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#$Date: 2024-11-16 00:24:31 +0200 (Sat, 16 Nov 2024) $
#$Revision: 295947 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/03/4120367.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_4120367
loop_
_publ_author_name
'Wenjun Zhang'
'Mitsuaki Suzuki'
'Yunpeng Xie'
'Lipiao Bao'
'Wenting Cai'
'Zdenek Slanina'
'Shigeru Nagase'
'Ming Xu'
'Takeshi Akasaka'
'Xing Lu'
_publ_contact_author_address
;School of Materials Science and Engineering
Huazhong University of Science and Technology
Wuhan, Hubei 430074, China
;
_publ_contact_author_email       lux@hust.edu.cn
_publ_contact_author_fax         +86-87559404
_publ_contact_author_name        'Xing LU'
_publ_contact_author_phone       +86-87559404
_publ_section_title
;
 Molecular Structure and Chemical Property of a Divalent Metallofullerene
 Yb@C2(13)-C84
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12730
_journal_page_last               12735
_journal_paper_doi               10.1021/ja405223t
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C68.67 H13.33 Cl2 Yb0.67'
_chemical_formula_weight         1024.39
_chemical_name_common            Yb@C2(13)-C84-Ad
_chemical_name_systematic
; 
 YbC84(II)Ad 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.147(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   22.135(5)
_cell_length_b                   11.333(3)
_cell_length_c                   22.798(6)
_cell_measurement_temperature    120(2)
_cell_volume                     5403(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.683
_diffrn_measurement_device_type  IPDSC
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.00000
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31583
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         50.28
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    5.108
_exptl_absorpt_correction_T_max  0.6291
_exptl_absorpt_correction_T_min  0.3095
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_description       Block
_exptl_crystal_F_000             3036
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.500
_refine_diff_density_min         -1.055
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.624
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3354
_refine_ls_number_reflns         14067
_refine_ls_number_restraints     12447
_refine_ls_restrained_S_all      1.222
_refine_ls_R_factor_all          0.2056
_refine_ls_R_factor_gt           0.1545
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4140
_refine_ls_wR_factor_ref         0.4395
_reflns_number_gt                7179
_reflns_number_total             14067
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja405223t_si_002.cif
_cod_data_source_block           YbC84(II)Ad
_cod_database_code               4120367
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.29900(4) 1.05850(6) 1.00429(5) 0.0527(3) Uani 0.29 1 d P A 1
C1N C 0.1466(5) 0.6125(12) 1.1828(7) 0.088(6) Uani 0.458(8) 1 d PD A 1
H1N H 0.1845 0.6623 1.2051 0.106 Uiso 0.458(8) 1 calc PR A 1
C2N C 0.0755(6) 0.5436(8) 1.0799(6) 0.066(4) Uani 0.458(8) 1 d PD A 1
H2N H 0.0646 0.5498 1.0338 0.079 Uiso 0.458(8) 1 calc PR A 1
C3N C 0.0898(6) 0.4215(8) 1.0981(6) 0.062(4) Uani 0.458(8) 1 d PD A 1
H3N1 H 0.1270 0.3954 1.0866 0.074 Uiso 0.458(8) 1 calc PR A 1
H3N2 H 0.0528 0.3716 1.0754 0.074 Uiso 0.458(8) 1 calc PR A 1
C4N C 0.1628(5) 0.4789(14) 1.1991(8) 0.104(8) Uani 0.458(8) 1 d PD A 1
H4N1 H 0.1988 0.4543 1.1851 0.125 Uiso 0.458(8) 1 calc PR A 1
H4N2 H 0.1757 0.4673 1.2446 0.125 Uiso 0.458(8) 1 calc PR A 1
C5N C 0.0151(5) 0.5856(10) 1.0987(6) 0.047(3) Uani 0.458(8) 1 d PD A 1
H5N1 H 0.0046 0.6687 1.0860 0.056 Uiso 0.458(8) 1 calc PR A 1
H5N2 H -0.0226 0.5362 1.0773 0.056 Uiso 0.458(8) 1 calc PR A 1
C6N C 0.0898(6) 0.6498(13) 1.2012(7) 0.072(4) Uani 0.458(8) 1 d PD A 1
H6N1 H 0.0801 0.7339 1.1904 0.087 Uiso 0.458(8) 1 calc PR A 1
H6N2 H 0.1002 0.6413 1.2466 0.087 Uiso 0.458(8) 1 calc PR A 1
C7N C 0.0312(6) 0.5742(11) 1.1677(7) 0.075(5) Uani 0.458(8) 1 d PD A 1
H7N H -0.0060 0.6022 1.1797 0.090 Uiso 0.458(8) 1 calc PR A 1
C8N C 0.1041(5) 0.4048(9) 1.1668(6) 0.058(3) Uani 0.458(8) 1 d PDU A 1
H8N H 0.1125 0.3197 1.1782 0.069 Uiso 0.458(8) 1 calc PR A 1
C9N C 0.0482(5) 0.4558(9) 1.1917(5) 0.034(2) Uani 0.458(8) 1 d PDU A 1
H9N1 H 0.0102 0.4039 1.1776 0.041 Uiso 0.458(8) 1 calc PR A 1
H9N2 H 0.0635 0.4573 1.2377 0.041 Uiso 0.458(8) 1 calc PR A 1
C10N C 0.1315(4) 0.6253(9) 1.1109(5) 0.036(3) Uani 0.458(8) 1 d PDU A 1
C02A C 0.2378(4) 0.5612(10) 1.0104(5) 0.082(3) Uani 0.502(3) 1 d PDU A 1
C03A C 0.1832(4) 0.5891(9) 1.0279(5) 0.076(3) Uani 0.502(3) 1 d PDU A 1
C04A C 0.2967(4) 0.5833(9) 1.0438(6) 0.090(3) Uani 0.502(3) 1 d PDU A 1
C05A C 0.1909(5) 0.6126(11) 1.0943(5) 0.082(3) Uani 0.502(3) 1 d PDU A 1
C06A C 0.0552(7) 0.7945(12) 0.9178(6) 0.095(4) Uani 0.502(3) 1 d PDU A 1
C07A C 0.1332(4) 0.6264(10) 0.9736(5) 0.081(3) Uani 0.502(3) 1 d PDU A 1
C08A C 0.0864(5) 0.7207(9) 0.9746(6) 0.082(3) Uani 0.502(3) 1 d PDU A 1
C09A C 0.0901(5) 0.7887(12) 1.0275(7) 0.079(3) Uani 0.502(3) 1 d PDU A 1
C10A C 0.0837(5) 0.9174(11) 1.0266(7) 0.079(3) Uani 0.502(3) 1 d PDU A 1
C11A C 0.1303(6) 0.7498(10) 1.0906(8) 0.084(3) Uani 0.502(3) 1 d PDU A 1
C12A C 0.1154(5) 0.9902(9) 1.0720(7) 0.085(3) Uani 0.502(3) 1 d PDU A 1
C13A C 0.3300(7) 0.6421(12) 0.9602(8) 0.094(3) Uani 0.502(3) 1 d PDU A 1
C14A C 0.2678(6) 0.6200(11) 0.9168(7) 0.087(3) Uani 0.502(3) 1 d PDU A 1
C15A C 0.3473(5) 0.6249(9) 1.0228(5) 0.089(3) Uani 0.502(3) 1 d PDU A 1
C16A C 0.2223(5) 0.5844(9) 0.9452(5) 0.078(3) Uani 0.502(3) 1 d PDU A 1
C17A C 0.1770(7) 0.6930(13) 0.8325(7) 0.095(3) Uani 0.502(3) 1 d PDU A 1
C18A C 0.2458(5) 0.6827(11) 0.8576(6) 0.093(3) Uani 0.502(3) 1 d PDU A 1
C19A C 0.2890(6) 0.7609(9) 0.8391(6) 0.095(3) Uani 0.502(3) 1 d PDU A 1
C20A C 0.1468(6) 0.8107(9) 0.7911(7) 0.095(3) Uani 0.502(3) 1 d PDU A 1
C21A C 0.1916(6) 0.8798(11) 0.7743(9) 0.109(4) Uani 0.502(3) 1 d PDU A 1
C22A C 0.2624(5) 0.8622(9) 0.8018(5) 0.090(3) Uani 0.502(3) 1 d PDU A 1
C23A C 0.1555(5) 0.6147(11) 0.9220(5) 0.089(3) Uani 0.502(3) 1 d PDU A 1
C24A C 0.0737(8) 0.7596(10) 0.8666(7) 0.101(4) Uani 0.502(3) 1 d PDU A 1
C25A C 0.1295(6) 0.6738(12) 0.8681(6) 0.091(3) Uani 0.502(3) 1 d PDU A 1
C26A C 0.3875(4) 0.6985(10) 1.0702(6) 0.095(3) Uani 0.502(3) 1 d PDU A 1
C27A C 0.3509(5) 0.7924(9) 0.8802(6) 0.095(4) Uani 0.502(3) 1 d PDU A 1
C28A C 0.3836(7) 0.7371(11) 0.9511(8) 0.096(3) Uani 0.502(3) 1 d PDU A 1
C29A C 0.4168(6) 0.8005(8) 0.9895(5) 0.089(3) Uani 0.502(3) 1 d PDU A 1
C30A C 0.4210(5) 0.7887(7) 1.0529(5) 0.096(3) Uani 0.502(3) 1 d PDU A 1
C31A C 0.3605(5) 0.9156(9) 0.8720(5) 0.077(3) Uani 0.502(3) 1 d PDU A 1
C32A C 0.4002(7) 0.9769(12) 0.9282(7) 0.079(3) Uani 0.502(3) 1 d PDU A 1
C33A C 0.4272(5) 0.9225(9) 0.9790(5) 0.080(3) Uani 0.502(3) 1 d PDU A 1
C34A C 0.3783(5) 1.1036(8) 0.9235(5) 0.069(3) Uani 0.502(3) 1 d PDU A 1
C35A C 0.3238(5) 1.1511(11) 0.8790(4) 0.072(3) Uani 0.502(3) 1 d PDU A 1
C36A C 0.2842(6) 1.0795(10) 0.8290(6) 0.069(3) Uani 0.502(3) 1 d PDU A 1
C37A C 0.3057(6) 0.9590(8) 0.8239(7) 0.073(3) Uani 0.502(3) 1 d PDU A 1
C38A C 0.3712(6) 1.0469(9) 1.1228(7) 0.089(3) Uani 0.502(3) 1 d PDU A 1
C39A C 0.3933(7) 0.9319(8) 1.1229(7) 0.086(3) Uani 0.502(3) 1 d PDU A 1
C40A C 0.4267(5) 0.9035(8) 1.0794(5) 0.085(3) Uani 0.502(3) 1 d PDU A 1
C41A C 0.4341(5) 0.9854(8) 1.0350(5) 0.073(3) Uani 0.502(3) 1 d PDU A 1
C42A C 0.3882(5) 1.1640(8) 0.9804(5) 0.076(3) Uani 0.502(3) 1 d PDU A 1
C43A C 0.4136(5) 1.1098(9) 1.0384(6) 0.073(3) Uani 0.502(3) 1 d PDU A 1
C44A C 0.3872(5) 1.1415(8) 1.0897(6) 0.083(3) Uani 0.502(3) 1 d PDU A 1
C45A C 0.3545(5) 0.8315(9) 1.1372(7) 0.080(3) Uani 0.502(3) 1 d PDU A 1
C46A C 0.3537(6) 0.7243(10) 1.1124(6) 0.091(3) Uani 0.502(3) 1 d PDU A 1
C47A C 0.3029(4) 0.6425(9) 1.1005(5) 0.088(3) Uani 0.502(3) 1 d PDU A 1
C48A C 0.2996(5) 0.8663(10) 1.1563(6) 0.074(3) Uani 0.502(3) 1 d PDU A 1
C49A C 0.2453(6) 0.7895(13) 1.1459(8) 0.077(3) Uani 0.502(3) 1 d PDU A 1
C50A C 0.2521(6) 0.6774(11) 1.1228(7) 0.079(3) Uani 0.502(3) 1 d PDU A 1
C51A C 0.3170(5) 1.0818(9) 1.1385(6) 0.084(3) Uani 0.502(3) 1 d PDU A 1
C52A C 0.2873(8) 1.0003(15) 1.1567(9) 0.092(3) Uani 0.502(3) 1 d PDU A 1
C53A C 0.2150(5) 1.0357(11) 1.1381(7) 0.099(4) Uani 0.502(3) 1 d PDU A 1
C54A C 0.1678(6) 0.9468(9) 1.1210(7) 0.089(3) Uani 0.502(3) 1 d PDU A 1
C55A C 0.1764(6) 0.8323(12) 1.1283(7) 0.086(3) Uani 0.502(3) 1 d PDU A 1
C56A C 0.2973(5) 1.1946(9) 1.1115(6) 0.097(3) Uani 0.502(3) 1 d PDU A 1
C57A C 0.2092(5) 1.2789(8) 1.0331(5) 0.086(3) Uani 0.502(3) 1 d PDU A 1
C58A C 0.2319(6) 1.2244(12) 1.0877(7) 0.097(3) Uani 0.502(3) 1 d PDU A 1
C59A C 0.1886(5) 1.1383(8) 1.1052(6) 0.084(3) Uani 0.502(3) 1 d PDU A 1
C60A C 0.3390(6) 1.2496(11) 0.9705(5) 0.091(4) Uani 0.502(3) 1 d PDU A 1
C61A C 0.3121(7) 1.2866(11) 1.0175(7) 0.100(3) Uani 0.502(3) 1 d PDU A 1
C62A C 0.3366(6) 1.2238(9) 1.0753(6) 0.095(3) Uani 0.502(3) 1 d PDU A 1
C63A C 0.2458(5) 1.3119(12) 0.9947(5) 0.096(3) Uani 0.502(3) 1 d PDU A 1
C64A C 0.1425(5) 1.2743(13) 0.9314(5) 0.097(3) Uani 0.502(3) 1 d PDU A 1
C65A C 0.1457(5) 1.2553(8) 0.9946(5) 0.086(3) Uani 0.502(3) 1 d PDU A 1
C66A C 0.1052(6) 1.1650(11) 1.0025(6) 0.101(3) Uani 0.502(3) 1 d PDU A 1
C67A C 0.1277(5) 1.1095(8) 1.0631(5) 0.079(3) Uani 0.502(3) 1 d PDU A 1
C68A C 0.1078(6) 1.2287(10) 0.8833(6) 0.110(4) Uani 0.502(3) 1 d PDU A 1
C69A C 0.2979(5) 1.2389(8) 0.9080(5) 0.088(3) Uani 0.502(3) 1 d PDU A 1
C70A C 0.2346(8) 1.2549(12) 0.8853(8) 0.086(3) Uani 0.502(3) 1 d PDU A 1
C71A C 0.2047(5) 1.3052(8) 0.9320(5) 0.079(3) Uani 0.502(3) 1 d PDU A 1
C72A C 0.1107(6) 1.0007(10) 0.7777(8) 0.110(4) Uani 0.502(3) 1 d PDU A 1
C73A C 0.1743(6) 0.9995(10) 0.7770(7) 0.103(4) Uani 0.502(3) 1 d PDU A 1
C74A C 0.2174(6) 1.0974(13) 0.8034(8) 0.083(3) Uani 0.502(3) 1 d PDU A 1
C75A C 0.0902(6) 1.0866(11) 0.8050(6) 0.101(3) Uani 0.502(3) 1 d PDU A 1
C76A C 0.1293(6) 1.1875(12) 0.8331(7) 0.101(4) Uani 0.502(3) 1 d PDU A 1
C77A C 0.1959(7) 1.1964(11) 0.8343(7) 0.084(3) Uani 0.502(3) 1 d PDU A 1
C78A C 0.0403(7) 0.9512(9) 0.8520(5) 0.097(4) Uani 0.502(3) 1 d PDU A 1
C79A C 0.0543(8) 0.8500(11) 0.8218(5) 0.114(4) Uani 0.502(3) 1 d PDU A 1
C80A C 0.0941(5) 0.8840(11) 0.7879(8) 0.112(4) Uani 0.502(3) 1 d PDU A 1
C81A C 0.0504(5) 1.0572(10) 0.8421(7) 0.102(4) Uani 0.502(3) 1 d PDU A 1
C82A C 0.0639(7) 1.0965(11) 0.9532(6) 0.112(4) Uani 0.502(3) 1 d PDU A 1
C83A C 0.0576(6) 0.9753(11) 0.9686(6) 0.097(3) Uani 0.502(3) 1 d PDU A 1
C84A C 0.0394(8) 0.9155(12) 0.9106(5) 0.092(3) Uani 0.502(3) 1 d PDU A 1
C85A C 0.0666(6) 1.1374(12) 0.8946(6) 0.105(3) Uani 0.502(3) 1 d PDU A 1
Yb2 Yb 0.32279(3) 0.93879(9) 0.97496(5) 0.0661(4) Uani 0.32 1 d P A 2
C1M C 0.1630(4) 0.5584(7) 1.1654(5) 0.049(3) Uani 0.542(8) 1 d PD A 2
H1M H 0.2097 0.5673 1.1721 0.059 Uiso 0.542(8) 1 calc PR A 2
C2M C 0.0556(5) 0.6410(10) 1.1098(5) 0.081(4) Uani 0.542(8) 1 d PD A 2
H2M H 0.0298 0.6979 1.0779 0.097 Uiso 0.542(8) 1 calc PR A 2
C3M C 0.0460(6) 0.6637(8) 1.1693(6) 0.072(4) Uani 0.542(8) 1 d PD A 2
H3M1 H -0.0004 0.6632 1.1633 0.087 Uiso 0.542(8) 1 calc PR A 2
H3M2 H 0.0628 0.7430 1.1844 0.087 Uiso 0.542(8) 1 calc PR A 2
C4M C 0.1507(4) 0.5844(7) 1.2281(5) 0.050(3) Uani 0.542(8) 1 d PD A 2
H4M1 H 0.1750 0.5280 1.2603 0.060 Uiso 0.542(8) 1 calc PR A 2
H4M2 H 0.1652 0.6652 1.2424 0.060 Uiso 0.542(8) 1 calc PR A 2
C5M C 0.0334(7) 0.5071(12) 1.0883(6) 0.109(7) Uani 0.542(8) 1 d PD A 2
H5M1 H -0.0125 0.4975 1.0831 0.130 Uiso 0.542(8) 1 calc PR A 2
H5M2 H 0.0394 0.4906 1.0480 0.130 Uiso 0.542(8) 1 calc PR A 2
C6M C 0.1440(6) 0.4313(8) 1.1488(6) 0.064(4) Uani 0.542(8) 1 d PD A 2
H6M1 H 0.1673 0.3785 1.1835 0.077 Uiso 0.542(8) 1 calc PR A 2
H6M2 H 0.1545 0.4079 1.1114 0.077 Uiso 0.542(8) 1 calc PR A 2
C7M C 0.0723(6) 0.4222(10) 1.1364(7) 0.078(3) Uani 0.542(8) 1 d PDU A 2
H7M H 0.0586 0.3404 1.1213 0.094 Uiso 0.542(8) 1 calc PR A 2
C8M C 0.0791(5) 0.5726(6) 1.2178(5) 0.046(2) Uani 0.542(8) 1 d PD A 2
H8M H 0.0702 0.5880 1.2574 0.056 Uiso 0.542(8) 1 calc PR A 2
C9M C 0.0610(6) 0.4378(10) 1.1954(6) 0.059(4) Uani 0.542(8) 1 d PDU A 2
H9M1 H 0.0877 0.3823 1.2267 0.071 Uiso 0.542(8) 1 calc PR A 2
H9M2 H 0.0155 0.4222 1.1902 0.071 Uiso 0.542(8) 1 calc PR A 2
C10M C 0.1252(4) 0.6507(8) 1.1155(4) 0.043(2) Uani 0.542(8) 1 d PDU A 2
C02B C 0.1372(7) 0.9826(10) 1.1073(7) 0.054(3) Uani 0.367(3) 1 d PDU A 2
C03B C 0.1179(5) 0.8656(8) 1.0923(5) 0.048(2) Uani 0.367(3) 1 d PDU A 2
C04B C 0.1929(6) 1.0118(10) 1.1427(7) 0.052(3) Uani 0.367(3) 1 d PDU A 2
C05B C 0.1557(5) 0.7690(9) 1.1296(6) 0.036(2) Uani 0.367(3) 1 d PDU A 2
C06B C 0.0588(11) 0.7731(15) 0.9161(7) 0.067(3) Uani 0.367(3) 1 d PDU A 2
C07B C 0.0766(6) 0.8530(12) 1.0288(6) 0.052(2) Uani 0.367(3) 1 d PDU A 2
C08B C 0.0773(8) 0.7531(13) 0.9857(7) 0.065(3) Uani 0.367(3) 1 d PDU A 2
C09B C 0.1243(7) 0.6659(12) 1.0012(7) 0.063(3) Uani 0.367(3) 1 d PDU A 2
C10B C 0.1577(7) 0.6227(12) 0.9587(7) 0.059(3) Uani 0.367(3) 1 d PDU A 2
C11B C 0.1601(7) 0.6376(12) 1.0672(7) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C12B C 0.2166(7) 0.5863(15) 0.9796(7) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C13B C 0.1995(7) 1.1777(12) 1.0847(7) 0.062(3) Uani 0.367(3) 1 d PDU A 2
C14B C 0.1387(6) 1.1563(13) 1.0421(7) 0.062(3) Uani 0.367(3) 1 d PDU A 2
C15B C 0.2320(6) 1.1112(9) 1.1352(6) 0.055(2) Uani 0.367(3) 1 d PDU A 2
C16B C 0.1054(6) 1.0542(12) 1.0536(6) 0.056(2) Uani 0.367(3) 1 d PDU A 2
C17B C 0.0729(8) 1.1245(12) 0.9342(7) 0.062(3) Uani 0.367(3) 1 d PDU A 2
C18B C 0.1190(6) 1.1941(11) 0.9772(6) 0.059(2) Uani 0.367(3) 1 d PDU A 2
C19B C 0.1616(7) 1.2726(15) 0.9562(7) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C20B C 0.0667(8) 1.1146(12) 0.8611(7) 0.065(3) Uani 0.367(3) 1 d PDU A 2
C21B C 0.1114(7) 1.1873(14) 0.8465(8) 0.067(3) Uani 0.367(3) 1 d PDU A 2
C22B C 0.1600(6) 1.2602(10) 0.8939(6) 0.064(3) Uani 0.367(3) 1 d PDU A 2
C23B C 0.0717(8) 0.9701(12) 1.0059(6) 0.059(3) Uani 0.367(3) 1 d PDU A 2
C24B C 0.0397(13) 0.8908(14) 0.9016(7) 0.059(3) Uani 0.367(3) 1 d PDU A 2
C25B C 0.0500(10) 0.9999(13) 0.9456(7) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C26B C 0.2967(6) 1.0735(12) 1.1576(8) 0.068(3) Uani 0.367(3) 1 d PDU A 2
C27B C 0.2249(6) 1.2943(15) 0.9923(7) 0.072(3) Uani 0.367(3) 1 d PDU A 2
C28B C 0.2569(8) 1.2486(11) 1.0652(7) 0.062(3) Uani 0.367(3) 1 d PDU A 2
C29B C 0.3100(7) 1.2235(13) 1.0849(8) 0.069(3) Uani 0.367(3) 1 d PDU A 2
C30B C 0.3367(7) 1.1315(13) 1.1296(8) 0.079(3) Uani 0.367(3) 1 d PDU A 2
C31B C 0.2662(6) 1.2919(10) 0.9538(6) 0.060(3) Uani 0.367(3) 1 d PDU A 2
C32B C 0.3320(8) 1.2527(16) 0.9875(8) 0.063(3) Uani 0.367(3) 1 d PDU A 2
C33B C 0.3491(7) 1.2243(12) 1.0443(7) 0.072(3) Uani 0.367(3) 1 d PDU A 2
C34B C 0.3554(6) 1.1920(9) 0.9394(6) 0.065(3) Uani 0.367(3) 1 d PDU A 2
C35B C 0.3179(7) 1.1640(17) 0.8790(8) 0.065(3) Uani 0.367(3) 1 d PDU A 2
C36B C 0.2516(7) 1.2023(11) 0.8544(7) 0.064(3) Uani 0.367(3) 1 d PDU A 2
C37B C 0.2252(7) 1.2775(18) 0.8921(8) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C38B C 0.4116(9) 0.8801(12) 1.0801(7) 0.081(3) Uani 0.367(3) 1 d PDU A 2
C39B C 0.3922(10) 0.9429(12) 1.1230(10) 0.074(3) Uani 0.367(3) 1 d PDU A 2
C40B C 0.3831(9) 1.0698(13) 1.1120(9) 0.074(3) Uani 0.367(3) 1 d PDU A 2
C41B C 0.3948(8) 1.1327(11) 1.0638(7) 0.078(3) Uani 0.367(3) 1 d PDU A 2
C42B C 0.4018(7) 1.1029(11) 0.9615(7) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C43B C 0.4250(7) 1.0646(11) 1.0237(6) 0.072(3) Uani 0.367(3) 1 d PDU A 2
C44B C 0.4364(9) 0.9348(12) 1.0365(7) 0.078(3) Uani 0.367(3) 1 d PDU A 2
C45B C 0.3441(7) 0.8811(11) 1.1494(9) 0.069(3) Uani 0.367(3) 1 d PDU A 2
C46B C 0.2980(7) 0.9450(13) 1.1606(10) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C47B C 0.2378(5) 0.9175(9) 1.1627(7) 0.056(3) Uani 0.367(3) 1 d PDU A 2
C48B C 0.3249(6) 0.7608(11) 1.1279(7) 0.061(3) Uani 0.367(3) 1 d PDU A 2
C49B C 0.2644(7) 0.7216(11) 1.1291(8) 0.051(3) Uani 0.367(3) 1 d PDU A 2
C50B C 0.2248(6) 0.7924(10) 1.1513(7) 0.042(3) Uani 0.367(3) 1 d PDU A 2
C51B C 0.3966(7) 0.7641(11) 1.0615(6) 0.075(3) Uani 0.367(3) 1 d PDU A 2
C52B C 0.3604(9) 0.7090(15) 1.0868(9) 0.068(3) Uani 0.367(3) 1 d PDU A 2
C53B C 0.3199(7) 0.6204(14) 1.0381(7) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C54B C 0.2582(7) 0.5931(12) 1.0421(7) 0.063(3) Uani 0.367(3) 1 d PDU A 2
C55B C 0.2293(6) 0.6313(9) 1.0799(7) 0.050(2) Uani 0.367(3) 1 d PDU A 2
C56B C 0.4084(7) 0.7473(10) 1.0039(6) 0.072(3) Uani 0.367(3) 1 d PDU A 2
C57B C 0.3486(6) 0.7091(11) 0.8968(7) 0.074(3) Uani 0.367(3) 1 d PDU A 2
C58B C 0.3669(7) 0.6753(12) 0.9563(7) 0.064(3) Uani 0.367(3) 1 d PDU A 2
C59B C 0.3211(7) 0.6006(13) 0.9788(7) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C60B C 0.3923(7) 1.0190(12) 0.9123(6) 0.062(3) Uani 0.367(3) 1 d PDU A 2
C61B C 0.4054(6) 0.8942(13) 0.9221(7) 0.066(2) Uani 0.367(3) 1 d PDU A 2
C62B C 0.4290(8) 0.8582(13) 0.9866(6) 0.071(3) Uani 0.367(3) 1 d PDU A 2
C63B C 0.3655(7) 0.8209(12) 0.8768(7) 0.069(3) Uani 0.367(3) 1 d PDU A 2
C64B C 0.2617(7) 0.7672(11) 0.8127(7) 0.064(3) Uani 0.367(3) 1 d PDU A 2
C65B C 0.2864(6) 0.6750(11) 0.8607(6) 0.068(3) Uani 0.367(3) 1 d PDU A 2
C66B C 0.2363(6) 0.6250(13) 0.8801(6) 0.070(3) Uani 0.367(3) 1 d PDU A 2
C67B C 0.2565(7) 0.5828(13) 0.9427(6) 0.069(3) Uani 0.367(3) 1 d PDU A 2
C68B C 0.2088(6) 0.7992(10) 0.7826(7) 0.061(3) Uani 0.367(3) 1 d PDU A 2
C69B C 0.3390(6) 1.0570(9) 0.8612(5) 0.063(2) Uani 0.367(3) 1 d PDU A 2
C70B C 0.2949(9) 0.9865(15) 0.8219(11) 0.063(3) Uani 0.367(3) 1 d PDU A 2
C71B C 0.3117(7) 0.8546(11) 0.8243(7) 0.075(3) Uani 0.367(3) 1 d PDU A 2
C72B C 0.1007(8) 1.0311(12) 0.7882(9) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C73B C 0.1393(6) 1.1326(12) 0.8063(8) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C74B C 0.2062(6) 1.1320(15) 0.8107(9) 0.066(3) Uani 0.367(3) 1 d PDU A 2
C75B C 0.1227(7) 0.9326(12) 0.7719(9) 0.077(3) Uani 0.367(3) 1 d PDU A 2
C76B C 0.1885(7) 0.9238(12) 0.7728(11) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C77B C 0.2329(7) 1.0229(13) 0.7939(8) 0.070(3) Uani 0.367(3) 1 d PDU A 2
C78B C 0.0661(9) 0.8099(13) 0.8213(8) 0.075(3) Uani 0.367(3) 1 d PDU A 2
C79B C 0.0357(9) 0.9111(12) 0.8398(7) 0.065(3) Uani 0.367(3) 1 d PDU A 2
C80B C 0.0603(8) 1.0120(13) 0.8225(8) 0.075(3) Uani 0.367(3) 1 d PDU A 2
C81B C 0.1034(7) 0.8217(12) 0.7897(9) 0.071(3) Uani 0.367(3) 1 d PDU A 2
C82B C 0.1724(6) 0.6601(12) 0.8529(7) 0.063(3) Uani 0.367(3) 1 d PDU A 2
C83B C 0.1354(8) 0.6551(16) 0.8946(7) 0.073(3) Uani 0.367(3) 1 d PDU A 2
C84B C 0.0820(10) 0.7303(15) 0.8692(8) 0.067(3) Uani 0.367(3) 1 d PDU A 2
C85B C 0.1584(7) 0.7421(12) 0.8025(8) 0.073(3) Uani 0.367(3) 1 d PDU A 2
Yb3 Yb 0.2269(3) 0.9301(4) 0.8850(2) 0.0853(14) Uani 0.09 1 d PU B 3
C02C C 0.1172(14) 0.970(2) 1.0945(15) 0.055(3) Uani 0.067(2) 1 d PDU B 3
C03C C 0.1417(13) 0.8564(19) 1.1133(18) 0.053(3) Uani 0.067(2) 1 d PDU B 3
C04C C 0.0745(16) 0.988(2) 1.0410(13) 0.061(3) Uani 0.067(2) 1 d PDU B 3
C05C C 0.1076(13) 0.7463(18) 1.0866(14) 0.059(3) Uani 0.067(2) 1 d PDU B 3
C06C C 0.3226(14) 0.804(3) 1.150(2) 0.061(3) Uani 0.067(2) 1 d PDU B 3
C07C C 0.2092(13) 0.863(2) 1.145(2) 0.053(3) Uani 0.067(2) 1 d PDU B 3
C08C C 0.2553(14) 0.768(3) 1.144(2) 0.055(3) Uani 0.067(2) 1 d PDU B 3
C09C C 0.2419(14) 0.668(3) 1.1060(19) 0.057(3) Uani 0.067(2) 1 d PDU B 3
C10C C 0.2806(14) 0.622(4) 1.0690(16) 0.061(3) Uani 0.067(2) 1 d PDU B 3
C11C C 0.1740(14) 0.628(3) 1.0799(15) 0.061(3) Uani 0.067(2) 1 d PDU B 3
C12C C 0.2542(13) 0.582(4) 1.0119(14) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C13C C 0.120(2) 1.161(4) 1.0184(15) 0.062(3) Uani 0.067(2) 1 d PDU B 3
C14C C 0.1681(14) 1.158(3) 1.0771(15) 0.062(3) Uani 0.067(2) 1 d PDU B 3
C15C C 0.0714(17) 1.081(2) 0.9973(14) 0.060(3) Uani 0.067(2) 1 d PDU B 3
C16C C 0.1685(14) 1.055(2) 1.1142(17) 0.055(3) Uani 0.067(2) 1 d PDU B 3
C17C C 0.2824(14) 1.149(3) 1.1279(18) 0.064(3) Uani 0.067(2) 1 d PDU B 3
C18C C 0.2310(13) 1.209(4) 1.0838(18) 0.063(3) Uani 0.067(2) 1 d PDU B 3
C19C C 0.2388(13) 1.283(3) 1.0332(14) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C20C C 0.3536(15) 1.148(3) 1.1195(17) 0.070(3) Uani 0.067(2) 1 d PDU B 3
C21C C 0.3562(16) 1.218(3) 1.0693(15) 0.069(3) Uani 0.067(2) 1 d PDU B 3
C22C C 0.2998(14) 1.279(4) 1.0248(14) 0.067(2) Uani 0.067(2) 1 d PDU B 3
C23C C 0.2238(13) 0.986(2) 1.150(2) 0.057(3) Uani 0.067(2) 1 d PDU B 3
C24C C 0.3319(16) 0.925(3) 1.161(2) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C25C C 0.2835(14) 1.027(3) 1.158(2) 0.062(3) Uani 0.067(2) 1 d PDU B 3
C26C C 0.0407(17) 1.037(2) 0.9368(13) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C27C C 0.1930(13) 1.290(3) 0.9730(14) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C28C C 0.1204(15) 1.231(3) 0.9542(14) 0.063(3) Uani 0.067(2) 1 d PDU B 3
C29C C 0.0959(16) 1.197(3) 0.9034(15) 0.066(2) Uani 0.067(2) 1 d PDU B 3
C30C C 0.0563(18) 1.094(3) 0.8893(15) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C31C C 0.2248(13) 1.285(4) 0.9271(14) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C32C C 0.1862(14) 1.234(3) 0.8671(16) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C33C C 0.1297(15) 1.197(3) 0.8585(17) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C34C C 0.2334(12) 1.177(2) 0.8405(15) 0.064(3) Uani 0.067(2) 1 d PDU B 3
C35C C 0.2993(12) 1.163(2) 0.8697(15) 0.063(3) Uani 0.067(2) 1 d PDU B 3
C36C C 0.3307(15) 1.213(3) 0.9303(15) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C37C C 0.2916(14) 1.283(3) 0.9587(14) 0.064(3) Uani 0.067(2) 1 d PDU B 3
C38C C 0.1063(12) 0.842(2) 0.8157(16) 0.069(3) Uani 0.067(2) 1 d PDU B 3
C39C C 0.0643(17) 0.900(2) 0.8397(16) 0.070(2) Uani 0.067(2) 1 d PDU B 3
C40C C 0.0687(19) 1.029(2) 0.8418(18) 0.069(2) Uani 0.067(2) 1 d PDU B 3
C41C C 0.1101(12) 1.096(2) 0.8196(15) 0.068(2) Uani 0.067(2) 1 d PDU B 3
C42C C 0.2107(13) 1.080(2) 0.8000(15) 0.067(3) Uani 0.067(2) 1 d PDU B 3
C43C C 0.1496(12) 1.031(2) 0.7876(14) 0.068(2) Uani 0.067(2) 1 d PDU B 3
C44C C 0.1419(12) 0.898(2) 0.7819(14) 0.071(2) Uani 0.067(2) 1 d PDU B 3
C45C C 0.0484(18) 0.841(2) 0.8939(15) 0.066(2) Uani 0.067(2) 1 d PDU B 3
C46C C 0.045(3) 0.910(2) 0.9404(14) 0.064(3) Uani 0.067(2) 1 d PDU B 3
C47C C 0.060(2) 0.885(2) 1.0032(13) 0.062(3) Uani 0.067(2) 1 d PDU B 3
C48C C 0.0772(18) 0.724(3) 0.9153(15) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C49C C 0.0920(19) 0.689(3) 0.9788(14) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C50C C 0.0737(17) 0.763(2) 1.0194(14) 0.062(3) Uani 0.067(2) 1 d PDU B 3
C51C C 0.1336(13) 0.731(2) 0.8340(15) 0.068(2) Uani 0.067(2) 1 d PDU B 3
C52C C 0.1176(17) 0.677(3) 0.8767(16) 0.067(3) Uani 0.067(2) 1 d PDU B 3
C53C C 0.1791(15) 0.614(5) 0.9173(15) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C54C C 0.1880(14) 0.593(5) 0.9804(14) 0.062(3) Uani 0.067(2) 1 d PDU B 3
C55C C 0.1508(15) 0.615(3) 1.0127(14) 0.063(3) Uani 0.067(2) 1 d PDU B 3
C56C C 0.1891(13) 0.721(2) 0.8154(15) 0.069(3) Uani 0.067(2) 1 d PDU B 3
C57C C 0.3022(13) 0.708(2) 0.8611(15) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C58C C 0.2449(14) 0.659(3) 0.8515(16) 0.070(3) Uani 0.067(2) 1 d PDU B 3
C59C C 0.2356(14) 0.592(3) 0.9060(14) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C60C C 0.2640(13) 1.006(2) 0.8048(15) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C61C C 0.2595(14) 0.879(2) 0.7976(14) 0.069(3) Uani 0.067(2) 1 d PDU B 3
C62C C 0.1969(13) 0.831(2) 0.7885(15) 0.070(3) Uani 0.067(2) 1 d PDU B 3
C63C C 0.3134(13) 0.817(2) 0.8353(15) 0.071(3) Uani 0.067(2) 1 d PDU B 3
C64C C 0.3949(16) 0.785(3) 0.9299(15) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C65C C 0.3501(16) 0.686(3) 0.9187(15) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C66C C 0.3442(15) 0.635(4) 0.9739(14) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C67C C 0.2829(13) 0.584(3) 0.9653(14) 0.067(3) Uani 0.067(2) 1 d PDU B 3
C68C C 0.4297(17) 0.827(3) 0.9783(14) 0.073(3) Uani 0.067(2) 1 d PDU B 3
C69C C 0.3187(12) 1.056(2) 0.8491(15) 0.065(3) Uani 0.067(2) 1 d PDU B 3
C70C C 0.3686(13) 0.999(3) 0.8891(16) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C71C C 0.3701(15) 0.865(2) 0.8792(16) 0.070(3) Uani 0.067(2) 1 d PDU B 3
C72C C 0.421(2) 1.065(3) 1.0760(16) 0.073(3) Uani 0.067(2) 1 d PDU B 3
C73C C 0.3927(19) 1.161(3) 1.0377(15) 0.070(3) Uani 0.067(2) 1 d PDU B 3
C74C C 0.3840(18) 1.155(3) 0.9719(14) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C75C C 0.443(2) 0.972(3) 1.0563(15) 0.075(3) Uani 0.067(2) 1 d PDU B 3
C76C C 0.434(2) 0.954(3) 0.9910(14) 0.072(3) Uani 0.067(2) 1 d PDU B 3
C77C C 0.401(2) 1.044(3) 0.9463(15) 0.067(3) Uani 0.067(2) 1 d PDU B 3
C78C C 0.4085(17) 0.855(3) 1.1225(18) 0.072(3) Uani 0.067(2) 1 d PDU B 3
C79C C 0.3924(14) 0.951(2) 1.1561(16) 0.072(2) Uani 0.067(2) 1 d PDU B 3
C80C C 0.3987(17) 1.055(3) 1.1262(17) 0.073(3) Uani 0.067(2) 1 d PDU B 3
C81C C 0.4383(17) 0.859(3) 1.0841(15) 0.075(3) Uani 0.067(2) 1 d PDU B 3
C82C C 0.3767(17) 0.682(3) 1.0340(15) 0.068(3) Uani 0.067(2) 1 d PDU B 3
C83C C 0.3426(16) 0.670(3) 1.0774(17) 0.064(3) Uani 0.067(2) 1 d PDU B 3
C84C C 0.365(2) 0.767(3) 1.119(2) 0.066(3) Uani 0.067(2) 1 d PDU B 3
C85C C 0.421(2) 0.773(3) 1.0335(15) 0.073(3) Uani 0.067(2) 1 d PDU B 3
Yb4 Yb 0.19569(9) 1.04068(16) 0.90361(10) 0.0920(7) Uani 0.22 1 d PU C 4
C02D C 0.2053(14) 0.572(3) 0.9946(12) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C03D C 0.1946(13) 0.615(4) 1.0484(14) 0.059(3) Uani 0.065(2) 1 d PDU C 4
C04D C 0.1640(15) 0.588(3) 0.9405(12) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C05D C 0.1298(14) 0.634(2) 1.0517(10) 0.062(3) Uani 0.065(2) 1 d PDU C 4
C06D C 0.3151(15) 0.825(3) 1.1586(19) 0.060(3) Uani 0.065(2) 1 d PDU C 4
C07D C 0.2532(14) 0.652(4) 1.0927(17) 0.056(3) Uani 0.065(2) 1 d PDU C 4
C08D C 0.2566(14) 0.747(3) 1.1395(18) 0.055(3) Uani 0.065(2) 1 d PDU C 4
C09D C 0.2045(14) 0.816(2) 1.1412(19) 0.052(3) Uani 0.065(2) 1 d PDU C 4
C10D C 0.2050(14) 0.946(2) 1.144(2) 0.054(3) Uani 0.065(2) 1 d PDU C 4
C11D C 0.1378(15) 0.775(2) 1.1089(13) 0.057(3) Uani 0.065(2) 1 d PDU C 4
C12D C 0.1564(15) 1.012(2) 1.1113(18) 0.055(3) Uani 0.065(2) 1 d PDU C 4
C13D C 0.2397(15) 0.634(4) 0.8929(16) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C14D C 0.2906(15) 0.616(4) 0.9490(13) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C15D C 0.1763(14) 0.624(3) 0.8846(14) 0.068(3) Uani 0.065(2) 1 d PDU C 4
C16D C 0.2720(14) 0.586(3) 1.0018(13) 0.065(2) Uani 0.065(2) 1 d PDU C 4
C17D C 0.3824(17) 0.705(3) 1.0262(15) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C18D C 0.3502(18) 0.683(4) 0.9621(14) 0.068(3) Uani 0.065(2) 1 d PDU C 4
C19D C 0.3623(16) 0.754(3) 0.9128(15) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C20D C 0.428(2) 0.822(3) 1.0489(15) 0.072(3) Uani 0.065(2) 1 d PDU C 4
C21D C 0.4350(19) 0.887(3) 0.9989(14) 0.073(3) Uani 0.065(2) 1 d PDU C 4
C22D C 0.3999(17) 0.858(3) 0.9321(14) 0.070(3) Uani 0.065(2) 1 d PDU C 4
C23D C 0.3008(14) 0.630(4) 1.0650(15) 0.062(3) Uani 0.065(2) 1 d PDU C 4
C24D C 0.359(2) 0.789(3) 1.130(2) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C25D C 0.3561(17) 0.691(3) 1.0809(17) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C26D C 0.1228(16) 0.691(3) 0.8491(14) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C27D C 0.3135(15) 0.782(3) 0.8567(16) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C28D C 0.2409(15) 0.722(3) 0.8341(16) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C29D C 0.1978(14) 0.780(3) 0.8042(18) 0.070(3) Uani 0.065(2) 1 d PDU C 4
C30D C 0.1344(15) 0.773(3) 0.8080(17) 0.071(2) Uani 0.065(2) 1 d PDU C 4
C31D C 0.3200(14) 0.904(3) 0.8406(17) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C32D C 0.2582(13) 0.960(3) 0.8066(15) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C33D C 0.2065(14) 0.902(2) 0.7899(15) 0.070(3) Uani 0.065(2) 1 d PDU C 4
C34D C 0.2641(13) 1.090(2) 0.8228(15) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C35D C 0.3140(12) 1.143(2) 0.8700(15) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C36D C 0.3687(18) 1.074(3) 0.9052(16) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C37D C 0.3743(16) 0.952(2) 0.8870(16) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C38D C 0.0704(14) 1.039(2) 0.8581(15) 0.066(3) Uani 0.065(2) 1 d PDU C 4
C39D C 0.0674(14) 0.923(2) 0.8386(14) 0.070(2) Uani 0.065(2) 1 d PDU C 4
C40D C 0.1076(14) 0.887(2) 0.8022(15) 0.071(2) Uani 0.065(2) 1 d PDU C 4
C41D C 0.1501(13) 0.965(2) 0.7869(13) 0.071(3) Uani 0.065(2) 1 d PDU C 4
C42D C 0.2064(14) 1.149(2) 0.8179(14) 0.066(3) Uani 0.065(2) 1 d PDU C 4
C43D C 0.1465(13) 1.094(2) 0.8016(13) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C44D C 0.0999(13) 1.131(2) 0.8340(14) 0.067(2) Uani 0.065(2) 1 d PDU C 4
C45D C 0.0554(18) 0.829(2) 0.8831(14) 0.067(2) Uani 0.065(2) 1 d PDU C 4
C46D C 0.086(2) 0.725(3) 0.8878(15) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C47D C 0.1112(19) 0.658(4) 0.9412(13) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C48D C 0.048(2) 0.870(2) 0.9416(13) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C49D C 0.068(2) 0.803(3) 0.9977(13) 0.062(3) Uani 0.065(2) 1 d PDU C 4
C50D C 0.0896(17) 0.688(3) 0.9925(11) 0.063(3) Uani 0.065(2) 1 d PDU C 4
C51D C 0.0615(14) 1.081(2) 0.9124(15) 0.063(3) Uani 0.065(2) 1 d PDU C 4
C52D C 0.049(2) 1.005(3) 0.9486(14) 0.062(3) Uani 0.065(2) 1 d PDU C 4
C53D C 0.082(2) 1.048(3) 1.0161(14) 0.056(3) Uani 0.065(2) 1 d PDU C 4
C54D C 0.1006(18) 0.967(2) 1.0663(15) 0.057(3) Uani 0.065(2) 1 d PDU C 4
C55D C 0.0961(19) 0.853(2) 1.0629(14) 0.059(3) Uani 0.065(2) 1 d PDU C 4
C56D C 0.0899(13) 1.196(2) 0.9255(14) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C57D C 0.1769(14) 1.290(3) 1.0009(14) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C58D C 0.1207(16) 1.235(3) 0.9873(14) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C59D C 0.1119(16) 1.154(3) 1.0372(14) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C60D C 0.2212(13) 1.242(2) 0.8625(15) 0.066(3) Uani 0.065(2) 1 d PDU C 4
C61D C 0.1788(14) 1.282(2) 0.8953(15) 0.066(3) Uani 0.065(2) 1 d PDU C 4
C62D C 0.1190(14) 1.219(2) 0.8794(15) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C63D C 0.2083(14) 1.317(3) 0.9570(14) 0.066(2) Uani 0.065(2) 1 d PDU C 4
C64D C 0.2841(13) 1.291(3) 1.0556(14) 0.068(3) Uani 0.065(2) 1 d PDU C 4
C65D C 0.2211(14) 1.274(3) 1.0607(15) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C66D C 0.2202(13) 1.192(3) 1.1082(17) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C67D C 0.1608(14) 1.129(3) 1.0937(16) 0.060(3) Uani 0.065(2) 1 d PDU C 4
C68D C 0.3364(15) 1.253(3) 1.0859(15) 0.070(3) Uani 0.065(2) 1 d PDU C 4
C69D C 0.2880(12) 1.236(2) 0.8960(14) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C70D C 0.3160(17) 1.256(4) 0.9572(15) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C71D C 0.2752(14) 1.315(3) 0.9915(14) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C72D C 0.436(2) 1.014(3) 1.0731(15) 0.074(3) Uani 0.065(2) 1 d PDU C 4
C73D C 0.433(2) 1.008(3) 1.0105(14) 0.071(3) Uani 0.065(2) 1 d PDU C 4
C74D C 0.4017(19) 1.102(3) 0.9680(14) 0.068(3) Uani 0.065(2) 1 d PDU C 4
C75D C 0.4124(19) 1.102(3) 1.0954(16) 0.073(3) Uani 0.065(2) 1 d PDU C 4
C76D C 0.3794(19) 1.198(3) 1.0569(15) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C77D C 0.3713(18) 1.200(3) 0.9910(14) 0.067(3) Uani 0.065(2) 1 d PDU C 4
C78D C 0.3797(15) 0.980(2) 1.1608(19) 0.071(3) Uani 0.065(2) 1 d PDU C 4
C79D C 0.4076(15) 0.876(3) 1.1441(16) 0.072(2) Uani 0.065(2) 1 d PDU C 4
C80D C 0.4348(19) 0.903(3) 1.0986(15) 0.075(3) Uani 0.065(2) 1 d PDU C 4
C81D C 0.3861(16) 1.084(3) 1.1443(16) 0.073(3) Uani 0.065(2) 1 d PDU C 4
C82D C 0.2758(13) 1.128(3) 1.143(2) 0.064(3) Uani 0.065(2) 1 d PDU C 4
C83D C 0.2639(13) 1.008(2) 1.156(3) 0.059(3) Uani 0.065(2) 1 d PDU C 4
C84D C 0.3229(14) 0.947(2) 1.169(2) 0.065(3) Uani 0.065(2) 1 d PDU C 4
C85D C 0.3334(15) 1.168(3) 1.1339(18) 0.069(3) Uani 0.065(2) 1 d PDU C 4
C1O C 0.3925(3) 0.5108(6) 0.3280(4) 0.086(2) Uani 1 1 d D . .
C2O C 0.4254(3) 0.5692(5) 0.3886(4) 0.125(4) Uani 1 1 d D . .
H2O H 0.4075 0.6354 0.4025 0.150 Uiso 1 1 calc R . .
C3O C 0.4870(3) 0.5184(7) 0.4254(4) 0.136(4) Uani 1 1 d D . .
H3O H 0.5081 0.5490 0.4658 0.164 Uiso 1 1 calc R . .
C4O C 0.5174(4) 0.4220(5) 0.4022(4) 0.090(2) Uani 1 1 d D . .
H4O H 0.5586 0.3932 0.4256 0.108 Uiso 1 1 calc R . .
C5O C 0.4811(3) 0.3719(7) 0.3410(4) 0.137(4) Uani 1 1 d D . .
H5O H 0.4982 0.3075 0.3249 0.164 Uiso 1 1 calc R . .
C6O C 0.4181(4) 0.4217(6) 0.3047(4) 0.110(3) Uani 1 1 d D . .
Cl1 Cl 0.37944(17) 0.3609(3) 0.23458(16) 0.1578(12) Uani 1 1 d . . .
Cl2 Cl 0.32023(9) 0.57279(18) 0.28857(15) 0.1232(9) Uani 1 1 d . . .
C9O C 0.4790(2) 0.9219(5) 0.2665(3) 0.0626(15) Uani 1 1 d . . .
C8O C 0.4558(4) 0.8182(7) 0.2864(3) 0.097(3) Uani 1 1 d . . .
H8O H 0.4274 0.8182 0.3099 0.117 Uiso 1 1 calc R . .
C7O C 0.4799(4) 0.7143(6) 0.2673(4) 0.099(3) Uani 1 1 d . . .
H7O H 0.4673 0.6403 0.2792 0.119 Uiso 1 1 calc R . .
Cl3 Cl 0.45280(8) 1.05469(16) 0.28777(10) 0.0906(6) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Yb Yb -7.2108 4.4329 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 '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
C62A Yb1 C44A 33.6(2) .
C62A Yb1 C43A 61.2(4) .
C44A Yb1 C43A 35.8(3) .
C62A Yb1 C42A 70.0(3) .
C44A Yb1 C42A 60.7(3) .
C43A Yb1 C42A 32.6(3) .
C62A Yb1 C60A 58.1(3) .
C44A Yb1 C60A 69.4(3) .
C43A Yb1 C60A 58.2(4) .
C42A Yb1 C60A 32.5(2) .
C62A Yb1 C61A 32.9(4) .
C44A Yb1 C61A 59.8(4) .
C43A Yb1 C61A 70.5(4) .
C42A Yb1 C61A 59.2(4) .
C60A Yb1 C61A 32.6(4) .
C62A Yb1 C38A 53.2(3) .
C44A Yb1 C38A 32.0(2) .
C43A Yb1 C38A 58.4(3) .
C42A Yb1 C38A 89.4(3) .
C60A Yb1 C38A 101.3(3) .
C61A Yb1 C38A 85.6(4) .
C62A Yb1 C56A 29.21(19) .
C44A Yb1 C56A 49.7(3) .
C43A Yb1 C56A 84.5(3) .
C42A Yb1 C56A 99.0(3) .
C60A Yb1 C56A 84.5(3) .
C61A Yb1 C56A 53.6(4) .
C38A Yb1 C56A 48.6(2) .
C62A Yb1 C41A 87.7(3) .
C44A Yb1 C41A 55.9(3) .
C43A Yb1 C41A 30.2(3) .
C42A Yb1 C41A 51.6(3) .
C60A Yb1 C41A 83.4(3) .
C61A Yb1 C41A 100.6(4) .
C38A Yb1 C41A 61.4(3) .
C56A Yb1 C41A 103.9(3) .
C62A Yb1 C51A 49.1(3) .
C44A Yb1 C51A 48.9(3) .
C43A Yb1 C51A 82.9(3) .
C42A Yb1 C51A 109.3(3) .
C60A Yb1 C51A 107.0(3) .
C61A Yb1 C51A 79.6(4) .
C38A Yb1 C51A 28.50(17) .
C56A Yb1 C51A 28.07(14) .
C41A Yb1 C51A 89.9(3) .
C62A Yb1 C34A 97.9(3) .
C44A Yb1 C34A 87.0(3) .
C43A Yb1 C34A 53.1(3) .
C42A Yb1 C34A 28.41(17) .
C60A Yb1 C34A 48.3(2) .
C61A Yb1 C34A 80.5(4) .
C38A Yb1 C34A 111.0(3) .
C56A Yb1 C34A 127.1(3) .
C41A Yb1 C34A 55.8(3) .
C51A Yb1 C34A 135.7(3) .
C62A Yb1 C69A 83.2(3) .
C44A Yb1 C69A 97.6(3) .
C43A Yb1 C69A 80.2(3) .
C42A Yb1 C69A 48.3(2) .
C60A Yb1 C69A 28.31(19) .
C61A Yb1 C69A 51.8(4) .
C38A Yb1 C69A 129.6(3) .
C56A Yb1 C69A 104.8(3) .
C41A Yb1 C69A 97.4(2) .
C51A Yb1 C69A 131.4(3) .
C34A Yb1 C69A 45.1(2) .
C6N C1N C4N 110.5(10) .
C6N C1N C10N 110.6(11) .
C4N C1N C10N 106.8(10) .
C6N C1N H1N 109.6 .
C4N C1N H1N 109.6 .
C10N C1N H1N 109.6 .
C3N C2N C10N 112.4(11) .
C3N C2N C5N 109.2(9) .
C10N C2N C5N 108.5(8) .
C3N C2N H2N 108.9 .
C10N C2N H2N 108.9 .
C5N C2N H2N 108.9 .
C2N C3N C8N 111.8(9) .
C2N C3N H3N1 109.3 .
C8N C3N H3N1 109.3 .
C2N C3N H3N2 109.3 .
C8N C3N H3N2 109.3 .
H3N1 C3N H3N2 107.9 .
C8N C4N C1N 109.0(9) .
C8N C4N H4N1 109.9 .
C1N C4N H4N1 109.9 .
C8N C4N H4N2 109.9 .
C1N C4N H4N2 109.9 .
H4N1 C4N H4N2 108.3 .
C7N C5N C2N 108.8(9) .
C7N C5N H5N1 109.9 .
C2N C5N H5N1 109.9 .
C7N C5N H5N2 109.9 .
C2N C5N H5N2 109.9 .
H5N1 C5N H5N2 108.3 .
C1N C6N C7N 110.5(9) .
C1N C6N H6N1 109.5 .
C7N C6N H6N1 109.5 .
C1N C6N H6N2 109.5 .
C7N C6N H6N2 109.5 .
H6N1 C6N H6N2 108.1 .
C9N C7N C5N 114.7(10) .
C9N C7N C6N 104.9(12) .
C5N C7N C6N 110.2(11) .
C9N C7N H7N 109.0 .
C5N C7N H7N 109.0 .
C6N C7N H7N 109.0 .
C3N C8N C4N 106.8(10) .
C3N C8N C9N 113.2(9) .
C4N C8N C9N 105.2(9) .
C3N C8N H8N 110.5 .
C4N C8N H8N 110.5 .
C9N C8N H8N 110.5 .
C7N C9N C8N 109.2(8) .
C7N C9N H9N1 109.8 .
C8N C9N H9N1 109.8 .
C7N C9N H9N2 109.8 .
C8N C9N H9N2 109.8 .
H9N1 C9N H9N2 108.3 .
C11A C10N C05A 86.6(7) .
C11A C10N C2N 120.4(10) .
C05A C10N C2N 118.4(9) .
C11A C10N C1N 112.9(10) .
C05A C10N C1N 110.6(8) .
C2N C10N C1N 106.9(7) .
C04A C02A C03A 124.9(10) .
C04A C02A C16A 115.2(9) .
C03A C02A C16A 108.1(3) .
C02A C03A C07A 108.1(3) .
C02A C03A C05A 119.9(8) .
C07A C03A C05A 128.7(8) .
C02A C04A C47A 113.7(9) .
C02A C04A C15A 127.6(10) .
C47A C04A C15A 107.2(3) .
C50A C05A C03A 108.4(10) .
C50A C05A C10N 126.5(9) .
C03A C05A C10N 117.3(8) .
C50A C05A C11A 97.7(8) .
C03A C05A C11A 103.9(8) .
C10N C05A C11A 46.6(6) .
C84A C06A C24A 107.6(3) .
C84A C06A C08A 131.8(12) .
C24A C06A C08A 112.2(12) .
C23A C07A C03A 108.0(3) .
C23A C07A C08A 120.6(9) .
C03A C07A C08A 122.9(9) .
C09A C08A C07A 123.9(11) .
C09A C08A C06A 108.2(10) .
C07A C08A C06A 120.6(11) .
C08A C09A C10A 123.6(12) .
C08A C09A C11A 120.9(12) .
C10A C09A C11A 109.5(12) .
C12A C10A C83A 112.9(11) .
C12A C10A C09A 125.6(12) .
C83A C10A C09A 118.8(12) .
C55A C11A C10N 119.7(13) .
C55A C11A C09A 117.7(10) .
C10N C11A C09A 121.8(12) .
C55A C11A C05A 98.2(9) .
C10N C11A C05A 46.9(6) .
C09A C11A C05A 116.2(10) .
C10A C12A C67A 124.1(12) .
C10A C12A C54A 119.2(11) .
C67A C12A C54A 107.6(4) .
C15A C13A C14A 125.1(13) .
C15A C13A C28A 104.8(12) .
C14A C13A C28A 126.3(13) .
C16A C14A C13A 113.5(12) .
C16A C14A C18A 119.2(10) .
C13A C14A C18A 120.5(11) .
C13A C15A C26A 127.0(10) .
C13A C15A C04A 114.4(10) .
C26A C15A C04A 107.5(3) .
C14A C16A C02A 123.9(10) .
C14A C16A C23A 124.1(10) .
C02A C16A C23A 107.1(3) .
C18A C17A C25A 126.4(12) .
C18A C17A C20A 118.0(11) .
C25A C17A C20A 101.4(11) .
C17A C18A C14A 113.1(10) .
C17A C18A C19A 122.8(11) .
C14A C18A C19A 120.7(10) .
C27A C19A C22A 108.0(3) .
C27A C19A C18A 122.6(11) .
C22A C19A C18A 118.3(10) .
C21A C20A C80A 107.6(4) .
C21A C20A C17A 114.6(10) .
C80A C20A C17A 132.7(10) .
C20A C21A C73A 107.2(4) .
C20A C21A C22A 122.9(12) .
C73A C21A C22A 111.7(10) .
C19A C22A C37A 107.8(3) .
C19A C22A C21A 121.7(9) .
C37A C22A C21A 122.1(10) .
C25A C23A C07A 123.1(10) .
C25A C23A C16A 122.2(10) .
C07A C23A C16A 108.1(3) .
C79A C24A C06A 107.1(4) .
C79A C24A C25A 121.2(12) .
C06A C24A C25A 126.6(12) .
C23A C25A C17A 112.9(10) .
C23A C25A C24A 115.2(10) .
C17A C25A C24A 124.9(11) .
C30A C26A C15A 118.2(10) .
C30A C26A C46A 119.0(10) .
C15A C26A C46A 107.2(3) .
C19A C27A C31A 108.0(3) .
C19A C27A C28A 124.2(10) .
C31A C27A C28A 117.3(10) .
C29A C28A C27A 117.1(12) .
C29A C28A C13A 126.6(14) .
C27A C28A C13A 105.3(11) .
C28A C29A C30A 120.7(12) .
C28A C29A C33A 123.9(11) .
C30A C29A C33A 107.4(3) .
C26A C30A C40A 122.2(9) .
C26A C30A C29A 119.5(9) .
C40A C30A C29A 108.2(3) .
C37A C31A C27A 108.2(3) .
C37A C31A C32A 128.3(10) .
C27A C31A C32A 114.8(10) .
C33A C32A C31A 122.1(11) .
C33A C32A C34A 124.7(13) .
C31A C32A C34A 107.6(11) .
C32A C33A C41A 116.8(10) .
C32A C33A C29A 124.4(10) .
C41A C33A C29A 108.1(3) .
C35A C34A C42A 108.3(3) .
C35A C34A C32A 126.6(10) .
C42A C34A C32A 116.4(9) .
C35A C34A Yb1 88.4(6) .
C42A C34A Yb1 57.5(5) .
C32A C34A Yb1 91.9(6) .
C34A C35A C69A 108.3(3) .
C34A C35A C36A 120.8(10) .
C69A C35A C36A 122.1(10) .
C74A C36A C35A 122.0(11) .
C74A C36A C37A 115.1(11) .
C35A C36A C37A 117.3(11) .
C31A C37A C22A 107.9(3) .
C31A C37A C36A 118.6(11) .
C22A C37A C36A 122.9(11) .
C39A C38A C51A 126.0(7) .
C39A C38A C44A 124.0(7) .
C51A C38A C44A 107.6(3) .
C39A C38A Yb1 98.1(11) .
C51A C38A Yb1 88.0(8) .
C44A C38A Yb1 66.0(7) .
C38A C39A C40A 117.6(8) .
C38A C39A C45A 118.5(8) .
C40A C39A C45A 115.4(8) .
C38A C39A Yb1 56.1(9) .
C40A C39A Yb1 81.8(7) .
C45A C39A Yb1 105.1(9) .
C30A C40A C41A 108.1(3) .
C30A C40A C39A 119.8(7) .
C41A C40A C39A 123.0(8) .
C40A C41A C33A 107.9(3) .
C40A C41A C43A 118.1(8) .
C33A C41A C43A 125.1(8) .
C40A C41A Yb1 90.4(6) .
C33A C41A Yb1 97.2(6) .
C43A C41A Yb1 56.4(5) .
C43A C42A C34A 123.1(8) .
C43A C42A C60A 120.0(9) .
C34A C42A C60A 107.7(3) .
C43A C42A Yb1 71.8(5) .
C34A C42A Yb1 94.1(5) .
C60A C42A Yb1 75.1(8) .
C42A C43A C41A 113.6(9) .
C42A C43A C44A 119.3(9) .
C41A C43A C44A 117.9(9) .
C42A C43A Yb1 75.6(6) .
C41A C43A Yb1 93.4(6) .
C44A C43A Yb1 71.4(6) .
C62A C44A C38A 107.7(3) .
C62A C44A C43A 117.2(10) .
C38A C44A C43A 117.3(9) .
C62A C44A Yb1 72.8(8) .
C38A C44A Yb1 82.0(8) .
C43A C44A Yb1 72.8(6) .
C46A C45A C48A 118.0(10) .
C46A C45A C39A 121.2(10) .
C48A C45A C39A 116.2(9) .
C45A C46A C47A 125.3(10) .
C45A C46A C26A 122.2(10) .
C47A C46A C26A 107.1(3) .
C46A C47A C04A 108.6(3) .
C46A C47A C50A 114.7(9) .
C04A C47A C50A 126.8(10) .
C49A C48A C45A 121.0(10) .
C49A C48A C52A 117.2(11) .
C45A C48A C52A 115.4(9) .
C50A C49A C48A 115.1(10) .
C50A C49A C55A 114.3(13) .
C48A C49A C55A 124.1(12) .
C49A C50A C47A 125.2(10) .
C49A C50A C05A 114.6(11) .
C47A C50A C05A 114.6(11) .
C52A C51A C38A 116.7(10) .
C52A C51A C56A 132.1(11) .
C38A C51A C56A 107.9(3) .
C52A C51A Yb1 111.2(11) .
C38A C51A Yb1 63.5(7) .
C56A C51A Yb1 73.5(6) .
C51A C52A C48A 126.7(12) .
C51A C52A C53A 108.4(13) .
C48A C52A C53A 114.7(12) .
C59A C53A C54A 107.7(4) .
C59A C53A C52A 124.5(11) .
C54A C53A C52A 119.2(11) .
C55A C54A C12A 119.5(12) .
C55A C54A C53A 127.4(11) .
C12A C54A C53A 108.1(4) .
C54A C55A C11A 121.4(13) .
C54A C55A C49A 116.0(12) .
C11A C55A C49A 113.7(11) .
C58A C56A C62A 117.9(11) .
C58A C56A C51A 120.7(10) .
C62A C56A C51A 107.6(3) .
C58A C56A Yb1 95.7(8) .
C62A C56A Yb1 57.0(7) .
C51A C56A Yb1 78.4(6) .
C58A C57A C65A 119.0(10) .
C58A C57A C63A 125.5(10) .
C65A C57A C63A 108.5(3) .
C57A C58A C56A 119.6(12) .
C57A C58A C59A 118.0(12) .
C56A C58A C59A 113.9(11) .
C53A C59A C67A 108.1(4) .
C53A C59A C58A 119.2(10) .
C67A C59A C58A 121.1(11) .
C42A C60A C69A 107.8(3) .
C42A C60A C61A 124.1(11) .
C69A C60A C61A 118.9(11) .
C42A C60A Yb1 72.3(7) .
C69A C60A Yb1 93.4(8) .
C61A C60A Yb1 75.9(8) .
C63A C61A C62A 118.0(11) .
C63A C61A C60A 114.5(12) .
C62A C61A C60A 114.3(12) .
C63A C61A Yb1 95.4(8) .
C62A C61A Yb1 67.0(7) .
C60A C61A Yb1 71.6(8) .
C44A C62A C56A 107.6(3) .
C44A C62A C61A 124.8(11) .
C56A C62A C61A 122.0(11) .
C44A C62A Yb1 73.6(7) .
C56A C62A Yb1 93.8(8) .
C61A C62A Yb1 80.1(8) .
C61A C63A C71A 127.0(11) .
C61A C63A C57A 116.8(10) .
C71A C63A C57A 107.4(3) .
C61A C63A Yb1 57.3(7) .
C71A C63A Yb1 97.2(8) .
C57A C63A Yb1 89.6(7) .
C68A C64A C71A 115.7(11) .
C68A C64A C65A 130.1(11) .
C71A C64A C65A 107.5(3) .
C66A C65A C57A 127.0(9) .
C66A C65A C64A 114.3(10) .
C57A C65A C64A 107.8(3) .
C65A C66A C82A 124.5(11) .
C65A C66A C67A 113.6(10) .
C82A C66A C67A 116.6(10) .
C12A C67A C59A 108.0(4) .
C12A C67A C66A 122.2(10) .
C59A C67A C66A 120.1(9) .
C64A C68A C76A 124.6(12) .
C64A C68A C85A 112.7(11) .
C76A C68A C85A 107.3(3) .
C70A C69A C35A 116.5(11) .
C70A C69A C60A 128.4(11) .
C35A C69A C60A 107.7(3) .
C70A C69A Yb1 97.6(8) .
C35A C69A Yb1 87.5(6) .
C60A C69A Yb1 58.3(7) .
C69A C70A C77A 123.3(14) .
C69A C70A C71A 114.6(14) .
C77A C70A C71A 118.5(13) .
C64A C71A C63A 108.7(3) .
C64A C71A C70A 122.7(11) .
C63A C71A C70A 116.0(10) .
C75A C72A C80A 117.7(11) .
C75A C72A C73A 120.9(12) .
C80A C72A C73A 107.9(3) .
C72A C73A C21A 107.1(4) .
C72A C73A C74A 120.5(11) .
C21A C73A C74A 126.7(11) .
C36A C74A C73A 121.0(13) .
C36A C74A C77A 111.5(12) .
C73A C74A C77A 120.3(12) .
C72A C75A C81A 118.6(10) .
C72A C75A C76A 122.9(11) .
C81A C75A C76A 108.2(3) .
C75A C76A C68A 107.4(3) .
C75A C76A C77A 120.8(11) .
C68A C76A C77A 123.3(11) .
C70A C77A C76A 113.2(13) .
C70A C77A C74A 124.2(13) .
C76A C77A C74A 114.5(12) .
C81A C78A C84A 120.4(11) .
C81A C78A C79A 127.1(11) .
C84A C78A C79A 107.5(3) .
C80A C79A C24A 120.2(12) .
C80A C79A C78A 108.7(12) .
C24A C79A C78A 107.3(4) .
C79A C80A C72A 126.4(11) .
C79A C80A C20A 117.8(10) .
C72A C80A C20A 107.6(3) .
C78A C81A C75A 120.3(11) .
C78A C81A C85A 117.5(11) .
C75A C81A C85A 107.8(3) .
C66A C82A C85A 110.3(11) .
C66A C82A C83A 114.7(11) .
C85A C82A C83A 125.1(11) .
C10A C83A C84A 123.4(12) .
C10A C83A C82A 128.9(11) .
C84A C83A C82A 104.5(12) .
C78A C84A C06A 108.2(3) .
C78A C84A C83A 131.3(13) .
C06A C84A C83A 111.8(12) .
C82A C85A C81A 119.4(10) .
C82A C85A C68A 127.9(11) .
C81A C85A C68A 107.3(3) .
C44B Yb2 C62B 33.1(3) .
C44B Yb2 C61B 60.4(5) .
C62B Yb2 C61B 33.6(4) .
C44B Yb2 C60B 68.7(4) .
C62B Yb2 C60B 57.9(4) .
C61B Yb2 C60B 32.7(4) .
C44B Yb2 C43B 34.6(4) .
C62B Yb2 C43B 59.2(4) .
C61B Yb2 C43B 69.6(5) .
C60B Yb2 C43B 56.6(4) .
C44B Yb2 C38B 32.3(4) .
C62B Yb2 C38B 53.6(4) .
C61B Yb2 C38B 86.8(5) .
C60B Yb2 C38B 101.0(4) .
C43B Yb2 C38B 57.6(4) .
C44B Yb2 C42B 58.9(4) .
C62B Yb2 C42B 68.1(4) .
C61B Yb2 C42B 58.6(4) .
C60B Yb2 C42B 31.8(3) .
C43B Yb2 C42B 31.2(4) .
C38B Yb2 C42B 87.6(4) .
C44B Yb2 C56B 50.5(4) .
C62B Yb2 C56B 30.7(3) .
C61B Yb2 C56B 54.9(4) .
C60B Yb2 C56B 85.6(4) .
C43B Yb2 C56B 84.1(4) .
C38B Yb2 C56B 49.4(3) .
C42B Yb2 C56B 98.6(4) .
C44B Yb2 C51B 49.6(4) .
C62B Yb2 C51B 50.5(4) .
C61B Yb2 C51B 81.6(4) .
C60B Yb2 C51B 108.2(4) .
C43B Yb2 C51B 82.3(4) .
C38B Yb2 C51B 28.6(3) .
C42B Yb2 C51B 108.3(4) .
C56B Yb2 C51B 29.1(2) .
C44B Yb2 C63B 84.5(4) .
C62B Yb2 C63B 52.6(4) .
C61B Yb2 C63B 27.4(4) .
C60B Yb2 C63B 50.0(4) .
C43B Yb2 C63B 96.9(4) .
C38B Yb2 C63B 104.0(4) .
C42B Yb2 C63B 81.1(4) .
C56B Yb2 C63B 58.7(3) .
C51B Yb2 C63B 87.6(4) .
C44B Yb2 C69B 96.3(4) .
C62B Yb2 C69B 83.1(4) .
C61B Yb2 C69B 51.8(4) .
C60B Yb2 C69B 27.8(3) .
C43B Yb2 C69B 78.0(4) .
C38B Yb2 C69B 128.6(4) .
C42B Yb2 C69B 47.4(3) .
C56B Yb2 C69B 106.3(3) .
C51B Yb2 C69B 133.2(3) .
C63B Yb2 C69B 53.8(3) .
C44B Yb2 C41B 54.5(4) .
C62B Yb2 C41B 85.6(4) .
C61B Yb2 C41B 99.0(5) .
C60B Yb2 C41B 80.7(4) .
C43B Yb2 C41B 29.5(4) .
C38B Yb2 C41B 60.6(4) .
C42B Yb2 C41B 49.4(4) .
C56B Yb2 C41B 103.6(4) .
C51B Yb2 C41B 89.1(4) .
C63B Yb2 C41B 126.0(4) .
C69B Yb2 C41B 93.8(3) .
C6M C1M C4M 106.8(7) .
C6M C1M C10M 114.5(9) .
C4M C1M C10M 108.9(7) .
C6M C1M H1M 108.8 .
C4M C1M H1M 108.8 .
C10M C1M H1M 108.8 .
C3M C2M C10M 111.3(9) .
C3M C2M C5M 108.8(8) .
C10M C2M C5M 107.2(9) .
C3M C2M H2M 109.8 .
C10M C2M H2M 109.8 .
C5M C2M H2M 109.8 .
C2M C3M C8M 112.0(8) .
C2M C3M H3M1 109.2 .
C8M C3M H3M1 109.2 .
C2M C3M H3M2 109.2 .
C8M C3M H3M2 109.2 .
H3M1 C3M H3M2 107.9 .
C8M C4M C1M 109.0(8) .
C8M C4M H4M1 109.9 .
C1M C4M H4M1 109.9 .
C8M C4M H4M2 109.9 .
C1M C4M H4M2 109.9 .
H4M1 C4M H4M2 108.3 .
C7M C5M C2M 109.6(9) .
C7M C5M H5M1 109.8 .
C2M C5M H5M1 109.8 .
C7M C5M H5M2 109.8 .
C2M C5M H5M2 109.8 .
H5M1 C5M H5M2 108.2 .
C1M C6M C7M 107.4(8) .
C1M C6M H6M1 110.2 .
C7M C6M H6M1 110.2 .
C1M C6M H6M2 110.2 .
C7M C6M H6M2 110.2 .
H6M1 C6M H6M2 108.5 .
C9M C7M C5M 111.3(11) .
C9M C7M C6M 107.8(11) .
C5M C7M C6M 114.0(11) .
C9M C7M H7M 107.8 .
C5M C7M H7M 107.8 .
C6M C7M H7M 107.8 .
C3M C8M C4M 106.2(7) .
C3M C8M C9M 113.7(10) .
C4M C8M C9M 105.6(7) .
C3M C8M H8M 110.4 .
C4M C8M H8M 110.4 .
C9M C8M H8M 110.4 .
C7M C9M C8M 107.9(8) .
C7M C9M H9M1 110.1 .
C8M C9M H9M1 110.1 .
C7M C9M H9M2 110.1 .
C8M C9M H9M2 110.1 .
H9M1 C9M H9M2 108.4 .
C05B C10M C2M 117.5(9) .
C05B C10M C11B 86.8(7) .
C2M C10M C11B 131.9(10) .
C05B C10M C1M 110.3(7) .
C2M C10M C1M 107.5(7) .
C11B C10M C1M 100.4(9) .
C04B C02B C03B 123.6(12) .
C04B C02B C16B 119.5(11) .
C03B C02B C16B 107.5(10) .
C02B C03B C07B 112.3(9) .
C02B C03B C05B 119.7(10) .
C07B C03B C05B 124.1(10) .
C02B C04B C47B 115.8(11) .
C02B C04B C15B 127.6(12) .
C47B C04B C15B 103.7(9) .
C03B C05B C50B 113.1(9) .
C03B C05B C10M 114.5(9) .
C50B C05B C10M 125.7(9) .
C24B C06B C84B 107.7(11) .
C24B C06B C08B 110.1(13) .
C84B C06B C08B 134.1(15) .
C23B C07B C03B 103.0(10) .
C23B C07B C08B 118.7(11) .
C03B C07B C08B 126.2(12) .
C09B C08B C07B 122.4(13) .
C09B C08B C06B 107.1(13) .
C07B C08B C06B 120.8(13) .
C08B C09B C10B 124.0(13) .
C08B C09B C11B 121.0(13) .
C10B C09B C11B 112.1(13) .
C12B C10B C83B 115.3(12) .
C12B C10B C09B 121.3(13) .
C83B C10B C09B 120.3(13) .
C55B C11B C09B 112.7(11) .
C55B C11B C10M 126.8(13) .
C09B C11B C10M 118.4(12) .
C10B C12B C67B 122.7(13) .
C10B C12B C54B 126.4(13) .
C67B C12B C54B 105.9(10) .
C15B C13B C14B 127.6(13) .
C15B C13B C28B 104.5(12) .
C14B C13B C28B 122.6(13) .
C13B C14B C16B 116.5(12) .
C13B C14B C18B 123.5(12) .
C16B C14B C18B 114.8(12) .
C13B C15B C26B 131.3(12) .
C13B C15B C04B 110.8(11) .
C26B C15B C04B 106.9(9) .
C02B C16B C14B 117.9(11) .
C02B C16B C23B 104.7(10) .
C14B C16B C23B 123.8(12) .
C18B C17B C25B 126.7(13) .
C18B C17B C20B 123.5(12) .
C25B C17B C20B 100.7(11) .
C17B C18B C14B 116.8(11) .
C17B C18B C19B 120.2(12) .
C14B C18B C19B 119.4(11) .
C27B C19B C22B 107.4(11) .
C27B C19B C18B 122.4(13) .
C22B C19B C18B 117.0(12) .
C21B C20B C80B 105.4(10) .
C21B C20B C17B 111.8(12) .
C80B C20B C17B 129.8(12) .
C73B C21B C20B 112.9(11) .
C73B C21B C22B 110.4(11) .
C20B C21B C22B 123.0(13) .
C19B C22B C37B 108.3(10) .
C19B C22B C21B 123.7(11) .
C37B C22B C21B 122.1(11) .
C25B C23B C07B 124.9(12) .
C25B C23B C16B 121.6(12) .
C07B C23B C16B 112.3(10) .
C79B C24B C06B 107.9(11) .
C79B C24B C25B 117.6(13) .
C06B C24B C25B 129.2(15) .
C23B C25B C17B 112.0(13) .
C23B C25B C24B 112.7(13) .
C17B C25B C24B 126.9(14) .
C30B C26B C15B 113.9(12) .
C30B C26B C46B 118.6(13) .
C15B C26B C46B 108.7(10) .
C19B C27B C31B 110.4(11) .
C19B C27B C28B 123.4(12) .
C31B C27B C28B 116.8(11) .
C29B C28B C27B 121.0(14) .
C29B C28B C13B 122.9(13) .
C27B C28B C13B 107.6(11) .
C28B C29B C30B 125.8(13) .
C28B C29B C33B 119.6(15) .
C30B C29B C33B 105.2(11) .
C40B C30B C26B 121.5(12) .
C40B C30B C29B 109.0(12) .
C26B C30B C29B 119.0(12) .
C37B C31B C27B 106.1(10) .
C37B C31B C32B 133.4(13) .
C27B C31B C32B 113.5(11) .
C33B C32B C31B 121.6(14) .
C33B C32B C34B 124.3(15) .
C31B C32B C34B 105.8(13) .
C32B C33B C41B 116.9(13) .
C32B C33B C29B 127.5(14) .
C41B C33B C29B 107.9(10) .
C35B C34B C42B 108.6(10) .
C35B C34B C32B 125.6(12) .
C42B C34B C32B 116.4(11) .
C35B C34B Yb2 86.2(11) .
C42B C34B Yb2 56.8(7) .
C32B C34B Yb2 93.7(8) .
C34B C35B C69B 109.6(11) .
C34B C35B C36B 120.9(13) .
C69B C35B C36B 122.4(13) .
C74B C36B C35B 120.0(13) .
C74B C36B C37B 114.5(13) .
C35B C36B C37B 119.6(13) .
C31B C37B C36B 113.8(13) .
C31B C37B C22B 107.6(11) .
C36B C37B C22B 121.6(13) .
C51B C38B C39B 127.1(12) .
C51B C38B C44B 107.9(9) .
C39B C38B C44B 123.2(11) .
C51B C38B Yb2 86.0(9) .
C39B C38B Yb2 101.6(13) .
C44B C38B Yb2 66.4(9) .
C38B C39B C40B 116.1(12) .
C38B C39B C45B 116.9(13) .
C40B C39B C45B 115.9(13) .
C41B C40B C30B 108.1(11) .
C41B C40B C39B 125.7(13) .
C30B C40B C39B 120.8(12) .
C40B C41B C33B 108.8(11) .
C40B C41B C43B 116.5(11) .
C33B C41B C43B 126.6(11) .
C40B C41B Yb2 87.9(10) .
C33B C41B Yb2 98.9(9) .
C43B C41B Yb2 57.9(7) .
C34B C42B C43B 124.3(12) .
C34B C42B C60B 107.0(10) .
C43B C42B C60B 119.7(11) .
C34B C42B Yb2 96.6(9) .
C43B C42B Yb2 72.7(8) .
C60B C42B Yb2 71.9(8) .
C42B C43B C44B 118.7(11) .
C42B C43B C41B 111.4(11) .
C44B C43B C41B 117.5(11) .
C42B C43B Yb2 76.1(8) .
C44B C43B Yb2 67.3(9) .
C41B C43B Yb2 92.5(9) .
C62B C44B C38B 109.1(10) .
C62B C44B C43B 118.8(12) .
C38B C44B C43B 118.8(13) .
C62B C44B Yb2 73.8(10) .
C38B C44B Yb2 81.3(11) .
C43B C44B Yb2 78.1(9) .
C46B C45B C48B 114.3(12) .
C46B C45B C39B 119.4(12) .
C48B C45B C39B 116.8(12) .
C45B C46B C47B 133.3(13) .
C45B C46B C26B 122.4(12) .
C47B C46B C26B 102.8(10) .
C46B C47B C04B 113.4(10) .
C46B C47B C50B 110.5(10) .
C04B C47B C50B 126.6(11) .
C49B C48B C45B 117.2(11) .
C49B C48B C52B 124.8(12) .
C45B C48B C52B 114.4(11) .
C50B C49B C48B 122.3(10) .
C50B C49B C55B 114.9(12) .
C48B C49B C55B 116.9(12) .
C49B C50B C47B 120.9(10) .
C49B C50B C05B 118.8(12) .
C47B C50B C05B 111.1(10) .
C52B C51B C38B 116.3(13) .
C52B C51B C56B 132.1(13) .
C38B C51B C56B 108.0(8) .
C52B C51B Yb2 110.0(12) .
C38B C51B Yb2 65.5(8) .
C56B C51B Yb2 72.4(7) .
C51B C52B C48B 127.5(14) .
C51B C52B C53B 107.1(14) .
C48B C52B C53B 113.3(12) .
C59B C53B C54B 110.5(11) .
C59B C53B C52B 128.1(13) .
C54B C53B C52B 115.9(12) .
C55B C54B C12B 112.6(13) .
C55B C54B C53B 130.8(13) .
C12B C54B C53B 105.4(10) .
C54B C55B C11B 126.3(14) .
C54B C55B C49B 117.7(12) .
C11B C55B C49B 111.1(11) .
C58B C56B C51B 120.5(12) .
C58B C56B C62B 118.4(12) .
C51B C56B C62B 107.7(9) .
C58B C56B Yb2 92.7(8) .
C51B C56B Yb2 78.5(8) .
C62B C56B Yb2 60.7(8) .
C58B C57B C65B 115.3(12) .
C58B C57B C63B 123.4(12) .
C65B C57B C63B 111.3(10) .
C57B C58B C56B 120.9(13) .
C57B C58B C59B 118.9(12) .
C56B C58B C59B 113.1(12) .
C57B C58B Yb2 82.2(8) .
C56B C58B Yb2 61.0(7) .
C59B C58B Yb2 101.9(8) .
C53B C59B C67B 104.8(11) .
C53B C59B C58B 117.7(12) .
C67B C59B C58B 122.6(12) .
C69B C60B C42B 108.0(10) .
C69B C60B C61B 119.5(12) .
C42B C60B C61B 123.9(12) .
C69B C60B Yb2 94.3(8) .
C42B C60B Yb2 76.2(8) .
C61B C60B Yb2 72.4(7) .
C63B C61B C60B 115.0(13) .
C63B C61B C62B 121.0(12) .
C60B C61B C62B 114.7(13) .
C63B C61B Yb2 95.2(9) .
C60B C61B Yb2 74.9(8) .
C62B C61B Yb2 69.6(7) .
C44B C62B C56B 106.5(9) .
C44B C62B C61B 124.0(13) .
C56B C62B C61B 118.9(13) .
C44B C62B Yb2 73.1(10) .
C56B C62B Yb2 88.6(9) .
C61B C62B Yb2 76.8(8) .
C61B C63B C57B 117.3(12) .
C61B C63B C71B 127.6(12) .
C57B C63B C71B 105.6(10) .
C61B C63B Yb2 57.4(7) .
C57B C63B Yb2 88.7(9) .
C71B C63B Yb2 97.2(10) .
C68B C64B C71B 116.3(12) .
C68B C64B C65B 133.4(12) .
C71B C64B C65B 105.9(10) .
C57B C65B C66B 129.3(12) .
C57B C65B C64B 106.9(10) .
C66B C65B C64B 111.7(11) .
C82B C66B C67B 118.5(11) .
C82B C66B C65B 121.2(11) .
C67B C66B C65B 114.7(11) .
C12B C67B C59B 111.2(11) .
C12B C67B C66B 122.3(12) .
C59B C67B C66B 117.4(12) .
C64B C68B C76B 124.4(13) .
C64B C68B C85B 112.6(12) .
C76B C68B C85B 104.0(10) .
C70B C69B C35B 117.7(12) .
C70B C69B C60B 126.0(12) .
C35B C69B C60B 106.8(10) .
C70B C69B Yb2 92.5(12) .
C35B C69B Yb2 89.4(11) .
C60B C69B Yb2 57.8(6) .
C69B C70B C77B 121.7(15) .
C69B C70B C71B 116.0(14) .
C77B C70B C71B 120.2(14) .
C63B C71B C64B 110.2(11) .
C63B C71B C70B 114.4(12) .
C64B C71B C70B 119.9(12) .
C75B C72B C80B 113.1(12) .
C75B C72B C73B 122.0(12) .
C80B C72B C73B 113.7(12) .
C21B C73B C72B 101.4(10) .
C21B C73B C74B 127.9(13) .
C72B C73B C74B 121.4(12) .
C36B C74B C73B 121.4(14) .
C36B C74B C77B 113.8(13) .
C73B C74B C77B 118.3(12) .
C72B C75B C81B 119.5(13) .
C72B C75B C76B 120.9(13) .
C81B C75B C76B 109.2(11) .
C75B C76B C77B 120.9(13) .
C75B C76B C68B 108.7(10) .
C77B C76B C68B 123.1(13) .
C70B C77B C76B 112.5(13) .
C70B C77B C74B 123.8(15) .
C76B C77B C74B 116.4(13) .
C81B C78B C84B 118.5(15) .
C81B C78B C79B 121.9(14) .
C84B C78B C79B 108.0(11) .
C80B C79B C24B 121.5(14) .
C80B C79B C78B 107.8(13) .
C24B C79B C78B 106.2(12) .
C79B C80B C72B 132.8(13) .
C79B C80B C20B 117.7(12) .
C72B C80B C20B 105.5(10) .
C78B C81B C75B 124.5(13) .
C78B C81B C85B 118.4(13) .
C75B C81B C85B 106.9(10) .
C66B C82B C85B 117.5(11) .
C66B C82B C83B 113.9(12) .
C85B C82B C83B 122.2(11) .
C84B C83B C10B 122.4(13) .
C84B C83B C82B 106.5(12) .
C10B C83B C82B 127.0(12) .
C78B C84B C06B 108.3(10) .
C78B C84B C83B 133.1(15) .
C06B C84B C83B 111.1(15) .
C82B C85B C81B 120.5(12) .
C82B C85B C68B 122.8(12) .
C81B C85B C68B 109.2(10) .
C62C Yb3 C60C 61.5(7) .
C62C Yb3 C61C 35.2(6) .
C60C Yb3 C61C 35.1(5) .
C62C Yb3 C44C 33.3(5) .
C60C Yb3 C44C 71.1(8) .
C61C Yb3 C44C 61.7(7) .
C62C Yb3 C42C 71.4(8) .
C60C Yb3 C42C 33.6(5) .
C61C Yb3 C42C 62.0(7) .
C44C Yb3 C42C 60.1(7) .
C62C Yb3 C43C 60.5(7) .
C60C Yb3 C43C 58.8(7) .
C61C Yb3 C43C 71.9(8) .
C44C Yb3 C43C 34.6(5) .
C42C Yb3 C43C 31.9(5) .
C62C Yb3 C38C 51.8(6) .
C60C Yb3 C38C 101.5(9) .
C61C Yb3 C38C 86.4(8) .
C44C Yb3 C38C 30.4(5) .
C42C Yb3 C38C 86.5(8) .
C43C Yb3 C38C 55.5(6) .
C62C Yb3 C69C 88.9(7) .
C60C Yb3 C69C 30.2(5) .
C61C Yb3 C69C 56.0(6) .
C44C Yb3 C69C 101.0(8) .
C42C Yb3 C69C 50.7(5) .
C43C Yb3 C69C 82.1(7) .
C38C Yb3 C69C 131.5(9) .
C62C Yb3 C56C 30.2(4) .
C60C Yb3 C56C 89.1(8) .
C61C Yb3 C56C 56.3(7) .
C44C Yb3 C56C 50.2(6) .
C42C Yb3 C56C 101.2(8) .
C43C Yb3 C56C 84.2(7) .
C38C Yb3 C56C 48.1(5) .
C69C Yb3 C56C 111.9(7) .
C62C Yb3 C63C 55.4(6) .
C60C Yb3 C63C 53.9(6) .
C61C Yb3 C63C 29.8(6) .
C44C Yb3 C63C 87.6(7) .
C42C Yb3 C63C 86.7(7) .
C43C Yb3 C63C 101.6(8) .
C38C Yb3 C63C 104.9(8) .
C69C Yb3 C63C 57.8(5) .
C56C Yb3 C63C 60.6(6) .
C62C Yb3 C34C 99.2(8) .
C60C Yb3 C34C 48.7(6) .
C61C Yb3 C34C 83.3(7) .
C44C Yb3 C34C 85.5(7) .
C42C Yb3 C34C 28.1(5) .
C43C Yb3 C34C 52.2(6) .
C38C Yb3 C34C 106.5(8) .
C69C Yb3 C34C 46.2(4) .
C56C Yb3 C34C 129.3(8) .
C63C Yb3 C34C 100.0(7) .
C62C Yb3 C51C 48.5(6) .
C60C Yb3 C51C 109.6(9) .
C61C Yb3 C51C 81.6(8) .
C44C Yb3 C51C 47.5(6) .
C42C Yb3 C51C 107.6(8) .
C43C Yb3 C51C 79.9(7) .
C38C Yb3 C51C 27.5(4) .
C69C Yb3 C51C 137.2(8) .
C56C Yb3 C51C 28.0(3) .
C63C Yb3 C51C 88.4(7) .
C34C Yb3 C51C 132.1(8) .
C04C C02C C03C 121(2) .
C04C C02C C16C 116.7(19) .
C03C C02C C16C 109.3(14) .
C02C C03C C07C 109.7(14) .
C02C C03C C05C 123.5(16) .
C07C C03C C05C 124.1(16) .
C02C C04C C47C 113(2) .
C02C C04C C15C 128(2) .
C47C C04C C15C 103.5(15) .
C50C C05C C03C 109.4(18) .
C50C C05C C11C 98.1(14) .
C03C C05C C11C 107.6(16) .
C24C C06C C84C 107.8(17) .
C24C C06C C08C 111.3(18) .
C84C C06C C08C 133(2) .
C23C C07C C03C 105.4(13) .
C23C C07C C08C 124.7(19) .
C03C C07C C08C 124(2) .
C09C C08C C07C 126(2) .
C09C C08C C06C 105.7(17) .
C07C C08C C06C 117.4(19) .
C08C C09C C10C 127(2) .
C08C C09C C11C 118.0(18) .
C10C C09C C11C 111.4(17) .
C12C C10C C83C 111.0(19) .
C12C C10C C09C 122(2) .
C83C C10C C09C 120.0(19) .
C55C C11C C09C 114(2) .
C55C C11C C05C 97.7(14) .
C09C C11C C05C 115.6(18) .
C10C C12C C67C 125(2) .
C10C C12C C54C 121(2) .
C67C C12C C54C 105.3(14) .
C15C C13C C14C 126(2) .
C15C C13C C28C 103.7(16) .
C14C C13C C28C 128(2) .
C13C C14C C16C 115(2) .
C13C C14C C18C 119(2) .
C16C C14C C18C 115.8(18) .
C13C C15C C26C 131(2) .
C13C C15C C04C 112.9(19) .
C26C C15C C04C 107.8(13) .
C14C C16C C02C 120.4(18) .
C14C C16C C23C 127(2) .
C02C C16C C23C 104.1(13) .
C18C C17C C25C 130(2) .
C18C C17C C20C 119.6(19) .
C25C C17C C20C 99.9(16) .
C17C C18C C14C 113.4(17) .
C17C C18C C19C 123.4(19) .
C14C C18C C19C 119.4(17) .
C27C C19C C22C 106.3(14) .
C27C C19C C18C 124(2) .
C22C C19C C18C 116.6(19) .
C21C C20C C80C 106.6(14) .
C21C C20C C17C 112.8(17) .
C80C C20C C17C 131(2) .
C73C C21C C20C 110.3(16) .
C73C C21C C22C 110.9(19) .
C20C C21C C22C 124(2) .
C19C C22C C37C 109.5(14) .
C19C C22C C21C 122.5(18) .
C37C C22C C21C 120.6(18) .
C25C C23C C07C 122.4(19) .
C25C C23C C16C 119.6(19) .
C07C C23C C16C 111.0(15) .
C06C C24C C79C 106.2(13) .
C06C C24C C25C 131(2) .
C79C C24C C25C 119.6(17) .
C23C C25C C17C 112.0(19) .
C23C C25C C24C 112.1(19) .
C17C C25C C24C 126(2) .
C30C C26C C15C 115.2(19) .
C30C C26C C46C 119(2) .
C15C C26C C46C 107.6(16) .
C19C C27C C31C 109.7(15) .
C19C C27C C28C 123.3(18) .
C31C C27C C28C 117.1(18) .
C29C C28C C27C 119(2) .
C29C C28C C13C 125(2) .
C27C C28C C13C 104.5(17) .
C28C C29C C30C 123(2) .
C28C C29C C33C 121(2) .
C30C C29C C33C 105.2(14) .
C26C C30C C40C 120.9(19) .
C26C C30C C29C 119.4(19) .
C40C C30C C29C 109.8(15) .
C37C C31C C27C 107.9(14) .
C37C C31C C32C 131(2) .
C27C C31C C32C 114.7(18) .
C33C C32C C31C 121(2) .
C33C C32C C34C 125(2) .
C31C C32C C34C 105.9(18) .
C32C C33C C41C 116.0(19) .
C32C C33C C29C 127(2) .
C41C C33C C29C 108.5(14) .
C35C C34C C42C 108.3(10) .
C35C C34C C32C 127.4(18) .
C42C C34C C32C 116.4(14) .
C35C C34C Yb3 83.8(11) .
C42C C34C Yb3 56.6(11) .
C32C C34C Yb3 98.2(18) .
C34C C35C C69C 108.8(9) .
C34C C35C C36C 120.6(18) .
C69C C35C C36C 123.4(17) .
C34C C35C Yb3 70.2(10) .
C69C C35C Yb3 62.9(10) .
C36C C35C Yb3 109(2) .
C74C C36C C35C 119.4(19) .
C74C C36C C37C 116.1(18) .
C35C C36C C37C 117.7(18) .
C31C C37C C22C 106.4(15) .
C31C C37C C36C 117(2) .
C22C C37C C36C 123(2) .
C39C C38C C51C 126.3(17) .
C39C C38C C44C 124.0(13) .
C51C C38C C44C 107.6(10) .
C39C C38C Yb3 104(2) .
C51C C38C Yb3 85.1(12) .
C44C C38C Yb3 63.2(11) .
C38C C39C C40C 116.2(17) .
C38C C39C C45C 117.5(18) .
C40C C39C C45C 116.2(17) .
C30C C40C C41C 107.9(14) .
C30C C40C C39C 121.2(18) .
C41C C40C C39C 125.1(18) .
C40C C41C C33C 108.2(15) .
C40C C41C C43C 117.2(13) .
C33C C41C C43C 126.2(13) .
C40C C41C Yb3 92.0(18) .
C33C C41C Yb3 98.7(18) .
C43C C41C Yb3 54.4(10) .
C43C C42C C34C 123.5(15) .
C43C C42C C60C 120.0(12) .
C34C C42C C60C 107.5(11) .
C43C C42C Yb3 76.8(13) .
C34C C42C Yb3 95.3(14) .
C60C C42C Yb3 68.6(13) .
C42C C43C C41C 112.4(14) .
C42C C43C C44C 119.1(12) .
C41C C43C C44C 117.7(14) .
C42C C43C Yb3 71.3(12) .
C41C C43C Yb3 97.4(13) .
C44C C43C Yb3 70.0(11) .
C62C C44C C38C 108.1(12) .
C62C C44C C43C 117.7(13) .
C38C C44C C43C 117.8(15) .
C62C C44C Yb3 67.7(13) .
C38C C44C Yb3 86.3(14) .
C43C C44C Yb3 75.4(12) .
C46C C45C C48C 113.1(19) .
C46C C45C C39C 118(2) .
C48C C45C C39C 117.9(17) .
C45C C46C C47C 130(2) .
C45C C46C C26C 123.6(17) .
C47C C46C C26C 104.3(13) .
C46C C47C C04C 113.3(15) .
C46C C47C C50C 114.7(16) .
C04C C47C C50C 130.3(18) .
C49C C48C C45C 120.9(19) .
C49C C48C C52C 119.9(18) .
C45C C48C C52C 112.8(17) .
C50C C49C C48C 118.6(18) .
C50C C49C C55C 112.1(18) .
C48C C49C C55C 123(2) .
C49C C50C C47C 119(2) .
C49C C50C C05C 116.5(17) .
C47C C50C C05C 112.4(17) .
C52C C51C C38C 116.4(18) .
C52C C51C C56C 131.6(18) .
C38C C51C C56C 108.3(10) .
C52C C51C Yb3 112(2) .
C38C C51C Yb3 67.4(11) .
C56C C51C Yb3 68.2(10) .
C51C C52C C48C 129(2) .
C51C C52C C53C 105(2) .
C48C C52C C53C 112.3(19) .
C59C C53C C54C 109.2(14) .
C59C C53C C52C 130.1(17) .
C54C C53C C52C 119.4(18) .
C55C C54C C53C 130(2) .
C55C C54C C12C 118.4(19) .
C53C C54C C12C 108.1(16) .
C54C C55C C11C 123(2) .
C54C C55C C49C 114(2) .
C11C C55C C49C 115.1(17) .
C58C C56C C62C 118.2(15) .
C58C C56C C51C 122.3(18) .
C62C C56C C51C 107.2(10) .
C58C C56C Yb3 92.6(18) .
C62C C56C Yb3 56.7(12) .
C51C C56C Yb3 83.8(11) .
C58C C57C C65C 117.6(18) .
C58C C57C C63C 125.1(14) .
C65C C57C C63C 110.9(13) .
C58C C57C Yb3 80.3(16) .
C65C C57C Yb3 105(2) .
C63C C57C Yb3 63.4(11) .
C57C C58C C56C 119.4(18) .
C57C C58C C59C 116.5(19) .
C56C C58C C59C 113.0(18) .
C53C C59C C67C 105.4(16) .
C53C C59C C58C 115.9(19) .
C67C C59C C58C 124(2) .
C69C C60C C42C 107.9(12) .
C69C C60C C61C 119.5(15) .
C42C C60C C61C 123.8(14) .
C69C C60C Yb3 91.6(14) .
C42C C60C Yb3 77.7(14) .
C61C C60C Yb3 72.7(13) .
C63C C61C C62C 118.7(16) .
C63C C61C C60C 114.6(16) .
C62C C61C C60C 114.8(15) .
C63C C61C Yb3 92.3(15) .
C62C C61C Yb3 71.0(13) .
C60C C61C Yb3 72.2(13) .
C44C C62C C56C 107.5(11) .
C44C C62C C61C 124.5(14) .
C56C C62C C61C 121.2(15) .
C44C C62C Yb3 78.9(14) .
C56C C62C Yb3 93.1(14) .
C61C C62C Yb3 73.8(14) .
C61C C63C C57C 117.3(14) .
C61C C63C C71C 127.4(15) .
C57C C63C C71C 105.9(13) .
C61C C63C Yb3 57.9(12) .
C57C C63C Yb3 89.8(13) .
C71C C63C Yb3 95.7(18) .
C68C C64C C71C 116.1(18) .
C68C C64C C65C 131(2) .
C71C C64C C65C 106.7(14) .
C57C C65C C66C 129(2) .
C57C C65C C64C 106.8(14) .
C66C C65C C64C 113.9(18) .
C82C C66C C65C 123(2) .
C82C C66C C67C 115.9(18) .
C65C C66C C67C 113.5(18) .
C12C C67C C59C 110.3(14) .
C12C C67C C66C 123(2) .
C59C C67C C66C 118.4(18) .
C64C C68C C76C 123(2) .
C64C C68C C85C 113(2) .
C76C C68C C85C 105.0(15) .
C70C C69C C35C 117.5(17) .
C70C C69C C60C 127.2(14) .
C35C C69C C60C 107.4(10) .
C70C C69C Yb3 93.8(14) .
C35C C69C Yb3 90.6(12) .
C60C C69C Yb3 58.2(12) .
C69C C70C C77C 121.3(19) .
C69C C70C C71C 115.5(16) .
C77C C70C C71C 118.9(19) .
C69C C70C Yb3 61.4(12) .
C77C C70C Yb3 109(2) .
C71C C70C Yb3 79.8(15) .
C63C C71C C64C 109.7(14) .
C63C C71C C70C 115.1(17) .
C64C C71C C70C 122(2) .
C75C C72C C80C 119.4(19) .
C75C C72C C73C 123(2) .
C80C C72C C73C 111.8(15) .
C21C C73C C72C 104.3(14) .
C21C C73C C74C 131(2) .
C72C C73C C74C 119.2(19) .
C36C C74C C73C 118(2) .
C36C C74C C77C 113.4(19) .
C73C C74C C77C 119(2) .
C72C C75C C81C 119(2) .
C72C C75C C76C 122(2) .
C81C C75C C76C 108.9(15) .
C75C C76C C77C 119(2) .
C75C C76C C68C 108.4(13) .
C77C C76C C68C 124(2) .
C70C C77C C76C 112.9(19) .
C70C C77C C74C 125(2) .
C76C C77C C74C 116.8(19) .
C81C C78C C84C 120(2) .
C81C C78C C79C 127.9(19) .
C84C C78C C79C 106.9(14) .
C80C C79C C24C 118(2) .
C80C C79C C78C 107(2) .
C24C C79C C78C 106.6(16) .
C72C C80C C79C 126(2) .
C72C C80C C20C 106.1(15) .
C79C C80C C20C 119.8(18) .
C78C C81C C75C 118(2) .
C78C C81C C85C 117(2) .
C75C C81C C85C 106.5(15) .
C66C C82C C85C 113.0(17) .
C66C C82C C83C 114.7(18) .
C85C C82C C83C 126.1(19) .
C84C C83C C10C 119.3(19) .
C84C C83C C82C 103.9(18) .
C10C C83C C82C 130(2) .
C78C C84C C06C 108.8(14) .
C78C C84C C83C 133(2) .
C06C C84C C83C 115.0(19) .
C82C C85C C81C 119.0(18) .
C82C C85C C68C 126(2) .
C81C C85C C68C 108.7(13) .
C43D Yb4 C42D 34.8(5) .
C43D Yb4 C44D 37.3(5) .
C42D Yb4 C44D 63.0(7) .
C43D Yb4 C62D 61.3(7) .
C42D Yb4 C62D 69.8(7) .
C44D Yb4 C62D 32.4(5) .
C43D Yb4 C60D 59.5(7) .
C42D Yb4 C60D 32.8(4) .
C44D Yb4 C60D 68.9(7) .
C62D Yb4 C60D 55.9(6) .
C43D Yb4 C38D 60.9(7) .
C42D Yb4 C38D 93.2(9) .
C44D Yb4 C38D 32.6(5) .
C62D Yb4 C38D 52.1(6) .
C60D Yb4 C38D 100.9(8) .
C43D Yb4 C41D 34.3(6) .
C42D Yb4 C41D 56.9(6) .
C44D Yb4 C41D 61.0(6) .
C62D Yb4 C41D 91.8(8) .
C60D Yb4 C41D 88.7(7) .
C38D Yb4 C41D 66.2(6) .
C43D Yb4 C61D 70.3(7) .
C42D Yb4 C61D 58.6(6) .
C44D Yb4 C61D 57.8(6) .
C62D Yb4 C61D 31.1(5) .
C60D Yb4 C61D 31.3(5) .
C38D Yb4 C61D 83.0(7) .
C41D Yb4 C61D 104.6(8) .
C43D Yb4 C34D 57.4(7) .
C42D Yb4 C34D 30.4(5) .
C44D Yb4 C34D 91.8(8) .
C62D Yb4 C34D 99.4(7) .
C60D Yb4 C34D 50.1(5) .
C38D Yb4 C34D 118.1(9) .
C41D Yb4 C34D 61.0(6) .
C61D Yb4 C34D 81.2(7) .
C43D Yb4 C40D 53.6(7) .
C42D Yb4 C40D 83.3(8) .
C44D Yb4 C40D 62.4(7) .
C62D Yb4 C40D 94.2(8) .
C60D Yb4 C40D 112.9(8) .
C38D Yb4 C40D 50.5(5) .
C41D Yb4 C40D 27.8(4) .
C61D Yb4 C40D 118.5(8) .
C34D Yb4 C40D 87.9(7) .
C43D Yb4 C69D 81.8(7) .
C42D Yb4 C69D 48.1(6) .
C44D Yb4 C69D 96.7(7) .
C62D Yb4 C69D 80.0(6) .
C60D Yb4 C69D 27.8(4) .
C38D Yb4 C69D 128.5(8) .
C41D Yb4 C69D 102.6(7) .
C61D Yb4 C69D 50.0(5) .
C34D Yb4 C69D 45.7(5) .
C40D Yb4 C69D 130.2(8) .
C43D Yb4 C39D 64.3(7) .
C42D Yb4 C39D 98.9(8) .
C44D Yb4 C39D 52.3(6) .
C62D Yb4 C39D 78.3(7) .
C60D Yb4 C39D 119.2(8) .
C38D Yb4 C39D 27.0(4) .
C41D Yb4 C39D 52.0(5) .
C61D Yb4 C39D 108.5(8) .
C34D Yb4 C39D 112.7(8) .
C40D Yb4 C39D 27.8(4) .
C69D Yb4 C39D 145.5(8) .
C04D C02D C03D 121(2) .
C04D C02D C16D 118.3(19) .
C03D C02D C16D 109.0(15) .
C02D C03D C07D 110.2(14) .
C02D C03D C05D 122.7(15) .
C07D C03D C05D 126.3(15) .
C02D C04D C47D 113(2) .
C02D C04D C15D 127(2) .
C47D C04D C15D 104.3(15) .
C03D C05D C50D 108.6(18) .
C03D C05D C11D 105.7(16) .
C50D C05D C11D 99.5(14) .
C24D C06D C84D 107.7(17) .
C24D C06D C08D 110.9(18) .
C84D C06D C08D 132(2) .
C23D C07D C03D 105.6(14) .
C23D C07D C08D 125.1(19) .
C03D C07D C08D 123(2) .
C09D C08D C07D 125(2) .
C09D C08D C06D 107.3(18) .
C07D C08D C06D 117.6(19) .
C08D C09D C10D 124(2) .
C08D C09D C11D 120.1(19) .
C10D C09D C11D 109.1(17) .
C12D C10D C83D 111(2) .
C12D C10D C09D 123(2) .
C83D C10D C09D 119.6(19) .
C55D C11D C09D 117(2) .
C55D C11D C05D 96.6(14) .
C09D C11D C05D 115.3(18) .
C10D C12D C67D 125(2) .
C10D C12D C54D 125(2) .
C67D C12D C54D 104.7(13) .
C15D C13D C14D 126(2) .
C15D C13D C28D 103.1(17) .
C14D C13D C28D 126(2) .
C13D C14D C16D 116(2) .
C13D C14D C18D 120(2) .
C16D C14D C18D 116.2(18) .
C13D C15D C26D 132(2) .
C13D C15D C04D 112.8(19) .
C26D C15D C04D 106.9(13) .
C14D C16D C02D 119.7(19) .
C14D C16D C23D 126(2) .
C02D C16D C23D 104.3(13) .
C18D C17D C25D 128(2) .
C18D C17D C20D 120.9(19) .
C25D C17D C20D 100.3(16) .
C17D C18D C14D 114.5(17) .
C17D C18D C19D 122.2(18) .
C14D C18D C19D 120.2(17) .
C27D C19D C22D 106.9(15) .
C27D C19D C18D 122(2) .
C22D C19D C18D 117(2) .
C21D C20D C80D 107.1(14) .
C21D C20D C17D 112.8(18) .
C80D C20D C17D 132(2) .
C73D C21D C20D 110.0(16) .
C73D C21D C22D 111.3(19) .
C20D C21D C22D 123(2) .
C19D C22D C37D 109.4(14) .
C19D C22D C21D 123.2(18) .
C37D C22D C21D 120.8(18) .
C25D C23D C07D 121.9(19) .
C25D C23D C16D 120.5(19) .
C07D C23D C16D 110.7(15) .
C06D C24D C79D 106.5(13) .
C06D C24D C25D 132(2) .
C79D C24D C25D 120.7(17) .
C23D C25D C17D 112.4(19) .
C23D C25D C24D 112.6(19) .
C17D C25D C24D 125(2) .
C30D C26D C15D 115.7(19) .
C30D C26D C46D 120(2) .
C15D C26D C46D 109.2(16) .
C19D C27D C31D 109.4(15) .
C19D C27D C28D 124.2(18) .
C31D C27D C28D 118.6(17) .
C29D C28D C27D 118(2) .
C29D C28D C13D 125(2) .
C27D C28D C13D 105.3(17) .
C28D C29D C30D 124(2) .
C28D C29D C33D 121(2) .
C30D C29D C33D 105.6(13) .
C26D C30D C40D 120.4(19) .
C26D C30D C29D 118.3(19) .
C40D C30D C29D 109.5(15) .
C37D C31D C27D 107.6(14) .
C37D C31D C32D 130(2) .
C27D C31D C32D 112.8(18) .
C33D C32D C31D 121.7(19) .
C33D C32D C34D 125.4(15) .
C31D C32D C34D 107.2(17) .
C33D C32D Yb4 78.4(13) .
C31D C32D Yb4 108(2) .
C34D C32D Yb4 64.1(11) .
C32D C33D C41D 116.2(14) .
C32D C33D C29D 127(2) .
C41D C33D C29D 108.5(12) .
C32D C33D Yb4 78.1(14) .
C41D C33D Yb4 58.5(11) .
C29D C33D Yb4 104.2(19) .
C35D C34D C42D 108.6(11) .
C35D C34D C32D 126.2(17) .
C42D C34D C32D 116.1(12) .
C35D C34D Yb4 92.3(12) .
C42D C34D Yb4 58.5(11) .
C32D C34D Yb4 86.8(12) .
C34D C35D C69D 108.4(10) .
C34D C35D C36D 120.1(17) .
C69D C35D C36D 123.3(18) .
C34D C35D Yb4 61.6(10) .
C69D C35D Yb4 71.9(9) .
C36D C35D Yb4 106(2) .
C74D C36D C35D 120.3(19) .
C74D C36D C37D 115.7(18) .
C35D C36D C37D 119.2(18) .
C31D C37D C22D 106.7(15) .
C31D C37D C36D 116(2) .
C22D C37D C36D 123(2) .
C39D C38D C51D 127.0(16) .
C39D C38D C44D 123.2(12) .
C51D C38D C44D 107.9(10) .
C39D C38D Yb4 93.8(15) .
C51D C38D Yb4 94.9(14) .
C44D C38D Yb4 65.8(12) .
C38D C39D C40D 118.2(11) .
C38D C39D C45D 116.3(16) .
C40D C39D C45D 116.6(16) .
C38D C39D Yb4 59.2(13) .
C40D C39D Yb4 75.7(11) .
C45D C39D Yb4 108.3(19) .
C30D C40D C41D 107.7(12) .
C30D C40D C39D 121.1(17) .
C41D C40D C39D 123.0(12) .
C30D C40D Yb4 108(2) .
C41D C40D Yb4 61.1(11) .
C39D C40D Yb4 76.5(12) .
C40D C41D C33D 108.3(12) .
C40D C41D C43D 117.6(12) .
C33D C41D C43D 126.2(12) .
C40D C41D Yb4 91.1(13) .
C33D C41D Yb4 94.3(14) .
C43D C41D Yb4 59.7(11) .
C43D C42D C34D 123.7(14) .
C43D C42D C60D 119.9(13) .
C34D C42D C60D 107.7(12) .
C43D C42D Yb4 69.3(13) .
C34D C42D Yb4 91.1(14) .
C60D C42D Yb4 81.8(14) .
C42D C43D C41D 112.4(13) .
C42D C43D C44D 118.8(13) .
C41D C43D C44D 118.2(13) .
C42D C43D Yb4 75.9(14) .
C41D C43D Yb4 86.1(13) .
C44D C43D Yb4 75.6(13) .
C62D C44D C38D 107.5(13) .
C62D C44D C43D 118.0(13) .
C38D C44D C43D 117.2(14) .
C62D C44D Yb4 80.2(14) .
C38D C44D Yb4 81.6(14) .
C43D C44D Yb4 67.1(12) .
C46D C45D C48D 114.1(19) .
C46D C45D C39D 117.8(19) .
C48D C45D C39D 118.0(17) .
C45D C46D C47D 127(2) .
C45D C46D C26D 123.6(19) .
C47D C46D C26D 104.2(13) .
C46D C47D C04D 113.2(14) .
C46D C47D C50D 115.8(16) .
C04D C47D C50D 129.5(17) .
C49D C48D C45D 122.9(19) .
C49D C48D C52D 116.9(18) .
C45D C48D C52D 113.9(16) .
C50D C49D C48D 115.9(17) .
C50D C49D C55D 112.9(18) .
C48D C49D C55D 125(2) .
C49D C50D C47D 120(2) .
C49D C50D C05D 114.9(17) .
C47D C50D C05D 112.5(17) .
C52D C51D C38D 117.6(17) .
C52D C51D C56D 130.3(18) .
C38D C51D C56D 108.3(9) .
C52D C51D Yb4 111(2) .
C38D C51D Yb4 58.1(12) .
C56D C51D Yb4 77.3(10) .
C51D C52D C48D 127(2) .
C51D C52D C53D 107(2) .
C48D C52D C53D 113.5(19) .
C59D C53D C54D 107.4(13) .
C59D C53D C52D 129.3(18) .
C54D C53D C52D 121.3(18) .
C55D C54D C12D 115(2) .
C55D C54D C53D 127(2) .
C12D C54D C53D 108.3(17) .
C54D C55D C11D 123.2(19) .
C54D C55D C49D 116(2) .
C11D C55D C49D 115.7(17) .
C58D C56D C62D 119.0(16) .
C58D C56D C51D 122.0(19) .
C62D C56D C51D 107.0(9) .
C58D C56D Yb4 101.4(19) .
C62D C56D Yb4 55.9(11) .
C51D C56D Yb4 75.9(10) .
C58D C57D C65D 117.8(19) .
C58D C57D C63D 124.7(19) .
C65D C57D C63D 111.4(14) .
C57D C58D C56D 119(2) .
C57D C58D C59D 116.3(19) .
C56D C58D C59D 114.3(18) .
C53D C59D C67D 106.2(16) .
C53D C59D C58D 115.4(19) .
C67D C59D C58D 124(2) .
C42D C60D C69D 107.6(11) .
C42D C60D C61D 124.3(14) .
C69D C60D C61D 118.1(16) .
C42D C60D Yb4 65.4(13) .
C69D C60D Yb4 94.1(13) .
C61D C60D Yb4 80.6(13) .
C63D C61D C62D 118.6(18) .
C63D C61D C60D 116.0(19) .
C62D C61D C60D 114.3(14) .
C63D C61D Yb4 102(2) .
C62D C61D Yb4 67.6(12) .
C60D C61D Yb4 68.2(12) .
C44D C62D C56D 107.9(11) .
C44D C62D C61D 124.7(14) .
C56D C62D C61D 120.6(16) .
C44D C62D Yb4 67.4(13) .
C56D C62D Yb4 96.8(13) .
C61D C62D Yb4 81.3(13) .
C61D C63D C57D 118.1(19) .
C61D C63D C71D 127(2) .
C57D C63D C71D 105.5(14) .
C68D C64D C71D 115.7(18) .
C68D C64D C65D 132(2) .
C71D C64D C65D 107.1(14) .
C57D C65D C66D 130(2) .
C57D C65D C64D 106.5(14) .
C66D C65D C64D 113.8(18) .
C82D C66D C65D 122(2) .
C82D C66D C67D 115.9(18) .
C65D C66D C67D 112.7(18) .
C12D C67D C59D 110.4(15) .
C12D C67D C66D 123.2(19) .
C59D C67D C66D 118.7(18) .
C64D C68D C76D 122(2) .
C64D C68D C85D 113(2) .
C76D C68D C85D 104.8(15) .
C70D C69D C35D 116.5(19) .
C70D C69D C60D 126.2(17) .
C35D C69D C60D 107.7(10) .
C70D C69D Yb4 99(2) .
C35D C69D Yb4 81.9(10) .
C60D C69D Yb4 58.1(11) .
C69D C70D C77D 122(2) .
C69D C70D C71D 117.0(19) .
C77D C70D C71D 118.9(19) .
C63D C71D C64D 109.5(14) .
C63D C71D C70D 113.7(19) .
C64D C71D C70D 122(2) .
C75D C72D C80D 117(2) .
C75D C72D C73D 123(2) .
C80D C72D C73D 112.4(15) .
C21D C73D C72D 103.9(14) .
C21D C73D C74D 129(2) .
C72D C73D C74D 119.6(19) .
C36D C74D C73D 119(2) .
C36D C74D C77D 112.4(19) .
C73D C74D C77D 119(2) .
C72D C75D C81D 121(2) .
C72D C75D C76D 122(2) .
C81D C75D C76D 108.9(15) .
C75D C76D C77D 120(2) .
C75D C76D C68D 108.8(13) .
C77D C76D C68D 125.7(19) .
C70D C77D C76D 112(2) .
C70D C77D C74D 125(2) .
C76D C77D C74D 116.1(19) .
C81D C78D C84D 119(2) .
C81D C78D C79D 126(2) .
C84D C78D C79D 107.5(14) .
C80D C79D C24D 118(2) .
C80D C79D C78D 110(2) .
C24D C79D C78D 105.8(17) .
C72D C80D C79D 126(2) .
C72D C80D C20D 105.3(15) .
C79D C80D C20D 119.2(19) .
C78D C81D C75D 118(2) .
C78D C81D C85D 120(2) .
C75D C81D C85D 106.9(15) .
C66D C82D C83D 114.4(19) .
C66D C82D C85D 113.7(17) .
C83D C82D C85D 125(2) .
C84D C83D C10D 121.3(18) .
C84D C83D C82D 106.4(17) .
C10D C83D C82D 130.3(18) .
C78D C84D C06D 107.9(14) .
C78D C84D C83D 131(2) .
C06D C84D C83D 113(2) .
C82D C85D C81D 117.9(18) .
C82D C85D C68D 125(2) .
C81D C85D C68D 108.4(13) .
C6O C1O C2O 123.8(5) .
C6O C1O Cl2 122.9(5) .
C2O C1O Cl2 113.2(5) .
C3O C2O C1O 115.9(6) .
C3O C2O H2O 122.0 .
C1O C2O H2O 122.0 .
C2O C3O C4O 122.4(5) .
C2O C3O H3O 118.8 .
C4O C3O H3O 118.8 .
C3O C4O C5O 117.1(5) .
C3O C4O H4O 121.5 .
C5O C4O H4O 121.5 .
C4O C5O C6O 120.2(7) .
C4O C5O H5O 119.9 .
C6O C5O H5O 119.9 .
C1O C6O C5O 120.4(5) .
C1O C6O Cl1 121.9(5) .
C5O C6O Cl1 117.7(6) .
C9O C9O C8O 123.9(5) 2_655
C9O C9O Cl3 120.0(2) 2_655
C8O C9O Cl3 116.1(6) .
C9O C8O C7O 112.2(8) .
C9O C8O H8O 123.9 .
C7O C8O H8O 123.9 .
C7O C7O C8O 123.9(4) 2_655
C7O C7O H7O 118.1 2_655
C8O C7O H7O 118.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 C62A 2.437(14) .
Yb1 C44A 2.449(13) .
Yb1 C43A 2.467(10) .
Yb1 C42A 2.516(10) .
Yb1 C60A 2.552(16) .
Yb1 C61A 2.608(13) .
Yb1 C38A 2.654(16) .
Yb1 C56A 2.901(12) .
Yb1 C41A 2.958(10) .
Yb1 C51A 2.964(12) .
Yb1 C34A 2.976(8) .
Yb1 C69A 2.994(9) .
C1N C6N 1.510(14) .
C1N C4N 1.572(16) .
C1N C10N 1.570(14) .
C1N H1N 1.0000 .
C2N C3N 1.449(13) .
C2N C10N 1.522(12) .
C2N C5N 1.606(13) .
C2N H2N 1.0000 .
C3N C8N 1.504(15) .
C3N H3N1 0.9900 .
C3N H3N2 0.9900 .
C4N C8N 1.520(15) .
C4N H4N1 0.9900 .
C4N H4N2 0.9900 .
C5N C7N 1.500(18) .
C5N H5N1 0.9900 .
C5N H5N2 0.9900 .
C6N C7N 1.534(15) .
C6N H6N1 0.9900 .
C6N H6N2 0.9900 .
C7N C9N 1.451(16) .
C7N H7N 1.0000 .
C8N C9N 1.626(14) .
C8N H8N 1.0000 .
C9N H9N1 0.9900 .
C9N H9N2 0.9900 .
C10N C11A 1.482(14) .
C10N C05A 1.490(13) .
C02A C04A 1.300(13) .
C02A C03A 1.427(7) .
C02A C16A 1.435(7) .
C03A C07A 1.428(7) .
C03A C05A 1.490(10) .
C04A C47A 1.421(7) .
C04A C15A 1.434(7) .
C05A C50A 1.489(11) .
C05A C11A 2.037(14) .
C06A C84A 1.411(7) .
C06A C24A 1.415(7) .
C06A C08A 1.506(14) .
C07A C23A 1.425(7) .
C07A C08A 1.493(13) .
C08A C09A 1.410(17) .
C09A C10A 1.465(15) .
C09A C11A 1.489(19) .
C10A C12A 1.330(16) .
C10A C83A 1.418(10) .
C11A C55A 1.442(18) .
C12A C67A 1.408(7) .
C12A C54A 1.409(8) .
C13A C15A 1.366(17) .
C13A C14A 1.429(19) .
C13A C28A 1.665(19) .
C14A C16A 1.423(14) .
C14A C18A 1.462(9) .
C15A C26A 1.423(7) .
C16A C23A 1.439(7) .
C17A C18A 1.447(10) .
C17A C25A 1.540(17) .
C17A C20A 1.644(18) .
C18A C19A 1.463(9) .
C19A C27A 1.428(7) .
C19A C22A 1.435(7) .
C20A C21A 1.411(8) .
C20A C80A 1.415(7) .
C21A C73A 1.417(8) .
C21A C22A 1.497(16) .
C22A C37A 1.436(7) .
C23A C25A 1.351(14) .
C24A C79A 1.411(7) .
C24A C25A 1.563(16) .
C26A C30A 1.394(13) .
C26A C46A 1.430(7) .
C27A C31A 1.433(7) .
C27A C28A 1.663(19) .
C28A C29A 1.184(17) .
C29A C30A 1.425(7) .
C29A C33A 1.434(7) .
C30A C40A 1.421(7) .
C31A C37A 1.428(8) .
C31A C32A 1.470(17) .
C32A C33A 1.275(17) .
C32A C34A 1.507(16) .
C33A C41A 1.425(7) .
C34A C35A 1.405(7) .
C34A C42A 1.420(7) .
C35A C69A 1.417(8) .
C35A C36A 1.439(15) .
C36A C74A 1.415(16) .
C36A C37A 1.464(15) .
C38A C39A 1.392(11) .
C38A C51A 1.415(7) .
C38A C44A 1.422(7) .
C39A C40A 1.455(12) .
C39A C45A 1.524(11) .
C40A C41A 1.423(8) .
C41A C43A 1.491(15) .
C42A C43A 1.397(14) .
C42A C60A 1.420(7) .
C43A C44A 1.512(14) .
C44A C62A 1.412(7) .
C45A C46A 1.338(14) .
C45A C48A 1.472(14) .
C46A C47A 1.412(7) .
C47A C50A 1.434(14) .
C48A C49A 1.439(15) .
C48A C52A 1.543(19) .
C49A C50A 1.403(15) .
C49A C55A 1.523(17) .
C51A C52A 1.280(18) .
C51A C56A 1.424(7) .
C52A C53A 1.568(19) .
C53A C59A 1.403(8) .
C53A C54A 1.411(7) .
C54A C55A 1.313(16) .
C56A C58A 1.412(11) .
C56A C62A 1.419(7) .
C57A C58A 1.333(16) .
C57A C65A 1.416(7) .
C57A C63A 1.424(7) .
C58A C59A 1.509(16) .
C59A C67A 1.411(8) .
C60A C69A 1.422(8) .
C60A C61A 1.448(17) .
C61A C63A 1.418(18) .
C61A C62A 1.438(17) .
C63A C71A 1.422(7) .
C64A C68A 1.229(15) .
C64A C71A 1.417(7) .
C64A C65A 1.436(7) .
C65A C66A 1.411(10) .
C66A C82A 1.424(10) .
C66A C67A 1.449(10) .
C68A C76A 1.453(7) .
C68A C85A 1.457(8) .
C69A C70A 1.338(18) .
C70A C77A 1.37(2) .
C70A C71A 1.536(18) .
C72A C75A 1.315(18) .
C72A C80A 1.412(7) .
C72A C73A 1.413(8) .
C73A C74A 1.457(15) .
C74A C77A 1.48(2) .
C75A C81A 1.445(8) .
C75A C76A 1.450(7) .
C76A C77A 1.470(17) .
C78A C81A 1.255(14) .
C78A C84A 1.402(7) .
C78A C79A 1.425(7) .
C79A C80A 1.401(15) .
C81A C85A 1.451(8) .
C82A C85A 1.433(10) .
C82A C83A 1.436(10) .
C83A C84A 1.421(11) .
Yb2 C44B 2.446(19) .
Yb2 C62B 2.454(16) .
Yb2 C61B 2.549(12) .
Yb2 C60B 2.582(14) .
Yb2 C43B 2.595(14) .
Yb2 C38B 2.638(18) .
Yb2 C42B 2.638(15) .
Yb2 C56B 2.813(14) .
Yb2 C51B 2.893(14) .
Yb2 C63B 3.012(17) .
Yb2 C69B 3.042(11) .
Yb2 C41B 3.059(15) .
C1M C6M 1.514(11) .
C1M C4M 1.567(13) .
C1M C10M 1.570(11) .
C1M H1M 1.0000 .
C2M C3M 1.463(14) .
C2M C10M 1.506(11) .
C2M C5M 1.620(14) .
C2M H2M 1.0000 .
C3M C8M 1.515(13) .
C3M H3M1 0.9900 .
C3M H3M2 0.9900 .
C4M C8M 1.530(12) .
C4M H4M1 0.9900 .
C4M H4M2 0.9900 .
C5M C7M 1.501(18) .
C5M H5M1 0.9900 .
C5M H5M2 0.9900 .
C6M C7M 1.521(16) .
C6M H6M1 0.9900 .
C6M H6M2 0.9900 .
C7M C9M 1.457(17) .
C7M H7M 1.0000 .
C8M C9M 1.618(13) .
C8M H8M 1.0000 .
C9M H9M1 0.9900 .
C9M H9M2 0.9900 .
C10M C05B 1.488(13) .
C10M C11B 1.546(17) .
C02B C04B 1.276(16) .
C02B C03B 1.401(13) .
C02B C16B 1.444(14) .
C03B C07B 1.444(13) .
C03B C05B 1.467(13) .
C04B C47B 1.429(13) .
C04B C15B 1.465(12) .
C05B C50B 1.470(14) .
C06B C24B 1.405(14) .
C06B C84B 1.415(14) .
C06B C08B 1.521(16) .
C07B C23B 1.416(13) .
C07B C08B 1.504(16) .
C08B C09B 1.393(18) .
C09B C10B 1.483(17) .
C09B C11B 1.49(2) .
C10B C12B 1.300(17) .
C10B C83B 1.428(11) .
C11B C55B 1.464(17) .
C12B C67B 1.406(14) .
C12B C54B 1.421(15) .
C13B C15B 1.367(18) .
C13B C14B 1.398(19) .
C13B C28B 1.682(18) .
C14B C16B 1.442(15) .
C14B C18B 1.462(14) .
C15B C26B 1.419(14) .
C16B C23B 1.455(14) .
C17B C18B 1.402(15) .
C17B C25B 1.552(18) .
C17B C20B 1.63(2) .
C18B C19B 1.486(14) .
C19B C27B 1.396(14) .
C19B C22B 1.414(14) .
C20B C21B 1.408(14) .
C20B C80B 1.437(14) .
C21B C73B 1.405(14) .
C21B C22B 1.499(18) .
C22B C37B 1.471(15) .
C23B C25B 1.343(17) .
C24B C79B 1.402(14) .
C24B C25B 1.561(19) .
C26B C30B 1.412(16) .
C26B C46B 1.458(13) .
C27B C31B 1.458(14) .
C27B C28B 1.662(19) .
C28B C29B 1.148(18) .
C29B C30B 1.441(14) .
C29B C33B 1.460(14) .
C30B C40B 1.406(15) .
C31B C37B 1.411(15) .
C31B C32B 1.475(19) .
C32B C33B 1.264(18) .
C32B C34B 1.523(18) .
C33B C41B 1.415(14) .
C34B C35B 1.391(14) .
C34B C42B 1.411(13) .
C35B C69B 1.406(14) .
C35B C36B 1.454(16) .
C36B C74B 1.409(18) .
C36B C37B 1.462(17) .
C38B C51B 1.388(14) .
C38B C39B 1.386(16) .
C38B C44B 1.426(14) .
C39B C40B 1.462(16) .
C39B C45B 1.552(14) .
C40B C41B 1.403(14) .
C41B C43B 1.510(17) .
C42B C43B 1.408(17) .
C42B C60B 1.432(14) .
C43B C44B 1.504(16) .
C44B C62B 1.397(14) .
C45B C46B 1.340(16) .
C45B C48B 1.464(15) .
C46B C47B 1.385(13) .
C47B C50B 1.453(14) .
C48B C49B 1.419(15) .
C48B C52B 1.526(19) .
C49B C50B 1.400(15) .
C49B C55B 1.528(17) .
C51B C52B 1.290(19) .
C51B C56B 1.434(11) .
C52B C53B 1.54(2) .
C53B C59B 1.379(15) .
C53B C54B 1.433(14) .
C54B C55B 1.304(17) .
C56B C58B 1.426(11) .
C56B C62B 1.435(11) .
C57B C58B 1.338(17) .
C57B C65B 1.407(14) .
C57B C63B 1.437(13) .
C58B C59B 1.534(17) .
C59B C67B 1.410(14) .
C60B C69B 1.425(14) .
C60B C61B 1.447(17) .
C61B C63B 1.39(2) .
C61B C62B 1.449(19) .
C63B C71B 1.436(14) .
C64B C68B 1.203(16) .
C64B C71B 1.444(14) .
C64B C65B 1.481(14) .
C65B C66B 1.439(10) .
C66B C82B 1.402(10) .
C66B C67B 1.431(11) .
C68B C76B 1.477(14) .
C68B C85B 1.483(13) .
C69B C70B 1.351(19) .
C70B C77B 1.37(2) .
C70B C71B 1.537(19) .
C72B C75B 1.32(2) .
C72B C80B 1.385(14) .
C72B C73B 1.411(14) .
C73B C74B 1.451(16) .
C74B C77B 1.47(2) .
C75B C81B 1.428(14) .
C75B C76B 1.454(14) .
C76B C77B 1.465(19) .
C78B C81B 1.266(17) .
C78B C84B 1.372(14) .
C78B C79B 1.460(14) .
C79B C80B 1.379(16) .
C81B C85B 1.466(14) .
C82B C85B 1.429(10) .
C82B C83B 1.447(11) .
C83B C84B 1.416(11) .
Yb3 C62C 2.37(3) .
Yb3 C60C 2.40(3) .
Yb3 C61C 2.40(3) .
Yb3 C44C 2.51(3) .
Yb3 C42C 2.51(3) .
Yb3 C43C 2.58(3) .
Yb3 C38C 2.80(3) .
Yb3 C69C 2.82(2) .
Yb3 C56C 2.83(3) .
Yb3 C63C 2.83(3) .
Yb3 C34C 3.00(3) .
Yb3 C51C 3.03(3) .
C02C C04C 1.290(18) .
C02C C03C 1.411(15) .
C02C C16C 1.443(16) .
C03C C07C 1.433(15) .
C03C C05C 1.482(16) .
C04C C47C 1.418(15) .
C04C C15C 1.443(15) .
C05C C50C 1.482(17) .
C05C C11C 2.03(2) .
C06C C24C 1.397(16) .
C06C C84C 1.403(16) .
C06C C08C 1.512(18) .
C07C C23C 1.419(16) .
C07C C08C 1.495(18) .
C08C C09C 1.40(2) .
C09C C10C 1.479(19) .
C09C C11C 1.49(2) .
C10C C12C 1.32(2) .
C10C C83C 1.431(12) .
C11C C55C 1.46(2) .
C12C C67C 1.406(16) .
C12C C54C 1.410(16) .
C13C C15C 1.36(2) .
C13C C14C 1.41(2) .
C13C C28C 1.67(2) .
C14C C16C 1.440(18) .
C14C C18C 1.467(17) .
C15C C26C 1.416(16) .
C16C C23C 1.460(16) .
C17C C18C 1.421(17) .
C17C C25C 1.54(2) .
C17C C20C 1.65(2) .
C18C C19C 1.479(16) .
C19C C27C 1.416(16) .
C19C C22C 1.425(16) .
C20C C21C 1.406(16) .
C20C C80C 1.426(16) .
C21C C73C 1.404(16) .
C21C C22C 1.50(2) .
C22C C37C 1.458(16) .
C23C C25C 1.353(19) .
C24C C79C 1.412(16) .
C24C C25C 1.56(2) .
C26C C30C 1.400(18) .
C26C C46C 1.443(16) .
C27C C31C 1.441(16) .
C27C C28C 1.67(2) .
C28C C29C 1.17(2) .
C29C C30C 1.435(16) .
C29C C33C 1.452(16) .
C30C C40C 1.409(16) .
C31C C37C 1.417(16) .
C31C C32C 1.48(2) .
C32C C33C 1.27(2) .
C32C C34C 1.51(2) .
C33C C41C 1.425(16) .
C34C C35C 1.400(14) .
C34C C42C 1.416(15) .
C35C C69C 1.413(15) .
C35C C36C 1.445(19) .
C36C C74C 1.41(2) .
C36C C37C 1.47(2) .
C38C C39C 1.391(17) .
C38C C51C 1.402(15) .
C38C C44C 1.424(16) .
C39C C40C 1.460(17) .
C39C C45C 1.548(17) .
C40C C41C 1.410(16) .
C41C C43C 1.503(19) .
C42C C43C 1.403(18) .
C42C C60C 1.424(15) .
C43C C44C 1.514(17) .
C44C C62C 1.405(14) .
C45C C46C 1.342(19) .
C45C C48C 1.476(18) .
C46C C47C 1.385(15) .
C47C C50C 1.436(18) .
C48C C49C 1.431(18) .
C48C C52C 1.54(2) .
C49C C50C 1.405(19) .
C49C C55C 1.53(2) .
C51C C52C 1.29(2) .
C51C C56C 1.428(12) .
C52C C53C 1.55(2) .
C53C C59C 1.379(16) .
C53C C54C 1.406(16) .
C54C C55C 1.297(19) .
C56C C58C 1.423(13) .
C56C C62C 1.425(12) .
C57C C58C 1.33(2) .
C57C C65C 1.411(15) .
C57C C63C 1.425(14) .
C58C C59C 1.52(2) .
C59C C67C 1.415(16) .
C60C C69C 1.420(15) .
C60C C61C 1.45(2) .
C61C C63C 1.41(2) .
C61C C62C 1.44(2) .
C63C C71C 1.432(16) .
C64C C68C 1.218(19) .
C64C C71C 1.433(16) .
C64C C65C 1.460(16) .
C65C C66C 1.428(12) .
C66C C82C 1.424(12) .
C66C C67C 1.429(12) .
C68C C76C 1.466(16) .
C68C C85C 1.469(16) .
C69C C70C 1.35(2) .
C70C C77C 1.37(2) .
C70C C71C 1.54(2) .
C72C C75C 1.30(2) .
C72C C80C 1.388(16) .
C72C C73C 1.406(16) .
C73C C74C 1.451(19) .
C74C C77C 1.48(3) .
C75C C81C 1.440(16) .
C75C C76C 1.451(16) .
C76C C77C 1.46(2) .
C78C C81C 1.260(19) .
C78C C84C 1.374(15) .
C78C C79C 1.445(16) .
C79C C80C 1.389(19) .
C81C C85C 1.463(16) .
C82C C85C 1.427(12) .
C82C C83C 1.433(12) .
C83C C84C 1.422(12) .
Yb4 C43D 2.30(3) .
Yb4 C42D 2.39(3) .
Yb4 C44D 2.42(3) .
Yb4 C62D 2.58(3) .
Yb4 C60D 2.60(3) .
Yb4 C38D 2.62(3) .
Yb4 C41D 2.66(3) .
Yb4 C61D 2.76(3) .
Yb4 C34D 2.80(3) .
Yb4 C40D 3.04(3) .
Yb4 C69D 3.05(2) .
Yb4 C39D 3.05(3) .
C02D C04D 1.285(18) .
C02D C03D 1.407(15) .
C02D C16D 1.441(16) .
C03D C07D 1.424(15) .
C03D C05D 1.476(16) .
C04D C47D 1.417(15) .
C04D C15D 1.447(15) .
C05D C50D 1.481(17) .
C05D C11D 2.03(2) .
C06D C24D 1.403(15) .
C06D C84D 1.405(16) .
C06D C08D 1.512(18) .
C07D C23D 1.418(16) .
C07D C08D 1.496(18) .
C08D C09D 1.41(2) .
C09D C10D 1.481(19) .
C09D C11D 1.49(2) .
C10D C12D 1.32(2) .
C10D C83D 1.425(12) .
C11D C55D 1.45(2) .
C12D C67D 1.404(16) .
C12D C54D 1.414(16) .
C13D C15D 1.36(2) .
C13D C14D 1.42(2) .
C13D C28D 1.68(2) .
C14D C16D 1.434(18) .
C14D C18D 1.465(16) .
C15D C26D 1.418(16) .
C16D C23D 1.462(16) .
C17D C18D 1.421(17) .
C17D C25D 1.55(2) .
C17D C20D 1.64(2) .
C18D C19D 1.479(16) .
C19D C27D 1.414(16) .
C19D C22D 1.424(16) .
C20D C21D 1.408(16) .
C20D C80D 1.427(16) .
C21D C73D 1.406(16) .
C21D C22D 1.50(2) .
C22D C37D 1.456(16) .
C23D C25D 1.349(19) .
C24D C79D 1.407(16) .
C24D C25D 1.56(2) .
C26D C30D 1.399(18) .
C26D C46D 1.439(16) .
C27D C31D 1.449(16) .
C27D C28D 1.66(2) .
C28D C29D 1.17(2) .
C29D C30D 1.436(16) .
C29D C33D 1.448(16) .
C30D C40D 1.413(16) .
C31D C37D 1.421(16) .
C31D C32D 1.48(2) .
C32D C33D 1.27(2) .
C32D C34D 1.513(19) .
C33D C41D 1.423(15) .
C34D C35D 1.400(15) .
C34D C42D 1.416(14) .
C35D C69D 1.415(15) .
C35D C36D 1.442(19) .
C36D C74D 1.41(2) .
C36D C37D 1.47(2) .
C38D C39D 1.386(16) .
C38D C51D 1.400(15) .
C38D C44D 1.427(15) .
C39D C40D 1.460(16) .
C39D C45D 1.552(17) .
C40D C41D 1.416(15) .
C41D C43D 1.501(18) .
C42D C43D 1.404(18) .
C42D C60D 1.422(15) .
C43D C44D 1.512(17) .
C44D C62D 1.405(15) .
C45D C46D 1.345(19) .
C45D C48D 1.476(18) .
C46D C47D 1.388(15) .
C47D C50D 1.440(18) .
C48D C49D 1.430(18) .
C48D C52D 1.54(2) .
C49D C50D 1.403(19) .
C49D C55D 1.52(2) .
C51D C52D 1.29(2) .
C51D C56D 1.428(12) .
C52D C53D 1.55(2) .
C53D C59D 1.385(16) .
C53D C54D 1.416(16) .
C54D C55D 1.30(2) .
C56D C58D 1.423(13) .
C56D C62D 1.427(12) .
C57D C58D 1.33(2) .
C57D C65D 1.405(15) .
C57D C63D 1.427(15) .
C58D C59D 1.52(2) .
C59D C67D 1.414(16) .
C60D C69D 1.426(15) .
C60D C61D 1.452(19) .
C61D C63D 1.40(2) .
C61D C62D 1.44(2) .
C63D C71D 1.430(16) .
C64D C68D 1.217(19) .
C64D C71D 1.434(16) .
C64D C65D 1.453(16) .
C65D C66D 1.432(12) .
C66D C82D 1.425(12) .
C66D C67D 1.433(12) .
C68D C76D 1.461(16) .
C68D C85D 1.473(16) .
C69D C70D 1.35(2) .
C70D C77D 1.37(2) .
C70D C71D 1.53(2) .
C72D C75D 1.30(2) .
C72D C80D 1.393(16) .
C72D C73D 1.408(16) .
C73D C74D 1.455(19) .
C74D C77D 1.48(3) .
C75D C81D 1.432(16) .
C75D C76D 1.444(16) .
C76D C77D 1.46(2) .
C78D C81D 1.257(19) .
C78D C84D 1.384(16) .
C78D C79D 1.446(16) .
C79D C80D 1.394(19) .
C81D C85D 1.464(16) .
C82D C83D 1.428(12) .
C82D C85D 1.433(12) .
C83D C84D 1.422(12) .
C1O C6O 1.350(9) .
C1O C2O 1.489(6) .
C1O Cl2 1.708(7) .
C2O C3O 1.464(6) .
C2O H2O 0.9500 .
C3O C4O 1.469(6) .
C3O H3O 0.9500 .
C4O C5O 1.476(7) .
C4O H4O 0.9500 .
C5O C6O 1.479(6) .
C5O H5O 0.9500 .
C6O Cl1 1.693(8) .
C9O C9O 1.372(11) 2_655
C9O C8O 1.416(9) .
C9O Cl3 1.739(6) .
C8O C7O 1.418(12) .
C8O H8O 0.9500 .
C7O C7O 1.369(18) 2_655
C7O H7O 0.9500 .
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-11-16T00:18:53+02:00
;
 Replaced the '\/Y' character sequence with the backslash character ('\')
 in the '_diffrn_measurement_method' data value.
;
