99 C106 C105 20(2) .
C100 C99 C106 C105 -164.0(14) .
O15 C99 C106 C107 -108.7(16) .
C100 C99 C106 C107 67.2(16) .
O15 C99 C106 C110 148.0(13) .
C100 C99 C106 C110 -36.2(15) .
C105 C106 C107 C108 165.1(15) .
C99 C106 C107 C108 -67.1(17) .
C110 C106 C107 C108 34.0(17) .
C106 C107 C108 C109 2.8(17) .
C101 C100 C109 C108 107(2) .
C99 C100 C109 C108 -71.6(17) .
C101 C100 C109 C110 -146.1(17) .
C99 C100 C109 C110 35.7(16) .
C107 C108 C109 C100 68.4(17) .
C107 C108 C109 C110 -37.9(15) .
C105 C106 C110 C112 -65(2) .
C107 C106 C110 C112 65.1(18) .
C99 C106 C110 C112 170.3(14) .
C105 C106 C110 C111 61(2) .
C107 C106 C110 C111 -169.6(14) .
C99 C106 C110 C111 -64.3(17) .
C105 C106 C110 C109 177.3(14) .
C107 C106 C110 C109 -53.0(14) .
C99 C106 C110 C109 52.3(13) .
C100 C109 C110 C112 -171.6(15) .
C108 C109 C110 C112 -60.0(19) .
C100 C109 C110 C111 60.4(18) .
C108 C109 C110 C111 172.1(14) .
C100 C109 C110 C106 -55.0(14) .
C108 C109 C110 C106 56.7(14) .
F1 C4 F2 Cs1 -150.8(7) .
C3 C4 F2 Cs1 -28.4(16) .
C5 C4 F2 Cs1 97.4(11) .
O2 Cs1 F2 C4 10.3(10) .
O1W Cs1 F2 C4 -153.5(11) .
O6 Cs1 F2 C4 27.6(11) .
O4 Cs1 F2 C4 -16.9(10) .
O8 Cs1 F2 C4 56.5(10) .
F15 Cs1 F2 C4 13(2) .
F20 Cs1 F2 C4 102.7(10) .
F22 Cs1 F2 C4 103.5(10) .
F8 Cs1 F2 C4 -62.8(10) .
F6 Cs1 F2 C4 -67.8(10) .
Yb1 Cs1 F2 C4 19.4(10) .
F7 C6 F6 Cs1 65.5(18) .
F5 C6 F6 Cs1 179.6(8) .
C5 C6 F6 Cs1 -57.9(19) .
O2 Cs1 F6 C6 -12.0(14) .
O1W Cs1 F6 C6 131.2(14) .
O6 Cs1 F6 C6 -63.6(14) .
O4 Cs1 F6 C6 -71.2(14) .
O8 Cs1 F6 C6 -8.3(14) .
F2 Cs1 F6 C6 50.0(14) .
F15 Cs1 F6 C6 -118.4(14) .
F20 Cs1 F6 C6 -52(3) .
F22 Cs1 F6 C6 39.1(15) .
F8 Cs1 F6 C6 -123.8(15) .
Yb1 Cs1 F6 C6 -38.7(14) .
F9 C18 F8 Cs1 -144.5(8) .
C17 C18 F8 Cs1 -23.5(15) .
C19 C18 F8 Cs1 99.4(12) .
O2 Cs1 F8 C18 47.6(10) .
O1W Cs1 F8 C18 169.3(10) .
O6 Cs1 F8 C18 -28.8(10) .
O4 Cs1 F8 C18 9.2(9) .
O8 Cs1 F8 C18 9.6(11) .
F2 Cs1 F8 C18 94.0(10) .
F15 Cs1 F8 C18 -76.9(10) .
F20 Cs1 F8 C18 -72.9(11) .
F22 Cs1 F8 C18 0.0(17) .
F6 Cs1 F8 C18 98.8(10) .
Yb1 Cs1 F8 C18 9.7(10) .
F16 C32 F15 Cs1 -152.2(8) .
C33 C32 F15 Cs1 95.1(11) .
C31 C32 F15 Cs1 -30.6(16) .
O2 Cs1 F15 C32 31.2(11) .
O1W Cs1 F15 C32 -165.5(11) .
O6 Cs1 F15 C32 12.2(10) .
O4 Cs1 F15 C32 59.3(11) .
O8 Cs1 F15 C32 -13.9(11) .
F2 Cs1 F15 C32 29(2) .
F20 Cs1 F15 C32 -69.1(11) .
F22 Cs1 F15 C32 -60.1(11) .
F8 Cs1 F15 C32 106.5(11) .
F6 Cs1 F15 C32 102.1(11) .
Yb1 Cs1 F15 C32 22.4(11) .
F21 C34 F20 Cs1 56.9(19) .
F19 C34 F20 Cs1 172.3(9) .
C33 C34 F20 Cs1 -64.4(19) .
O2 Cs1 F20 C34 -53.9(15) .
O1W Cs1 F20 C34 160.1(15) .
O6 Cs1 F20 C34 -4.2(14) .
O4 Cs1 F20 C34 1.7(16) .
O8 Cs1 F20 C34 -62.1(15) .
F2 Cs1 F20 C34 -112.2(14) .
F15 Cs1 F20 C34 55.5(14) .
F22 Cs1 F20 C34 -113.3(16) .
F8 Cs1 F20 C34 50.3(16) .
F6 Cs1 F20 C34 -16(3) .
Yb1 Cs1 F20 C34 -29.8(15) .
F23 C46 F22 Cs1 -150.5(8) .
C45 C46 F22 Cs1 -28.6(15) .
C47 C46 F22 Cs1 98.7(12) .
O2 Cs1 F22 C46 -25.6(10) .
O1W Cs1 F22 C46 -147.2(10) .
O6 Cs1 F22 C46 50.8(10) .
O4 Cs1 F22 C46 14.3(11) .
O8 Cs1 F22 C46 10.5(9) .
F2 Cs1 F22 C46 -74.7(10) .
F15 Cs1 F22 C46 96.1(10) .
F20 Cs1 F22 C46 104.6(11) .
F8 Cs1 F22 C46 22.0(17) .
F6 Cs1 F22 C46 -66.3(11) .
Yb1 Cs1 F22 C46 12.3(10) .
F29 C60 F30 Cs2 -151.1(9) .
C61 C60 F30 Cs2 97.8(14) .
C59 C60 F30 Cs2 -31.4(18) .
O2W Cs2 F30 C60 -161.3(13) .
O10 Cs2 F30 C60 12.7(11) .
O12 Cs2 F30 C60 -15.2(12) .
O16 Cs2 F30 C60 58.9(12) .
O14 Cs2 F30 C60 29.4(13) .
F51 Cs2 F30 C60 106.9(12) .
F36 Cs2 F30 C60 -62.9(12) .
F43 Cs2 F30 C60 22(2) .
F48 Cs2 F30 C60 99.2(13) .
F33 Cs2 F30 C60 -63.2(12) .
Yb2 Cs2 F30 C60 21.5(12) .
F34 C62 F33 Cs2 178.3(12) .
F35 C62 F33 Cs2 64(3) .
C61 C62 F33 Cs2 -57(3) .
O2W Cs2 F33 C62 125(2) .
O10 Cs2 F33 C62 -14(2) .
O12 Cs2 F33 C62 -74(2) .
O16 Cs2 F33 C62 -10(2) .
O14 Cs2 F33 C62 -64(2) .
F30 Cs2 F33 C62 49(2) .
F51 Cs2 F33 C62 37(2) .
F36 Cs2 F33 C62 -130(2) .
F43 Cs2 F33 C62 -115(2) .
F48 Cs2 F33 C62 -42(3) .
Yb2 Cs2 F33 C62 -41(2) .
F37 C74 F36 Cs2 -145.3(9) .
C75 C74 F36 Cs2 101.8(13) .
C73 C74 F36 Cs2 -25.2(17) .
O2W Cs2 F36 C74 174.0(12) .
O10 Cs2 F36 C74 48.2(12) .
O12 Cs2 F36 C74 8.1(11) .
O16 Cs2 F36 C74 12.0(13) .
O14 Cs2 F36 C74 -27.7(12) .
F30 Cs2 F36 C74 94.5(12) .
F51 Cs2 F36 C74 18(2) .
F43 Cs2 F36 C74 -73.8(12) .
F48 Cs2 F36 C74 -68.8(13) .
F33 Cs2 F36 C74 94.8(12) .
Yb2 Cs2 F36 C74 10.4(12) .
F44 C88 F43 Cs2 -153.8(8) .
C87 C88 F43 Cs2 -29.0(18) .
C89 C88 F43 Cs2 95.5(12) .
O2W Cs2 F43 C88 -155.3(12) .
O10 Cs2 F43 C88 29.1(13) .
O12 Cs2 F43 C88 59.3(12) .
O16 Cs2 F43 C88 -15.0(12) .
O14 Cs2 F43 C88 12.5(11) .
F30 Cs2 F43 C88 21(2) .
F51 Cs2 F43 C88 -61.6(12) .
F36 Cs2 F43 C88 107.9(12) .
F48 Cs2 F43 C88 -66.6(12) .
F33 Cs2 F43 C88 96.1(12) .
Yb2 Cs2 F43 C88 21.6(12) .
F47 C90 F48 Cs2 172.7(15) .
F49 C90 F48 Cs2 58(4) .
C89 C90 F48 Cs2 -54(4) .
O2W Cs2 F48 C90 158(3) .
O10 Cs2 F48 C90 -60(3) .
O12 Cs2 F48 C90 -5(3) .
O16 Cs2 F48 C90 -69(3) .
O14 Cs2 F48 C90 -10(3) .
F30 Cs2 F48 C90 -114(3) .
F51 Cs2 F48 C90 -124(3) .
F36 Cs2 F48 C90 43(3) .
F43 Cs2 F48 C90 50(3) .
F33 Cs2 F48 C90 -35(4) .
Yb2 Cs2 F48 C90 -36(3) .
F50 C102 F51 Cs2 -140.9(10) .
C101 C102 F51 Cs2 -19.6(17) .
C103 C102 F51 Cs2 103.5(13) .
O2W Cs2 F51 C102 -158.2(12) .
O10 Cs2 F51 C102 -32.0(12) .
O12 Cs2 F51 C102 6.8(13) .
O16 Cs2 F51 C102 5.1(11) .
O14 Cs2 F51 C102 43.9(12) .
F30 Cs2 F51 C102 -80.1(12) .
F36 Cs2 F51 C102 -2(2) .
F43 Cs2 F51 C102 88.2(12) .
F48 Cs2 F51 C102 92.8(12) .
F33 Cs2 F51 C102 -71.2(12) .
Yb2 Cs2 F51 C102 5.8(12) .
C2 C1 O1 Yb1 13(2) .
C8 C1 O1 Yb1 -167.7(9) .
C2 C3 O2 Yb1 12(2) .
C4 C3 O2 Yb1 -171.4(9) .
C2 C3 O2 Cs1 148.5(11) .
C4 C3 O2 Cs1 -35.3(15) .
O1W Cs1 O2 C3 34.2(11) .
O6 Cs1 O2 C3 -149.5(11) .
O4 Cs1 O2 C3 160.1(12) .
O8 Cs1 O2 C3 -97.8(11) .
F2 Cs1 O2 C3 15.7(10) .
F15 Cs1 O2 C3 -163.9(10) .
F20 Cs1 O2 C3 -107.6(11) .
F22 Cs1 O2 C3 -64.5(11) .
F8 Cs1 O2 C3 125.5(11) .
F6 Cs1 O2 C3 77.6(11) .
Yb1 Cs1 O2 C3 -149.4(12) .
O1W Cs1 O2 Yb1 -176.5(3) .
O6 Cs1 O2 Yb1 -0.1(2) .
O4 Cs1 O2 Yb1 -50.5(3) .
O8 Cs1 O2 Yb1 51.5(3) .
F2 Cs1 O2 Yb1 165.1(4) .
F15 Cs1 O2 Yb1 -14.5(4) .
F20 Cs1 O2 Yb1 41.8(3) .
F22 Cs1 O2 Yb1 84.8(3) .
F8 Cs1 O2 Yb1 -85.2(3) .
F6 Cs1 O2 Yb1 -133.0(4) .
C16 C15 O3 Yb1 11(2) .
C22 C15 O3 Yb1 -170.5(9) .
C16 C17 O4 Yb1 -12(2) .
C18 C17 O4 Yb1 169.8(9) .
C16 C17 O4 Cs1 148.4(11) .
C18 C17 O4 Cs1 -29.8(18) .
O2 Cs1 O4 C17 -114.8(12) .
O1W Cs1 O4 C17 -16.2(13) .
O6 Cs1 O4 C17 140.6(13) .
O8 Cs1 O4 C17 -166.6(12) .
F2 Cs1 O4 C17 -88.7(12) .
F15 Cs1 O4 C17 95.9(12) .
F20 Cs1 O4 C17 134.1(12) .
F22 Cs1 O4 C17 -169.4(11) .
F8 Cs1 O4 C17 13.1(11) .
F6 Cs1 O4 C17 -48.4(12) .
Yb1 Cs1 O4 C17 -166.1(13) .
O2 Cs1 O4 Yb1 51.3(3) .
O1W Cs1 O4 Yb1 149.9(4) .
O6 Cs1 O4 Yb1 -53.3(3) .
O8 Cs1 O4 Yb1 -0.5(2) .
F2 Cs1 O4 Yb1 77.4(3) .
F15 Cs1 O4 Yb1 -98.0(3) .
F20 Cs1 O4 Yb1 -59.8(3) .
F22 Cs1 O4 Yb1 -3.3(4) .
F8 Cs1 O4 Yb1 179.2(4) .
F6 Cs1 O4 Yb1 117.7(3) .
C30 C29 O5 Yb1 16(2) .
C36 C29 O5 Yb1 -167.4(8) .
C30 C31 O6 Yb1 10(2) .
C32 C31 O6 Yb1 -170.3(8) .
C30 C31 O6 Cs1 146.0(13) .
C32 C31 O6 Cs1 -34.3(16) .
O2 Cs1 O6 C31 -148.1(12) .
O1W Cs1 O6 C31 22.0(18) .
O4 Cs1 O6 C31 -96.6(12) .
O8 Cs1 O6 C31 161.3(13) .
F2 Cs1 O6 C31 -161.4(11) .
F15 Cs1 O6 C31 15.4(11) .
F20 Cs1 O6 C31 76.1(12) .
F22 Cs1 O6 C31 124.9(12) .
F8 Cs1 O6 C31 -61.6(12) .
F6 Cs1 O6 C31 -105.6(12) .
Yb1 Cs1 O6 C31 -148.2(13) .
O2 Cs1 O6 Yb1 0.1(2) .
O1W Cs1 O6 Yb1 170.2(9) .
O4 Cs1 O6 Yb1 51.5(3) .
O8 Cs1 O6 Yb1 -50.5(3) .
F2 Cs1 O6 Yb1 -13.3(4) .
F15 Cs1 O6 Yb1 163.6(4) .
F20 Cs1 O6 Yb1 -135.8(4) .
F22 Cs1 O6 Yb1 -87.0(3) .
F8 Cs1 O6 Yb1 86.5(3) .
F6 Cs1 O6 Yb1 42.5(3) .
C44 C43 O7 Yb1 15.7(19) .
C50 C43 O7 Yb1 -172.2(9) .
C44 C45 O8 Yb1 -8(2) .
C46 C45 O8 Yb1 171.4(8) .
C44 C45 O8 Cs1 144.3(12) .
C46 C45 O8 Cs1 -36.1(16) .
O2 Cs1 O8 C45 147.3(13) .
O1W Cs1 O8 C45 52.9(13) .
O6 Cs1 O8 C45 -108.3(12) .
O4 Cs1 O8 C45 -159.9(12) .
F2 Cs1 O8 C45 102.6(12) .
F15 Cs1 O8 C45 -83.7(12) .
F20 Cs1 O8 C45 -42.0(11) .
F22 Cs1 O8 C45 16.7(11) .
F8 Cs1 O8 C45 -160.2(11) .
F6 Cs1 O8 C45 143.4(11) .
Yb1 Cs1 O8 C45 -160.4(13) .
O2 Cs1 O8 Yb1 -52.3(3) .
O1W Cs1 O8 Yb1 -146.7(4) .
O6 Cs1 O8 Yb1 52.1(3) .
O4 Cs1 O8 Yb1 0.5(2) .
F2 Cs1 O8 Yb1 -97.0(3) .
F15 Cs1 O8 Yb1 76.7(3) .
F20 Cs1 O8 Yb1 118.4(3) .
F22 Cs1 O8 Yb1 177.1(4) .
F8 Cs1 O8 Yb1 0.2(3) .
F6 Cs1 O8 Yb1 -56.2(3) .
C58 C57 O9 Yb2 9(2) .
C64 C57 O9 Yb2 -169.4(9) .
C58 C59 O10 Yb2 7(2) .
C60 C59 O10 Yb2 -173.5(9) .
C58 C59 O10 Cs2 148.2(12) .
C60 C59 O10 Cs2 -32.6(16) .
O2W Cs2 O10 C59 21.1(13) .
O12 Cs2 O10 C59 157.5(12) .
O16 Cs2 O10 C59 -99.9(12) .
O14 Cs2 O10 C59 -151.6(12) .
F30 Cs2 O10 C59 13.9(11) .
F51 Cs2 O10 C59 -65.1(11) .
F36 Cs2 O10 C59 120.1(11) .
F43 Cs2 O10 C59 -163.9(11) .
F48 Cs2 O10 C59 -111.4(11) .
F33 Cs2 O10 C59 75.3(12) .
Yb2 Cs2 O10 C59 -151.7(12) .
O2W Cs2 O10 Yb2 172.8(4) .
O12 Cs2 O10 Yb2 -50.9(3) .
O16 Cs2 O10 Yb2 51.8(3) .
O14 Cs2 O10 Yb2 0.1(2) .
F30 Cs2 O10 Yb2 165.6(4) .
F51 Cs2 O10 Yb2 86.6(3) .
F36 Cs2 O10 Yb2 -88.2(3) .
F43 Cs2 O10 Yb2 -12.3(4) .
F48 Cs2 O10 Yb2 40.3(4) .
F33 Cs2 O10 Yb2 -133.0(4) .
C72 C71 O11 Yb2 14(2) .
C78 C71 O11 Yb2 -170.4(10) .
C72 C73 O12 Yb2 0(2) .
C74 C73 O12 Yb2 175.4(9) .
C72 C73 O12 Cs2 148.6(12) .
C74 C73 O12 Cs2 -36.1(17) .
O2W Cs2 O12 C73 -7.1(15) .
O10 Cs2 O12 C73 -107.3(12) .
O16 Cs2 O12 C73 -158.7(12) .
O14 Cs2 O12 C73 149.1(13) .
F30 Cs2 O12 C73 -81.0(12) .
F51 Cs2 O12 C73 -159.9(12) .
F36 Cs2 O12 C73 18.0(12) .
F43 Cs2 O12 C73 106.2(12) .
F48 Cs2 O12 C73 143.9(12) .
F33 Cs2 O12 C73 -43.3(12) .
Yb2 Cs2 O12 C73 -158.3(13) .
O2W Cs2 O12 Yb2 151.2(6) .
O10 Cs2 O12 Yb2 51.1(3) .
O16 Cs2 O12 Yb2 -0.3(2) .
O14 Cs2 O12 Yb2 -52.6(3) .
F30 Cs2 O12 Yb2 77.3(3) .
F51 Cs2 O12 Yb2 -1.6(4) .
F36 Cs2 O12 Yb2 176.3(4) .
F43 Cs2 O12 Yb2 -95.5(3) .
F48 Cs2 O12 Yb2 -57.8(4) .
F33 Cs2 O12 Yb2 115.0(4) .
C86 C85 O13 Yb2 13(2) .
C92 C85 O13 Yb2 -169.0(9) .
C86 C87 O14 Yb2 4(2) .
C88 C87 O14 Yb2 -171.4(9) .
C86 C87 O14 Cs2 145.8(13) .
C88 C87 O14 Cs2 -30(2) .
O2W Cs2 O14 C87 42.7(18) .
O10 Cs2 O14 C87 -152.8(14) .
O12 Cs2 O14 C87 -100.8(14) .
O16 Cs2 O14 C87 156.4(14) .
F30 Cs2 O14 C87 -165.5(13) .
F51 Cs2 O14 C87 120.6(13) .
F36 Cs2 O14 C87 -66.8(13) .
F43 Cs2 O14 C87 12.5(13) .
F48 Cs2 O14 C87 73.1(14) .
F33 Cs2 O14 C87 -112.8(13) .
Yb2 Cs2 O14 C87 -152.7(14) .
O2W Cs2 O14 Yb2 -164.7(9) .
O10 Cs2 O14 Yb2 -0.1(2) .
O12 Cs2 O14 Yb2 51.9(3) .
O16 Cs2 O14 Yb2 -50.9(3) .
F30 Cs2 O14 Yb2 -12.9(4) .
F51 Cs2 O14 Yb2 -86.7(3) .
F36 Cs2 O14 Yb2 85.8(3) .
F43 Cs2 O14 Yb2 165.1(4) .
F48 Cs2 O14 Yb2 -134.3(5) .
F33 Cs2 O14 Yb2 39.9(4) .
C100 C99 O15 Yb2 14(2) .
C106 C99 O15 Yb2 -170.7(9) .
C100 C101 O16 Yb2 -8(2) .
C102 C101 O16 Yb2 173.3(9) .
C100 C101 O16 Cs2 145.6(12) .
C102 C101 O16 Cs2 -32.8(17) .
O2W Cs2 O16 C101 40.6(13) .
O10 Cs2 O16 C101 146.1(13) .
O12 Cs2 O16 C101 -161.4(12) .
O14 Cs2 O16 C101 -110.0(12) .
F30 Cs2 O16 C101 102.1(12) .
F51 Cs2 O16 C101 17.1(11) .
F36 Cs2 O16 C101 -164.3(11) .
F43 Cs2 O16 C101 -84.8(12) .
F48 Cs2 O16 C101 -45.6(12) .
F33 Cs2 O16 C101 142.1(12) .
Yb2 Cs2 O16 C101 -161.8(13) .
O2W Cs2 O16 Yb2 -157.6(5) .
O10 Cs2 O16 Yb2 -52.2(3) .
O12 Cs2 O16 Yb2 0.3(2) .
O14 Cs2 O16 Yb2 51.8(3) .
F30 Cs2 O16 Yb2 -96.1(3) .
F51 Cs2 O16 Yb2 178.9(4) .
F36 Cs2 O16 Yb2 -2.6(4) .
F43 Cs2 O16 Yb2 77.0(3) .
F48 Cs2 O16 Yb2 116.2(4) .
F33 Cs2 O16 Yb2 -56.2(4) .
C17 O4 Yb1 O8 167.5(11) .
Cs1 O4 Yb1 O8 0.7(3) .
C17 O4 Yb1 O2 107.9(12) .
Cs1 O4 Yb1 O2 -58.9(3) .
C17 O4 Yb1 O6 -132.2(12) .
Cs1 O4 Yb1 O6 61.0(3) .
C17 O4 Yb1 O7 -92.2(12) .
Cs1 O4 Yb1 O7 100.9(6) .
C17 O4 Yb1 O1 59.7(13) .
Cs1 O4 Yb1 O1 -107.2(4) .
C17 O4 Yb1 O5 -54.3(12) .
Cs1 O4 Yb1 O5 138.8(3) .
C17 O4 Yb1 O3 19.5(11) .
Cs1 O4 Yb1 O3 -147.3(3) .
C17 O4 Yb1 Cs1 166.9(12) .
C45 O8 Yb1 O4 161.0(11) .
Cs1 O8 Yb1 O4 -0.7(3) .
C45 O8 Yb1 O2 -138.7(12) .
Cs1 O8 Yb1 O2 59.7(3) .
C45 O8 Yb1 O6 101.7(11) .
Cs1 O8 Yb1 O6 -59.9(3) .
C45 O8 Yb1 O7 13.9(11) .
Cs1 O8 Yb1 O7 -147.7(3) .
C45 O8 Yb1 O1 -60.6(11) .
Cs1 O8 Yb1 O1 137.8(3) .
C45 O8 Yb1 O5 52.8(13) .
Cs1 O8 Yb1 O5 -108.9(4) .
C45 O8 Yb1 O3 -97.1(12) .
Cs1 O8 Yb1 O3 101.3(6) .
C45 O8 Yb1 Cs1 161.7(12) .
C3 O2 Yb1 O4 -150.5(12) .
Cs1 O2 Yb1 O4 61.1(3) .
C3 O2 Yb1 O8 86.1(11) .
Cs1 O2 Yb1 O8 -62.3(3) .
C3 O2 Yb1 O6 148.5(11) .
Cs1 O2 Yb1 O6 0.1(3) .
C3 O2 Yb1 O7 45.2(13) .
Cs1 O2 Yb1 O7 -103.1(4) .
C3 O2 Yb1 O1 -2.6(11) .
Cs1 O2 Yb1 O1 -151.0(3) .
C3 O2 Yb1 O5 -110.9(11) .
Cs1 O2 Yb1 O5 100.7(6) .
C3 O2 Yb1 O3 -73.4(11) .
Cs1 O2 Yb1 O3 138.2(3) .
C3 O2 Yb1 Cs1 148.4(12) .
C31 O6 Yb1 O4 88.1(11) .
Cs1 O6 Yb1 O4 -62.2(3) .
C31 O6 Yb1 O8 -148.4(12) .
Cs1 O6 Yb1 O8 61.4(3) .
C31 O6 Yb1 O2 150.1(11) .
Cs1 O6 Yb1 O2 -0.1(3) .
C31 O6 Yb1 O7 -71.7(11) .
Cs1 O6 Yb1 O7 138.0(3) .
C31 O6 Yb1 O1 -109.3(12) .
Cs1 O6 Yb1 O1 100.5(6) .
C31 O6 Yb1 O5 -1.2(11) .
Cs1 O6 Yb1 O5 -151.4(3) .
C31 O6 Yb1 O3 45.9(13) .
Cs1 O6 Yb1 O3 -104.3(4) .
C31 O6 Yb1 Cs1 150.2(12) .
C43 O7 Yb1 O4 -128.4(10) .
C43 O7 Yb1 O8 -17.1(10) .
C43 O7 Yb1 O2 22.7(12) .
C43 O7 Yb1 O6 -90.8(10) .
C43 O7 Yb1 O1 71.5(10) .
C43 O7 Yb1 O5 -169.1(10) .
C43 O7 Yb1 O3 130.6(10) .
C43 O7 Yb1 Cs1 -49.4(10) .
C1 O1 Yb1 O4 37.7(13) .
C1 O1 Yb1 O8 -81.1(11) .
C1 O1 Yb1 O2 -9.2(11) .
C1 O1 Yb1 O6 -118.4(11) .
C1 O1 Yb1 O7 -157.5(12) .
C1 O1 Yb1 O5 142.0(11) .
C1 O1 Yb1 O3 79.4(11) .
C1 O1 Yb1 Cs1 -38.0(12) .
C29 O5 Yb1 O4 -81.8(11) .
C29 O5 Yb1 O8 37.4(12) .
C29 O5 Yb1 O2 -119.3(11) .
C29 O5 Yb1 O6 -10.3(10) .
C29 O5 Yb1 O7 77.7(10) .
C29 O5 Yb1 O1 140.7(10) .
C29 O5 Yb1 O3 -158.6(11) .
C29 O5 Yb1 Cs1 -39.3(11) .
C15 O3 Yb1 O4 -17.9(11) .
C15 O3 Yb1 O8 -130.4(11) .
C15 O3 Yb1 O2 -91.3(11) .
C15 O3 Yb1 O6 22.9(13) .
C15 O3 Yb1 O7 129.4(11) .
C15 O3 Yb1 O1 -169.4(11) .
C15 O3 Yb1 O5 71.1(11) .
C15 O3 Yb1 Cs1 -50.6(11) .
O2 Cs1 Yb1 O4 -91.4(4) .
O1W Cs1 Yb1 O4 -82.8(7) .
O6 Cs1 Yb1 O4 88.5(4) .
O8 Cs1 Yb1 O4 179.3(3) .
F2 Cs1 Yb1 O4 -102.6(3) .
F15 Cs1 Yb1 O4 76.3(3) .
F20 Cs1 Yb1 O4 124.8(3) .
F22 Cs1 Yb1 O4 177.2(3) .
F8 Cs1 Yb1 O4 -0.6(3) .
F6 Cs1 Yb1 O4 -53.5(3) .
O2 Cs1 Yb1 O8 89.3(4) .
O1W Cs1 Yb1 O8 97.9(7) .
O6 Cs1 Yb1 O8 -90.8(4) .
O4 Cs1 Yb1 O8 -179.3(3) .
F2 Cs1 Yb1 O8 78.1(3) .
F15 Cs1 Yb1 O8 -103.0(3) .
F20 Cs1 Yb1 O8 -54.5(3) .
F22 Cs1 Yb1 O8 -2.1(3) .
F8 Cs1 Yb1 O8 -179.8(3) .
F6 Cs1 Yb1 O8 127.2(3) .
O1W Cs1 Yb1 O2 8.6(7) .
O6 Cs1 Yb1 O2 179.8(4) .
O4 Cs1 Yb1 O2 91.4(4) .
O8 Cs1 Yb1 O2 -89.3(4) .
F2 Cs1 Yb1 O2 -11.2(3) .
F15 Cs1 Yb1 O2 167.7(3) .
F20 Cs1 Yb1 O2 -143.8(3) .
F22 Cs1 Yb1 O2 -91.5(3) .
F8 Cs1 Yb1 O2 90.8(3) .
F6 Cs1 Yb1 O2 37.9(3) .
O2 Cs1 Yb1 O6 -179.8(4) .
O1W Cs1 Yb1 O6 -171.2(8) .
O4 Cs1 Yb1 O6 -88.5(4) .
O8 Cs1 Yb1 O6 90.8(4) .
F2 Cs1 Yb1 O6 168.9(3) .
F15 Cs1 Yb1 O6 -12.2(3) .
F20 Cs1 Yb1 O6 36.3(3) .
F22 Cs1 Yb1 O6 88.7(3) .
F8 Cs1 Yb1 O6 -89.0(3) .
F6 Cs1 Yb1 O6 -142.0(3) .
O2 Cs1 Yb1 O7 127.5(4) .
O1W Cs1 Yb1 O7 136.1(7) .
O6 Cs1 Yb1 O7 -52.6(4) .
O4 Cs1 Yb1 O7 -141.1(4) .
O8 Cs1 Yb1 O7 38.2(3) .
F2 Cs1 Yb1 O7 116.3(3) .
F15 Cs1 Yb1 O7 -64.8(3) .
F20 Cs1 Yb1 O7 -16.3(3) .
F22 Cs1 Yb1 O7 36.1(3) .
F8 Cs1 Yb1 O7 -141.7(3) .
F6 Cs1 Yb1 O7 165.4(3) .
O2 Cs1 Yb1 O1 35.0(3) .
O1W Cs1 Yb1 O1 43.6(7) .
O6 Cs1 Yb1 O1 -145.1(4) .
O4 Cs1 Yb1 O1 126.4(4) .
O8 Cs1 Yb1 O1 -54.3(4) .
F2 Cs1 Yb1 O1 23.8(3) .
F15 Cs1 Yb1 O1 -157.3(3) .
F20 Cs1 Yb1 O1 -108.8(3) .
F22 Cs1 Yb1 O1 -56.4(3) .
F8 Cs1 Yb1 O1 125.9(3) .
F6 Cs1 Yb1 O1 72.9(3) .
O2 Cs1 Yb1 O5 -145.0(4) .
O1W Cs1 Yb1 O5 -136.4(7) .
O6 Cs1 Yb1 O5 34.9(4) .
O4 Cs1 Yb1 O5 -53.6(3) .
O8 Cs1 Yb1 O5 125.7(4) .
F2 Cs1 Yb1 O5 -156.2(3) .
F15 Cs1 Yb1 O5 22.7(3) .
F20 Cs1 Yb1 O5 71.2(3) .
F22 Cs1 Yb1 O5 123.6(3) .
F8 Cs1 Yb1 O5 -54.2(3) .
F6 Cs1 Yb1 O5 -107.1(3) .
O2 Cs1 Yb1 O3 -52.6(4) .
O1W Cs1 Yb1 O3 -44.0(7) .
O6 Cs1 Yb1 O3 127.3(4) .
O4 Cs1 Yb1 O3 38.8(4) .
O8 Cs1 Yb1 O3 -141.9(4) .
F2 Cs1 Yb1 O3 -63.8(3) .
F15 Cs1 Yb1 O3 115.1(3) .
F20 Cs1 Yb1 O3 163.6(3) .
F22 Cs1 Yb1 O3 -144.0(3) .
F8 Cs1 Yb1 O3 38.3(3) .
F6 Cs1 Yb1 O3 -14.7(3) .
C101 O16 Yb2 O12 161.5(12) .
Cs2 O16 Yb2 O12 -0.5(3) .
C101 O16 Yb2 O10 -137.7(12) .
Cs2 O16 Yb2 O10 60.3(3) .
C101 O16 Yb2 O14 100.3(12) .
Cs2 O16 Yb2 O14 -61.7(3) .
C101 O16 Yb2 O9 -60.0(12) .
Cs2 O16 Yb2 O9 138.0(3) .
C101 O16 Yb2 O11 -101.4(13) .
Cs2 O16 Yb2 O11 96.6(7) .
C101 O16 Yb2 O13 54.2(13) .
Cs2 O16 Yb2 O13 -107.8(4) .
C101 O16 Yb2 O15 12.4(12) .
Cs2 O16 Yb2 O15 -149.6(3) .
C101 O16 Yb2 Cs2 162.0(13) .
C73 O12 Yb2 O16 158.4(12) .
Cs2 O12 Yb2 O16 0.5(3) .
C73 O12 Yb2 O10 98.4(13) .
Cs2 O12 Yb2 O10 -59.5(3) .
C73 O12 Yb2 O14 -139.6(13) .
Cs2 O12 Yb2 O14 62.5(3) .
C73 O12 Yb2 O9 50.2(14) .
Cs2 O12 Yb2 O9 -107.7(4) .
C73 O12 Yb2 O11 9.5(12) .
Cs2 O12 Yb2 O11 -148.4(3) .
C73 O12 Yb2 O13 -62.9(13) .
Cs2 O12 Yb2 O13 139.3(3) .
C73 O12 Yb2 O15 -103.3(13) .
Cs2 O12 Yb2 O15 98.8(6) .
C73 O12 Yb2 Cs2 157.9(13) .
C59 O10 Yb2 O16 92.1(11) .
Cs2 O10 Yb2 O16 -61.2(3) .
C59 O10 Yb2 O12 -146.5(11) .
Cs2 O10 Yb2 O12 60.2(3) .
C59 O10 Yb2 O14 153.2(11) .
Cs2 O10 Yb2 O14 -0.1(3) .
C59 O10 Yb2 O9 1.3(11) .
Cs2 O10 Yb2 O9 -152.0(3) .
C59 O10 Yb2 O11 -70.5(11) .
Cs2 O10 Yb2 O11 136.2(3) .
C59 O10 Yb2 O13 -105.0(11) .
Cs2 O10 Yb2 O13 101.7(6) .
C59 O10 Yb2 O15 48.8(12) .
Cs2 O10 Yb2 O15 -104.5(4) .
C59 O10 Yb2 Cs2 153.3(12) .
C87 O14 Yb2 O16 -145.6(13) .
Cs2 O14 Yb2 O16 60.0(3) .
C87 O14 Yb2 O12 93.8(13) .
Cs2 O14 Yb2 O12 -60.7(3) .
C87 O14 Yb2 O10 154.6(12) .
Cs2 O14 Yb2 O10 0.1(3) .
C87 O14 Yb2 O9 -100.5(14) .
Cs2 O14 Yb2 O9 105.0(7) .
C87 O14 Yb2 O11 49.6(14) .
Cs2 O14 Yb2 O11 -104.9(4) .
C87 O14 Yb2 O13 3.7(12) .
Cs2 O14 Yb2 O13 -150.7(3) .
C87 O14 Yb2 O15 -68.8(13) .
Cs2 O14 Yb2 O15 136.8(3) .
C87 O14 Yb2 Cs2 154.5(13) .
C57 O9 Yb2 O16 -79.7(11) .
C57 O9 Yb2 O12 38.0(13) .
C57 O9 Yb2 O10 -8.7(11) .
C57 O9 Yb2 O14 -122.3(11) .
C57 O9 Yb2 O11 79.8(11) .
C57 O9 Yb2 O13 141.9(11) .
C57 O9 Yb2 O15 -155.6(12) .
C57 O9 Yb2 Cs2 -36.9(12) .
C71 O11 Yb2 O16 -122.7(12) .
C71 O11 Yb2 O12 -15.7(12) .
C71 O11 Yb2 O10 -88.7(13) .
C71 O11 Yb2 O14 27.5(15) .
C71 O11 Yb2 O9 -167.0(13) .
C71 O11 Yb2 O13 74.6(13) .
C71 O11 Yb2 O15 133.7(12) .
C71 O11 Yb2 Cs2 -46.5(13) .
C85 O13 Yb2 O16 33.6(13) .
C85 O13 Yb2 O12 -83.4(12) .
C85 O13 Yb2 O10 -122.7(12) .
C85 O13 Yb2 O14 -11.5(11) .
C85 O13 Yb2 O9 139.3(11) .
C85 O13 Yb2 O11 -159.0(12) .
C85 O13 Yb2 O15 76.5(12) .
C85 O13 Yb2 Cs2 -41.9(12) .
C99 O15 Yb2 O16 -14.6(10) .
C99 O15 Yb2 O12 -122.7(11) .
C99 O15 Yb2 O10 27.3(12) .
C99 O15 Yb2 O14 -88.4(10) .
C99 O15 Yb2 O9 76.3(10) .
C99 O15 Yb2 O11 135.1(10) .
C99 O15 Yb2 O13 -165.7(11) .
C99 O15 Yb2 Cs2 -44.8(11) .
O2W Cs2 Yb2 O16 69.0(12) .
O10 Cs2 Yb2 O16 89.2(4) .
O12 Cs2 Yb2 O16 -179.4(3) .
O14 Cs2 Yb2 O16 -90.6(4) .
F30 Cs2 Yb2 O16 78.5(3) .
F51 Cs2 Yb2 O16 -0.8(3) .
F36 Cs2 Yb2 O16 177.8(3) .
F43 Cs2 Yb2 O16 -101.4(3) .
F48 Cs2 Yb2 O16 -54.5(4) .
F33 Cs2 Yb2 O16 125.9(4) .
O2W Cs2 Yb2 O12 -111.5(12) .
O10 Cs2 Yb2 O12 -91.3(4) .
O16 Cs2 Yb2 O12 179.4(3) .
O14 Cs2 Yb2 O12 88.8(4) .
F30 Cs2 Yb2 O12 -102.1(3) .
F51 Cs2 Yb2 O12 178.6(3) .
F36 Cs2 Yb2 O12 -2.7(3) .
F43 Cs2 Yb2 O12 78.0(3) .
F48 Cs2 Yb2 O12 125.0(4) .
F33 Cs2 Yb2 O12 -54.7(4) .
O2W Cs2 Yb2 O10 -20.2(12) .
O12 Cs2 Yb2 O10 91.3(4) .
O16 Cs2 Yb2 O10 -89.2(4) .
O14 Cs2 Yb2 O10 -179.8(3) .
F30 Cs2 Yb2 O10 -10.7(3) .
F51 Cs2 Yb2 O10 -90.0(3) .
F36 Cs2 Yb2 O10 88.6(3) .
F43 Cs2 Yb2 O10 169.4(3) .
F48 Cs2 Yb2 O10 -143.7(4) .
F33 Cs2 Yb2 O10 36.7(4) .
O2W Cs2 Yb2 O14 159.7(12) .
O10 Cs2 Yb2 O14 179.8(3) .
O12 Cs2 Yb2 O14 -88.8(4) .
O16 Cs2 Yb2 O14 90.6(4) .
F30 Cs2 Yb2 O14 169.1(3) .
F51 Cs2 Yb2 O14 89.8(3) .
F36 Cs2 Yb2 O14 -91.6(3) .
F43 Cs2 Yb2 O14 -10.8(3) .
F48 Cs2 Yb2 O14 36.1(4) .
F33 Cs2 Yb2 O14 -143.5(4) .
O2W Cs2 Yb2 O9 14.0(12) .
O10 Cs2 Yb2 O9 34.2(4) .
O12 Cs2 Yb2 O9 125.5(4) .
O16 Cs2 Yb2 O9 -55.0(4) .
O14 Cs2 Yb2 O9 -145.6(4) .
F30 Cs2 Yb2 O9 23.5(3) .
F51 Cs2 Yb2 O9 -55.8(3) .
F36 Cs2 Yb2 O9 122.8(3) .
F43 Cs2 Yb2 O9 -156.4(3) .
F48 Cs2 Yb2 O9 -109.5(4) .
F33 Cs2 Yb2 O9 70.9(4) .
O2W Cs2 Yb2 O11 -74.8(12) .
O10 Cs2 Yb2 O11 -54.6(4) .
O12 Cs2 Yb2 O11 36.7(4) .
O16 Cs2 Yb2 O11 -143.8(4) .
O14 Cs2 Yb2 O11 125.5(4) .
F30 Cs2 Yb2 O11 -65.4(3) .
F51 Cs2 Yb2 O11 -144.6(3) .
F36 Cs2 Yb2 O11 34.0(3) .
F43 Cs2 Yb2 O11 114.8(3) .
F48 Cs2 Yb2 O11 161.7(4) .
F33 Cs2 Yb2 O11 -17.9(3) .
O2W Cs2 Yb2 O13 -164.6(12) .
O10 Cs2 Yb2 O13 -144.5(4) .
O12 Cs2 Yb2 O13 -53.1(4) .
O16 Cs2 Yb2 O13 126.3(4) .
O14 Cs2 Yb2 O13 35.7(4) .
F30 Cs2 Yb2 O13 -155.2(3) .
F51 Cs2 Yb2 O13 125.5(3) .
F36 Cs2 Yb2 O13 -55.9(3) .
F43 Cs2 Yb2 O13 24.9(3) .
F48 Cs2 Yb2 O13 71.8(4) .
F33 Cs2 Yb2 O13 -107.8(4) .
O2W Cs2 Yb2 O15 105.0(12) .
O10 Cs2 Yb2 O15 125.2(4) .
O12 Cs2 Yb2 O15 -143.5(4) .
O16 Cs2 Yb2 O15 36.0(3) .
O14 Cs2 Yb2 O15 -54.7(4) .
F30 Cs2 Yb2 O15 114.4(3) .
F51 Cs2 Yb2 O15 35.2(3) .
F36 Cs2 Yb2 O15 -146.2(3) .
F43 Cs2 Yb2 O15 -65.4(3) .
F48 Cs2 Yb2 O15 -18.5(4) .
F33 Cs2 Yb2 O15 161.9(3) .
