#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:02:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178690 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/01/4080118.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_4080118
loop_
_publ_author_name
'Basalov, Ivan V.'
'Lyubov, Dmitry M.'
'Fukin, Georgy K.'
'Cherkasov, Anton V.'
'Trifonov, Alexander A.'
_publ_section_title
;
 Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs
 Hydrido Ligand. Metathesis of the Yb--H Bond
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1507
_journal_paper_doi               10.1021/om400015k
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C91.67 H139.67 N6 O4.17 Yb2'
_chemical_formula_weight         1738.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.023(2)
_cell_angle_beta                 106.486(3)
_cell_angle_gamma                97.723(3)
_cell_formula_units_Z            6
_cell_length_a                   20.671(2)
_cell_length_b                   26.709(3)
_cell_length_c                   29.791(3)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     14200(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.2078
_diffrn_reflns_av_sigmaI/netI    0.4928
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            84342
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    2.011
_exptl_absorpt_correction_T_max  0.9421
_exptl_absorpt_correction_T_min  0.7261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5430
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.552
_refine_diff_density_min         -1.523
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.823
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2530
_refine_ls_number_reflns         54635
_refine_ls_number_restraints     1083
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.3462
_refine_ls_R_factor_gt           0.1105
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0623P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.2314
_reflns_number_gt                14999
_reflns_number_total             54635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400015k_si_003.cif
_cod_data_source_block           ybamh3m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4080118
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1A Yb 0.16611(2) -0.20159(2) 0.162458(18) 0.03538(15) Uani 1 1 d . . .
N1A N 0.1735(4) -0.2016(3) 0.2375(3) 0.030(2) Uani 1 1 d U . .
N2A N 0.2789(4) -0.1553(3) 0.2033(3) 0.038(3) Uani 1 1 d . . .
N3A N 0.1317(4) -0.2654(3) 0.0836(3) 0.037(3) Uani 1 1 d . . .
N4A N 0.0859(4) -0.1651(4) 0.1323(3) 0.037(3) Uani 1 1 d . . .
C1A C 0.2418(5) -0.2089(5) 0.2478(4) 0.042(3) Uani 1 1 d . . .
H1AA H 0.2549 -0.2293 0.2676 0.051 Uiso 1 1 calc R . .
C2A C 0.2893(4) -0.1891(4) 0.2316(3) 0.027(2) Uani 1 1 d U . .
H2AA H 0.3329 -0.1980 0.2393 0.032 Uiso 1 1 calc R . .
C3A C 0.3374(2) -0.1250(2) 0.2011(2) 0.043(3) Uani 1 1 d G . .
C4A C 0.3907(3) -0.0875(3) 0.2465(2) 0.055(4) Uani 1 1 d G . .
C5A C 0.4504(3) -0.0587(3) 0.2446(3) 0.065(4) Uani 1 1 d GU . .
H5AA H 0.4869 -0.0331 0.2756 0.078 Uiso 1 1 calc R . .
C6A C 0.4569(3) -0.0675(3) 0.1973(4) 0.077(4) Uani 1 1 d GU . .
H6AA H 0.4977 -0.0479 0.1960 0.092 Uiso 1 1 calc R . .
C7A C 0.4035(4) -0.1051(4) 0.1519(3) 0.050(3) Uani 1 1 d GU . .
H7AA H 0.4079 -0.1111 0.1196 0.060 Uiso 1 1 calc R . .
C8A C 0.3438(3) -0.1338(3) 0.1538(2) 0.041(3) Uani 1 1 d G . .
C9A C 0.3844(7) -0.0713(6) 0.2976(5) 0.082(2) Uani 1 1 d U . .
H9AA H 0.3491 -0.1029 0.2947 0.099 Uiso 1 1 calc R . .
C10A C 0.4503(6) -0.0612(6) 0.3428(5) 0.082(2) Uani 1 1 d U . .
H10A H 0.4752 -0.0894 0.3316 0.124 Uiso 1 1 calc R . .
H10B H 0.4372 -0.0638 0.3711 0.124 Uiso 1 1 calc R . .
H10C H 0.4808 -0.0241 0.3544 0.124 Uiso 1 1 calc R . .
C11A C 0.3533(6) -0.0196(5) 0.3109(5) 0.081(5) Uani 1 1 d . . .
H11A H 0.3136 -0.0247 0.2808 0.122 Uiso 1 1 calc R . .
H11B H 0.3894 0.0141 0.3206 0.122 Uiso 1 1 calc R . .
H11C H 0.3374 -0.0159 0.3397 0.122 Uiso 1 1 calc R . .
C12A C 0.2867(5) -0.1767(5) 0.1028(4) 0.044(4) Uani 1 1 d . . .
H12A H 0.2618 -0.2063 0.1097 0.053 Uiso 1 1 calc R . .
C13A C 0.3120(5) -0.2043(5) 0.0590(4) 0.058(5) Uani 1 1 d . . .
H13A H 0.3515 -0.2185 0.0715 0.088 Uiso 1 1 calc R . .
H13B H 0.3270 -0.1770 0.0466 0.088 Uiso 1 1 calc R . .
H13C H 0.2739 -0.2352 0.0307 0.088 Uiso 1 1 calc R . .
C14A C 0.2337(5) -0.1471(5) 0.0828(4) 0.047(4) Uani 1 1 d . . .
H14A H 0.2233 -0.1221 0.1116 0.070 Uiso 1 1 calc R . .
H14B H 0.1905 -0.1749 0.0570 0.070 Uiso 1 1 calc R . .
H14C H 0.2536 -0.1256 0.0670 0.070 Uiso 1 1 calc R . .
C15A C 0.1394(4) -0.2052(4) 0.2735(3) 0.029(2) Uani 1 1 d U . .
C16A C 0.0730(5) -0.2356(5) 0.2525(4) 0.043(2) Uani 1 1 d U . .
C17A C 0.0399(6) -0.2427(5) 0.2854(5) 0.066(4) Uani 1 1 d . . .
H17A H -0.0068 -0.2655 0.2708 0.080 Uiso 1 1 calc R . .
C18A C 0.0719(6) -0.2182(6) 0.3382(4) 0.072(5) Uani 1 1 d . . .
H18A H 0.0503 -0.2259 0.3601 0.087 Uiso 1 1 calc R . .
C19A C 0.1395(5) -0.1804(5) 0.3582(4) 0.045(3) Uani 1 1 d . . .
H19A H 0.1612 -0.1590 0.3943 0.054 Uiso 1 1 calc R . .
C20A C 0.1739(5) -0.1743(5) 0.3263(4) 0.045(3) Uani 1 1 d . . .
C21A C 0.0321(5) -0.2690(5) 0.1944(4) 0.044(2) Uani 1 1 d U . .
H21A H 0.0447 -0.2432 0.1789 0.053 Uiso 1 1 calc R . .
C22A C 0.0553(5) -0.3186(5) 0.1691(4) 0.063(5) Uani 1 1 d . . .
H22A H 0.1053 -0.3073 0.1755 0.095 Uiso 1 1 calc R . .
H22B H 0.0289 -0.3355 0.1320 0.095 Uiso 1 1 calc R . .
H22C H 0.0470 -0.3457 0.1834 0.095 Uiso 1 1 calc R . .
C23A C -0.0494(5) -0.2822(5) 0.1766(5) 0.072(5) Uani 1 1 d . . .
H23A H -0.0694 -0.2950 0.1391 0.108 Uiso 1 1 calc R . .
H23B H -0.0629 -0.2485 0.1933 0.108 Uiso 1 1 calc R . .
H23C H -0.0669 -0.3113 0.1861 0.108 Uiso 1 1 calc R . .
C24A C 0.2427(5) -0.1339(4) 0.3481(3) 0.032(3) Uani 1 1 d . . .
H24A H 0.2533 -0.1278 0.3194 0.039 Uiso 1 1 calc R . .
C25A C 0.2417(5) -0.0775(5) 0.3875(4) 0.050(4) Uani 1 1 d . . .
H25A H 0.1974 -0.0690 0.3744 0.075 Uiso 1 1 calc R . .
H25B H 0.2807 -0.0481 0.3928 0.075 Uiso 1 1 calc R . .
H25C H 0.2464 -0.0798 0.4204 0.075 Uiso 1 1 calc R . .
C26A C 0.3051(6) -0.1536(5) 0.3771(4) 0.072(5) Uani 1 1 d . . .
H26A H 0.3078 -0.1890 0.3531 0.108 Uiso 1 1 calc R . .
H26B H 0.2964 -0.1584 0.4062 0.108 Uiso 1 1 calc R . .
H26C H 0.3494 -0.1254 0.3899 0.108 Uiso 1 1 calc R . .
C27A C 0.0618(5) -0.2651(5) 0.0723(4) 0.046(2) Uani 1 1 d U . .
H27A H 0.0271 -0.2980 0.0471 0.056 Uiso 1 1 calc R . .
C28A C 0.0409(5) -0.2195(4) 0.0958(4) 0.041(2) Uani 1 1 d U . .
H28A H -0.0081 -0.2240 0.0873 0.049 Uiso 1 1 calc R . .
C29A C 0.0576(2) -0.1189(2) 0.1370(2) 0.036(2) Uani 1 1 d GU . .
C30A C 0.0477(3) -0.0889(3) 0.1824(2) 0.042(4) Uani 1 1 d G . .
C31A C 0.0139(4) -0.0468(3) 0.1852(3) 0.057(3) Uani 1 1 d GU . .
H31A H 0.0071 -0.0263 0.2162 0.068 Uiso 1 1 calc R . .
C32A C -0.0099(4) -0.0347(3) 0.1427(3) 0.049(2) Uani 1 1 d GU . .
H32A H -0.0329 -0.0059 0.1447 0.059 Uiso 1 1 calc R . .
C33A C 0.0000(4) -0.0647(3) 0.0974(3) 0.064(3) Uani 1 1 d GU . .
H33A H -0.0162 -0.0564 0.0684 0.077 Uiso 1 1 calc R . .
C34A C 0.0338(3) -0.1067(3) 0.0946(2) 0.044(3) Uani 1 1 d G . .
C35A C 0.0732(4) -0.1038(5) 0.2286(4) 0.045(3) Uani 1 1 d . . .
H35A H 0.0684 -0.1448 0.2150 0.054 Uiso 1 1 calc R . .
C36A C 0.1494(5) -0.0743(5) 0.2565(4) 0.057(4) Uani 1 1 d . . .
H36A H 0.1751 -0.0871 0.2333 0.086 Uiso 1 1 calc R . .
H36B H 0.1674 -0.0823 0.2866 0.086 Uiso 1 1 calc R . .
H36C H 0.1556 -0.0341 0.2676 0.086 Uiso 1 1 calc R . .
C37A C 0.0354(5) -0.0894(5) 0.2662(4) 0.054(4) Uani 1 1 d . . .
H37A H -0.0151 -0.1004 0.2472 0.081 Uiso 1 1 calc R . .
H37B H 0.0509 -0.0493 0.2876 0.081 Uiso 1 1 calc R . .
H37C H 0.0460 -0.1093 0.2883 0.081 Uiso 1 1 calc R . .
C38A C 0.0483(5) -0.1352(5) 0.0463(4) 0.053(4) Uani 1 1 d . . .
H38A H 0.0765 -0.1614 0.0523 0.063 Uiso 1 1 calc R . .
C39A C 0.0889(6) -0.0974(5) 0.0302(4) 0.061(4) Uani 1 1 d . . .
H39A H 0.1377 -0.0830 0.0539 0.092 Uiso 1 1 calc R . .
H39B H 0.0681 -0.0663 0.0311 0.092 Uiso 1 1 calc R . .
H39C H 0.0872 -0.1185 -0.0049 0.092 Uiso 1 1 calc R . .
C40A C -0.0239(5) -0.1720(6) -0.0012(4) 0.073(5) Uani 1 1 d . . .
H40A H -0.0135 -0.1948 -0.0310 0.109 Uiso 1 1 calc R . .
H40B H -0.0509 -0.1473 -0.0103 0.109 Uiso 1 1 calc R . .
H40C H -0.0512 -0.1962 0.0088 0.109 Uiso 1 1 calc R . .
C41A C 0.1473(3) -0.3080(3) 0.0471(2) 0.043(3) Uani 1 1 d GU . .
C42A C 0.1945(4) -0.3357(4) 0.0639(3) 0.063(3) Uani 1 1 d GU . .
C43A C 0.2124(5) -0.3762(4) 0.0285(4) 0.090(6) Uani 1 1 d G . .
H43A H 0.2446 -0.3952 0.0400 0.108 Uiso 1 1 calc R . .
C44A C 0.1832(5) -0.3890(4) -0.0237(3) 0.095(3) Uani 1 1 d GU . .
H44A H 0.1955 -0.4167 -0.0479 0.114 Uiso 1 1 calc R . .
C45A C 0.1361(5) -0.3613(4) -0.0406(2) 0.078(3) Uani 1 1 d GU . .
H45A H 0.1162 -0.3700 -0.0763 0.093 Uiso 1 1 calc R . .
C46A C 0.1181(4) -0.3208(3) -0.0052(2) 0.056(4) Uani 1 1 d G . .
C47A C 0.2259(5) -0.3248(5) 0.1179(4) 0.048(3) Uani 1 1 d . . .
H47A H 0.2102 -0.2933 0.1383 0.057 Uiso 1 1 calc R . .
C48A C 0.1970(6) -0.3764(6) 0.1251(4) 0.076(5) Uani 1 1 d . . .
H48A H 0.1480 -0.3933 0.1023 0.114 Uiso 1 1 calc R . .
H48B H 0.2004 -0.3653 0.1610 0.114 Uiso 1 1 calc R . .
H48C H 0.2244 -0.4033 0.1167 0.114 Uiso 1 1 calc R . .
C49A C 0.3036(5) -0.3100(5) 0.1405(5) 0.071(5) Uani 1 1 d . . .
H49A H 0.3229 -0.2733 0.1426 0.106 Uiso 1 1 calc R . .
H49B H 0.3210 -0.3378 0.1186 0.106 Uiso 1 1 calc R . .
H49C H 0.3182 -0.3092 0.1751 0.106 Uiso 1 1 calc R . .
C50A C 0.0732(6) -0.2891(6) -0.0268(4) 0.070(5) Uani 1 1 d . . .
H50A H 0.0731 -0.2556 0.0025 0.084 Uiso 1 1 calc R . .
C51A C 0.0969(6) -0.2698(6) -0.0646(4) 0.078(5) Uani 1 1 d . . .
H51A H 0.1311 -0.2333 -0.0451 0.117 Uiso 1 1 calc R . .
H51B H 0.0562 -0.2671 -0.0894 0.117 Uiso 1 1 calc R . .
H51C H 0.1184 -0.2968 -0.0831 0.117 Uiso 1 1 calc R . .
C52A C -0.0054(7) -0.3246(6) -0.0606(5) 0.103(7) Uani 1 1 d . . .
H52A H -0.0277 -0.3343 -0.0388 0.155 Uiso 1 1 calc R . .
H52B H -0.0059 -0.3586 -0.0882 0.155 Uiso 1 1 calc R . .
H52C H -0.0310 -0.3027 -0.0756 0.155 Uiso 1 1 calc R . .
Yb1B Yb 0.67371(2) 0.68122(2) 0.438247(18) 0.03431(15) Uani 1 1 d . . .
N1B N 0.6872(4) 0.7625(4) 0.4994(3) 0.043(3) Uani 1 1 d . . .
N2B N 0.5734(4) 0.6927(4) 0.3987(3) 0.038(3) Uani 1 1 d . . .
N3B N 0.7533(4) 0.6755(3) 0.4038(3) 0.033(3) Uani 1 1 d . . .
N4B N 0.6750(3) 0.5960(3) 0.4295(3) 0.036(3) Uani 1 1 d . . .
C1B C 0.6159(5) 0.7511(4) 0.4937(3) 0.033(2) Uani 1 1 d U . .
H1BA H 0.6036 0.7654 0.5233 0.039 Uiso 1 1 calc R . .
C2B C 0.5648(5) 0.7205(4) 0.4475(4) 0.041(2) Uani 1 1 d U . .
H2BA H 0.5182 0.7167 0.4468 0.049 Uiso 1 1 calc R . .
C3B C 0.5177(2) 0.6793(2) 0.35183(18) 0.040(2) Uani 1 1 d GU . .
C4B C 0.4860(3) 0.7194(2) 0.3433(2) 0.043(4) Uani 1 1 d G . .
C5B C 0.4290(3) 0.7045(3) 0.2984(3) 0.041(3) Uani 1 1 d G . .
H5BA H 0.4074 0.7320 0.2925 0.049 Uiso 1 1 calc R . .
C6B C 0.4037(3) 0.6496(4) 0.2621(2) 0.053(4) Uani 1 1 d G . .
H6BA H 0.3647 0.6394 0.2315 0.063 Uiso 1 1 calc R . .
C7B C 0.4353(3) 0.6094(3) 0.2707(2) 0.050(4) Uani 1 1 d G . .
H7BA H 0.4180 0.5719 0.2459 0.059 Uiso 1 1 calc R . .
C8B C 0.4924(3) 0.6243(2) 0.3155(2) 0.044(3) Uani 1 1 d GU . .
C9B C 0.5160(5) 0.7808(4) 0.3790(4) 0.040(3) Uani 1 1 d . . .
H9BA H 0.5609 0.7842 0.4054 0.048 Uiso 1 1 calc R . .
C10B C 0.5347(5) 0.8159(5) 0.3505(4) 0.051(4) Uani 1 1 d . . .
H10D H 0.5707 0.8503 0.3753 0.077 Uiso 1 1 calc R . .
H10E H 0.4928 0.8251 0.3337 0.077 Uiso 1 1 calc R . .
H10F H 0.5524 0.7945 0.3245 0.077 Uiso 1 1 calc R . .
C11B C 0.4710(5) 0.8060(5) 0.4084(4) 0.057(4) Uani 1 1 d . . .
H11D H 0.4752 0.7945 0.4366 0.086 Uiso 1 1 calc R . .
H11E H 0.4220 0.7932 0.3851 0.086 Uiso 1 1 calc R . .
H11F H 0.4865 0.8467 0.4225 0.086 Uiso 1 1 calc R . .
C12B C 0.5259(6) 0.5788(5) 0.3230(5) 0.066(4) Uani 1 1 d U . .
H12B H 0.5477 0.5909 0.3610 0.080 Uiso 1 1 calc R . .
C13B C 0.5869(5) 0.5763(5) 0.3020(5) 0.062(4) Uani 1 1 d . . .
H13D H 0.6233 0.6116 0.3221 0.093 Uiso 1 1 calc R . .
H13E H 0.5692 0.5701 0.2658 0.093 Uiso 1 1 calc R . .
H13F H 0.6065 0.5458 0.3051 0.093 Uiso 1 1 calc R . .
C14B C 0.4739(6) 0.5192(5) 0.3010(4) 0.062(4) Uani 1 1 d U . .
H14D H 0.4294 0.5233 0.3054 0.093 Uiso 1 1 calc R . .
H14E H 0.4945 0.4982 0.3197 0.093 Uiso 1 1 calc R . .
H14F H 0.4657 0.4993 0.2643 0.093 Uiso 1 1 calc R . .
C15B C 0.7332(2) 0.8152(2) 0.54112(18) 0.034(3) Uani 1 1 d G . .
C16B C 0.7146(3) 0.8651(3) 0.5551(2) 0.047(2) Uani 1 1 d GU . .
C17B C 0.7617(4) 0.9128(2) 0.5959(3) 0.052(4) Uani 1 1 d GU . .
H17B H 0.7490 0.9470 0.6055 0.062 Uiso 1 1 calc R . .
C18B C 0.8276(4) 0.9106(3) 0.6226(2) 0.059(4) Uani 1 1 d GU . .
H18B H 0.8598 0.9432 0.6505 0.071 Uiso 1 1 calc R . .
C19B C 0.8463(3) 0.8607(3) 0.6086(2) 0.044(4) Uani 1 1 d G . .
H19B H 0.8913 0.8591 0.6269 0.053 Uiso 1 1 calc R . .
C20B C 0.7991(3) 0.8130(3) 0.5679(2) 0.036(2) Uani 1 1 d GU . .
C21B C 0.6443(5) 0.8712(5) 0.5181(4) 0.045(3) Uani 1 1 d . . .
H21B H 0.6201 0.8347 0.4877 0.054 Uiso 1 1 calc R . .
C22B C 0.6638(5) 0.9153(4) 0.4991(4) 0.040(3) Uani 1 1 d . . .
H22D H 0.6214 0.9177 0.4756 0.060 Uiso 1 1 calc R . .
H22E H 0.6960 0.9050 0.4809 0.060 Uiso 1 1 calc R . .
H22F H 0.6865 0.9515 0.5286 0.060 Uiso 1 1 calc R . .
C23B C 0.5952(5) 0.8869(5) 0.5481(4) 0.050(4) Uani 1 1 d . . .
H23D H 0.5611 0.9024 0.5309 0.075 Uiso 1 1 calc R . .
H23E H 0.6227 0.9145 0.5833 0.075 Uiso 1 1 calc R . .
H23F H 0.5706 0.8536 0.5493 0.075 Uiso 1 1 calc R . .
C24B C 0.8236(5) 0.7591(5) 0.5531(4) 0.047(4) Uani 1 1 d . . .
H24B H 0.8016 0.7388 0.5148 0.057 Uiso 1 1 calc R . .
C25B C 0.7977(7) 0.7196(6) 0.5749(4) 0.082(5) Uani 1 1 d . . .
H25D H 0.7513 0.7225 0.5760 0.123 Uiso 1 1 calc R . .
H25E H 0.8304 0.7299 0.6098 0.123 Uiso 1 1 calc R . .
H25F H 0.7948 0.6813 0.5529 0.123 Uiso 1 1 calc R . .
C26B C 0.9032(5) 0.7709(7) 0.5658(5) 0.098(7) Uani 1 1 d . . .
H26D H 0.9140 0.7384 0.5436 0.147 Uiso 1 1 calc R . .
H26E H 0.9268 0.7784 0.6020 0.147 Uiso 1 1 calc R . .
H26F H 0.9194 0.8032 0.5597 0.147 Uiso 1 1 calc R . .
C27B C 0.7825(5) 0.6466(5) 0.4311(4) 0.042(4) Uani 1 1 d . . .
H27B H 0.8320 0.6534 0.4430 0.050 Uiso 1 1 calc R . .
C28B C 0.7464(5) 0.6095(4) 0.4423(4) 0.032(2) Uani 1 1 d U . .
H28B H 0.7723 0.5914 0.4603 0.039 Uiso 1 1 calc R . .
C29B C 0.6401(3) 0.5439(2) 0.42710(19) 0.042(4) Uani 1 1 d G . .
C30B C 0.5895(3) 0.5425(3) 0.4493(2) 0.052(4) Uani 1 1 d G . .
C31B C 0.5610(4) 0.4937(3) 0.4517(3) 0.056(3) Uani 1 1 d GU . .
H31C H 0.5264 0.4928 0.4669 0.067 Uiso 1 1 calc R . .
C32B C 0.5831(4) 0.4463(3) 0.4319(3) 0.065(5) Uani 1 1 d G . .
H32B H 0.5637 0.4130 0.4335 0.078 Uiso 1 1 calc R . .
C33B C 0.6337(4) 0.4477(3) 0.4097(3) 0.062(3) Uani 1 1 d GU . .
H33B H 0.6489 0.4154 0.3962 0.075 Uiso 1 1 calc R . .
C34B C 0.6622(3) 0.4965(3) 0.4073(2) 0.051(4) Uani 1 1 d G . .
C35B C 0.5634(5) 0.5956(4) 0.4720(4) 0.039(2) Uani 1 1 d U . .
H35B H 0.5766 0.6217 0.4571 0.047 Uiso 1 1 calc R . .
C36B C 0.6026(6) 0.6225(5) 0.5273(4) 0.062(4) Uani 1 1 d . . .
H36D H 0.6528 0.6297 0.5336 0.093 Uiso 1 1 calc R . .
H36E H 0.5903 0.5981 0.5432 0.093 Uiso 1 1 calc R . .
H36F H 0.5911 0.6577 0.5423 0.093 Uiso 1 1 calc R . .
C37B C 0.4849(5) 0.5841(5) 0.4594(5) 0.085(5) Uani 1 1 d . . .
H37D H 0.4607 0.5616 0.4223 0.128 Uiso 1 1 calc R . .
H37E H 0.4719 0.6194 0.4691 0.128 Uiso 1 1 calc R . .
H37F H 0.4714 0.5640 0.4785 0.128 Uiso 1 1 calc R . .
C38B C 0.7059(5) 0.4901(5) 0.3760(4) 0.046(4) Uani 1 1 d . . .
H38B H 0.7216 0.5268 0.3751 0.055 Uiso 1 1 calc R . .
C39B C 0.7729(6) 0.4710(6) 0.3966(4) 0.075(5) Uani 1 1 d . . .
H39D H 0.7940 0.4913 0.4342 0.112 Uiso 1 1 calc R . .
H39E H 0.8068 0.4789 0.3811 0.112 Uiso 1 1 calc R . .
H39F H 0.7596 0.4310 0.3873 0.112 Uiso 1 1 calc R . .
C40B C 0.6685(6) 0.4458(6) 0.3196(4) 0.071(3) Uani 1 1 d U . .
H40D H 0.6259 0.4547 0.3034 0.106 Uiso 1 1 calc R . .
H40E H 0.6562 0.4090 0.3194 0.106 Uiso 1 1 calc R . .
H40F H 0.6998 0.4458 0.3003 0.106 Uiso 1 1 calc R . .
C41B C 0.7958(2) 0.6955(2) 0.38015(19) 0.044(4) Uani 1 1 d G . .
C42B C 0.8190(3) 0.6589(3) 0.3455(2) 0.050(3) Uani 1 1 d GU . .
C43B C 0.8661(4) 0.6794(4) 0.3270(2) 0.058(3) Uani 1 1 d GU . .
H43B H 0.8820 0.6543 0.3033 0.070 Uiso 1 1 calc R . .
C44B C 0.8900(3) 0.7364(4) 0.3430(3) 0.063(4) Uani 1 1 d GU . .
H44B H 0.9223 0.7503 0.3303 0.075 Uiso 1 1 calc R . .
C45B C 0.8668(3) 0.7729(3) 0.3776(3) 0.067(4) Uani 1 1 d GU . .
H45B H 0.8832 0.8119 0.3886 0.081 Uiso 1 1 calc R . .
C46B C 0.8197(3) 0.7525(2) 0.3962(2) 0.033(3) Uani 1 1 d G . .
C47B C 0.7877(6) 0.5980(6) 0.3240(5) 0.080(4) Uani 1 1 d U . .
H47B H 0.7556 0.5922 0.3423 0.096 Uiso 1 1 calc R . .
C48B C 0.7438(6) 0.5692(6) 0.2654(5) 0.080(4) Uani 1 1 d U . .
H48D H 0.7039 0.5849 0.2581 0.119 Uiso 1 1 calc R . .
H48E H 0.7267 0.5292 0.2550 0.119 Uiso 1 1 calc R . .
H48F H 0.7730 0.5752 0.2460 0.119 Uiso 1 1 calc R . .
C49B C 0.8414(6) 0.5648(6) 0.3326(5) 0.091(3) Uani 1 1 d U . .
H49D H 0.8804 0.5875 0.3651 0.137 Uiso 1 1 calc R . .
H49E H 0.8589 0.5547 0.3041 0.137 Uiso 1 1 calc R . .
H49F H 0.8191 0.5310 0.3341 0.137 Uiso 1 1 calc R . .
C50B C 0.7923(4) 0.7943(4) 0.4310(4) 0.032(2) Uani 1 1 d U . .
H50B H 0.7834 0.7789 0.4554 0.038 Uiso 1 1 calc R . .
C51B C 0.8403(5) 0.8528(5) 0.4643(4) 0.052(3) Uani 1 1 d U . .
H51D H 0.8861 0.8507 0.4837 0.078 Uiso 1 1 calc R . .
H51E H 0.8197 0.8739 0.4884 0.078 Uiso 1 1 calc R . .
H51F H 0.8459 0.8716 0.4422 0.078 Uiso 1 1 calc R . .
C52B C 0.7201(5) 0.7962(5) 0.3982(4) 0.048(4) Uani 1 1 d U . .
H52D H 0.7029 0.8240 0.4201 0.072 Uiso 1 1 calc R . .
H52E H 0.6869 0.7596 0.3832 0.072 Uiso 1 1 calc R . .
H52F H 0.7251 0.8062 0.3705 0.072 Uiso 1 1 calc R . .
Yb1C Yb -0.23137(2) 0.14078(2) 0.33608(2) 0.05050(18) Uani 1 1 d . . .
N1C N -0.1346(4) 0.2056(4) 0.3784(3) 0.054(2) Uani 1 1 d U . .
N2C N -0.2335(4) 0.1668(4) 0.2727(4) 0.069(4) Uani 1 1 d . . .
N3C N -0.2358(4) 0.0608(4) 0.3436(3) 0.042(3) Uani 1 1 d . . .
N4C N -0.3140(4) 0.1478(4) 0.3675(3) 0.055(2) Uani 1 1 d U . .
C1C C -0.1156(6) 0.1936(5) 0.3348(4) 0.051(2) Uani 1 1 d U . .
H1CA H -0.0674 0.1988 0.3396 0.062 Uiso 1 1 calc R . .
C2C C -0.1617(5) 0.1753(5) 0.2868(4) 0.051(2) Uani 1 1 d . . .
H2CA H -0.1434 0.1673 0.2598 0.062 Uiso 1 1 calc R . .
C3C C -0.2736(3) 0.1669(3) 0.2261(2) 0.081(4) Uani 1 1 d GU . .
C4C C -0.3314(3) 0.1221(3) 0.1930(3) 0.075(3) Uani 1 1 d GU . .
C5C C -0.3724(3) 0.1207(4) 0.1464(3) 0.057(3) Uani 1 1 d GU . .
H5CA H -0.4119 0.0900 0.1238 0.068 Uiso 1 1 calc R . .
C6C C -0.3555(4) 0.1640(5) 0.1328(3) 0.077(3) Uani 1 1 d GU . .
H6CA H -0.3835 0.1630 0.1010 0.092 Uiso 1 1 calc R . .
C7C C -0.2977(5) 0.2088(4) 0.1659(4) 0.095(6) Uani 1 1 d G . .
H7CA H -0.2862 0.2384 0.1566 0.114 Uiso 1 1 calc R . .
C8C C -0.2568(4) 0.2103(3) 0.2125(3) 0.096(3) Uani 1 1 d GU . .
C9C C -0.3552(6) 0.0724(6) 0.2050(5) 0.075(3) Uani 1 1 d U . .
H9CA H -0.3179 0.0786 0.2378 0.090 Uiso 1 1 calc R . .
C10C C -0.3582(8) 0.0173(7) 0.1676(6) 0.124(3) Uani 1 1 d U . .
H10G H -0.3896 -0.0115 0.1702 0.186 Uiso 1 1 calc R . .
H10H H -0.3112 0.0114 0.1750 0.186 Uiso 1 1 calc R . .
H10I H -0.3757 0.0155 0.1326 0.186 Uiso 1 1 calc R . .
C11C C -0.4228(6) 0.0746(6) 0.2179(5) 0.091(3) Uani 1 1 d U . .
H11G H -0.4249 0.0551 0.2399 0.137 Uiso 1 1 calc R . .
H11H H -0.4638 0.0567 0.1859 0.137 Uiso 1 1 calc R . .
H11I H -0.4223 0.1135 0.2360 0.137 Uiso 1 1 calc R . .
C12C C -0.2004(8) 0.2632(7) 0.2488(6) 0.115(2) Uani 1 1 d U . .
H12C H -0.1808 0.2610 0.2826 0.138 Uiso 1 1 calc R . .
C13C C -0.2256(8) 0.3143(7) 0.2583(6) 0.115(2) Uani 1 1 d U . .
H13G H -0.2630 0.3115 0.2721 0.173 Uiso 1 1 calc R . .
H13H H -0.2435 0.3181 0.2258 0.173 Uiso 1 1 calc R . .
H13I H -0.1868 0.3468 0.2832 0.173 Uiso 1 1 calc R . .
C14C C -0.1423(9) 0.2678(7) 0.2284(7) 0.159(6) Uani 1 1 d U . .
H14G H -0.1252 0.2344 0.2226 0.238 Uiso 1 1 calc R . .
H14H H -0.1040 0.3006 0.2535 0.238 Uiso 1 1 calc R . .
H14I H -0.1598 0.2715 0.1958 0.238 Uiso 1 1 calc R . .
C15C C -0.0849(3) 0.2427(3) 0.4278(2) 0.058(4) Uani 1 1 d G . .
C16C C -0.0631(4) 0.2274(3) 0.4684(3) 0.073(2) Uani 1 1 d GU . .
C17C C -0.0117(4) 0.2650(4) 0.5149(3) 0.082(5) Uani 1 1 d GU . .
H17C H 0.0032 0.2545 0.5426 0.098 Uiso 1 1 calc R . .
C18C C 0.0178(3) 0.3179(4) 0.5206(3) 0.060(3) Uani 1 1 d GU . .
H18C H 0.0529 0.3435 0.5523 0.073 Uiso 1 1 calc R . .
C19C C -0.0040(4) 0.3331(3) 0.4800(3) 0.081(3) Uani 1 1 d GU . .
H19C H 0.0162 0.3693 0.4839 0.097 Uiso 1 1 calc R . .
C20C C -0.0554(3) 0.2956(3) 0.4335(3) 0.065(2) Uani 1 1 d GU . .
C21C C -0.0941(7) 0.1698(6) 0.4642(5) 0.0965(19) Uani 1 1 d DU . .
H21C H -0.1447 0.1563 0.4417 0.116 Uiso 1 1 calc R . .
C22C C -0.0549(7) 0.1266(7) 0.4427(5) 0.122(3) Uani 1 1 d DU . .
H22G H -0.0544 0.1250 0.4094 0.182 Uiso 1 1 calc R . .
H22H H -0.0789 0.0898 0.4381 0.182 Uiso 1 1 calc R . .
H22I H -0.0068 0.1376 0.4670 0.182 Uiso 1 1 calc R . .
C23C C -0.0851(8) 0.1653(7) 0.5205(5) 0.132(3) Uani 1 1 d DU . .
H23G H -0.0749 0.2026 0.5477 0.199 Uiso 1 1 calc R . .
H23H H -0.0466 0.1487 0.5293 0.199 Uiso 1 1 calc R . .
H23I H -0.1285 0.1421 0.5173 0.199 Uiso 1 1 calc R . .
C24C C -0.0803(6) 0.3163(6) 0.3928(5) 0.0777(7) Uani 1 1 d U . .
H24C H -0.1238 0.2882 0.3653 0.093 Uiso 1 1 calc R . .
C25C C -0.0978(7) 0.3734(6) 0.4132(5) 0.100(3) Uani 1 1 d U . .
H25G H -0.1487 0.3677 0.4011 0.149 Uiso 1 1 calc R . .
H25H H -0.0770 0.3980 0.4004 0.149 Uiso 1 1 calc R . .
H25I H -0.0788 0.3905 0.4510 0.149 Uiso 1 1 calc R . .
C26C C -0.0250(7) 0.3219(6) 0.3680(5) 0.093(3) Uani 1 1 d U . .
H26G H -0.0073 0.2887 0.3605 0.139 Uiso 1 1 calc R . .
H26H H 0.0138 0.3548 0.3918 0.139 Uiso 1 1 calc R . .
H26I H -0.0463 0.3257 0.3359 0.139 Uiso 1 1 calc R . .
C27C C -0.3097(5) 0.0498(5) 0.3306(4) 0.045(4) Uani 1 1 d . . .
H27C H -0.3364 0.0121 0.3118 0.054 Uiso 1 1 calc R . .
C28C C -0.3452(5) 0.0894(5) 0.3432(4) 0.044(2) Uani 1 1 d U . .
H28C H -0.3941 0.0771 0.3350 0.053 Uiso 1 1 calc R . .
C29C C -0.3521(3) 0.1818(3) 0.3940(2) 0.0522(19) Uani 1 1 d GU . .
C30C C -0.3785(4) 0.1711(3) 0.4286(3) 0.074(4) Uani 1 1 d GU . .
C31C C -0.4163(4) 0.2050(5) 0.4512(3) 0.088(3) Uani 1 1 d GU . .
H31D H -0.4343 0.1977 0.4748 0.105 Uiso 1 1 calc R . .
C32C C -0.4277(5) 0.2495(4) 0.4391(4) 0.094(3) Uani 1 1 d GU . .
H32C H -0.4536 0.2726 0.4545 0.113 Uiso 1 1 calc R . .
C33C C -0.4014(5) 0.2602(4) 0.4045(4) 0.090(3) Uani 1 1 d GU . .
H33C H -0.4092 0.2906 0.3962 0.108 Uiso 1 1 calc R . .
C34C C -0.3635(4) 0.2264(3) 0.3819(3) 0.074(2) Uani 1 1 d GU . .
C35C C -0.3597(8) 0.1272(8) 0.4462(6) 0.1196(7) Uani 1 1 d U . .
H35C H -0.3520 0.0981 0.4172 0.143 Uiso 1 1 calc R . .
C36C C -0.2878(8) 0.1521(7) 0.4940(5) 0.110(2) Uani 1 1 d U . .
H36G H -0.2724 0.1218 0.5013 0.166 Uiso 1 1 calc R . .
H36H H -0.2946 0.1781 0.5242 0.166 Uiso 1 1 calc R . .
H36I H -0.2523 0.1718 0.4859 0.166 Uiso 1 1 calc R . .
C37C C -0.3991(8) 0.0935(7) 0.4741(6) 0.1196(7) Uani 1 1 d U . .
H37G H -0.4471 0.0727 0.4506 0.179 Uiso 1 1 calc R . .
H37H H -0.4001 0.1208 0.5062 0.179 Uiso 1 1 calc R . .
H37I H -0.3729 0.0677 0.4816 0.179 Uiso 1 1 calc R . .
C38C C -0.3426(8) 0.2338(7) 0.3407(6) 0.1113(18) Uani 1 1 d U . .
H38C H -0.3317 0.1993 0.3203 0.134 Uiso 1 1 calc R . .
C39C C -0.3930(8) 0.2491(7) 0.3060(6) 0.123(3) Uani 1 1 d U . .
H39G H -0.3797 0.2895 0.3172 0.184 Uiso 1 1 calc R . .
H39H H -0.4397 0.2376 0.3066 0.184 Uiso 1 1 calc R . .
H39I H -0.3935 0.2306 0.2709 0.184 Uiso 1 1 calc R . .
C40C C -0.2803(7) 0.2793(6) 0.36672(15) 0.1113(18) Uani 1 1 d DU . .
H40G H -0.2689 0.2934 0.4040 0.167 Uiso 1 1 calc R . .
H40H H -0.2881 0.3091 0.3557 0.167 Uiso 1 1 calc R . .
H40I H -0.2414 0.2663 0.3581 0.167 Uiso 1 1 calc R . .
C41C C -0.2024(3) 0.0207(2) 0.3486(2) 0.043(4) Uani 1 1 d G . .
C42C C -0.2217(3) -0.0102(3) 0.3738(3) 0.058(4) Uani 1 1 d G . .
C43C C -0.1931(4) -0.0541(3) 0.3750(3) 0.057(3) Uani 1 1 d GU . .
H43C H -0.2063 -0.0753 0.3923 0.068 Uiso 1 1 calc R . .
C44C C -0.1451(4) -0.0672(3) 0.3510(3) 0.069(3) Uani 1 1 d GU . .
H44C H -0.1255 -0.0972 0.3519 0.082 Uiso 1 1 calc R . .
C45C C -0.1258(4) -0.0363(3) 0.3258(3) 0.053(3) Uani 1 1 d GU . .
H45D H -0.0930 -0.0451 0.3094 0.064 Uiso 1 1 calc R . .
C46C C -0.1544(3) 0.0077(3) 0.3246(3) 0.061(4) Uani 1 1 d G . .
C47C C -0.2647(6) 0.0019(6) 0.4069(4) 0.067(2) Uani 1 1 d U . .
H47C H -0.2741 0.0382 0.4088 0.081 Uiso 1 1 calc R . .
C48C C -0.2237(8) 0.0131(7) 0.4665(5) 0.110(2) Uani 1 1 d U . .
H48G H -0.1740 0.0307 0.4767 0.166 Uiso 1 1 calc R . .
H48H H -0.2289 -0.0223 0.4698 0.166 Uiso 1 1 calc R . .
H48I H -0.2436 0.0377 0.4889 0.166 Uiso 1 1 calc R . .
C49C C -0.3376(6) -0.0388(5) 0.3854(4) 0.069(4) Uani 1 1 d . . .
H49G H -0.3655 -0.0384 0.3530 0.104 Uiso 1 1 calc R . .
H49H H -0.3610 -0.0275 0.4103 0.104 Uiso 1 1 calc R . .
H49I H -0.3326 -0.0765 0.3792 0.104 Uiso 1 1 calc R . .
C50C C -0.1279(6) 0.0434(5) 0.3021(4) 0.061(2) Uani 1 1 d U . .
H50C H -0.1375 0.0799 0.3191 0.074 Uiso 1 1 calc R . .
C51C C -0.1696(7) 0.0236(6) 0.2454(5) 0.089(3) Uani 1 1 d U . .
H51G H -0.1582 0.0529 0.2342 0.133 Uiso 1 1 calc R . .
H51H H -0.2197 0.0147 0.2396 0.133 Uiso 1 1 calc R . .
H51I H -0.1579 -0.0098 0.2256 0.133 Uiso 1 1 calc R . .
C52C C -0.0517(6) 0.0578(6) 0.3091(5) 0.087(3) Uani 1 1 d U . .
H52G H -0.0457 0.0737 0.2851 0.130 Uiso 1 1 calc R . .
H52H H -0.0351 0.0241 0.3022 0.130 Uiso 1 1 calc R . .
H52I H -0.0247 0.0850 0.3446 0.130 Uiso 1 1 calc R . .
Yb1D Yb 0.62588(3) 0.75248(2) 0.165817(19) 0.04644(17) Uani 1 1 d U . .
O1D O 0.7238(5) 0.7470(4) 0.2291(3) 0.099(4) Uani 1 1 d . . .
O2D O 0.5892(5) 0.6880(4) 0.2007(3) 0.0911(18) Uani 1 1 d U . .
O3D O 0.6774(4) 0.8532(3) 0.2188(3) 0.061(3) Uani 1 1 d . . .
O4D O 0.5475(4) 0.7976(4) 0.2097(3) 0.080(3) Uani 1 1 d . . .
N1D N 0.6516(5) 0.7641(5) 0.0953(4) 0.0714(14) Uani 1 1 d U . .
N2D N 0.6036(5) 0.6778(5) 0.0867(4) 0.082(2) Uani 1 1 d U . .
C1D C 0.6247(7) 0.7138(6) 0.0629(5) 0.078(2) Uani 1 1 d U . .
C2D C 0.55974(18) 0.62593(18) 0.0670(2) 0.0962(5) Uani 1 1 d GU . .
C3D C 0.59030(18) 0.5888(2) 0.0825(3) 0.0985(4) Uani 1 1 d GDU . .
C4D C 0.5488(2) 0.5382(2) 0.0736(2) 0.0986(6) Uani 1 1 d GDU . .
H4DA H 0.5697 0.5128 0.0843 0.118 Uiso 1 1 calc R . .
C5D C 0.4767(2) 0.5248(2) 0.0491(3) 0.0971(6) Uani 1 1 d GU . .
H5DA H 0.4484 0.4903 0.0431 0.117 Uiso 1 1 calc R . .
C6D C 0.44617(17) 0.5620(3) 0.0336(3) 0.0962(7) Uani 1 1 d GDU . .
H6DA H 0.3969 0.5528 0.0168 0.115 Uiso 1 1 calc R . .
C7D C 0.48767(19) 0.6125(2) 0.0425(3) 0.110(2) Uani 1 1 d GDU . .
C8D C 0.66810(16) 0.6026(2) 0.10951(16) 0.1160(13) Uani 1 1 d DU . .
H8DA H 0.6807 0.6427 0.1337 0.139 Uiso 1 1 calc R . .
C9D C 0.7211(3) 0.5999(8) 0.0822(3) 0.1426(6) Uani 1 1 d DU . .
H9DA H 0.7140 0.5612 0.0586 0.214 Uiso 1 1 calc R . .
H9DB H 0.7687 0.6140 0.1078 0.214 Uiso 1 1 calc R . .
H9DC H 0.7145 0.6227 0.0626 0.214 Uiso 1 1 calc R . .
C10D C 0.6917(3) 0.5737(3) 0.1453(3) 0.1160(13) Uani 1 1 d DU . .
H10J H 0.6690 0.5822 0.1708 0.174 Uiso 1 1 calc R . .
H10K H 0.7426 0.5871 0.1629 0.174 Uiso 1 1 calc R . .
H10L H 0.6787 0.5334 0.1249 0.174 Uiso 1 1 calc R . .
C11D C 0.4451(3) 0.6474(2) 0.02348(14) 0.1419(17) Uani 1 1 d DU . .
H11J H 0.4785 0.6729 0.0176 0.170 Uiso 1 1 calc R . .
C12D C 0.4328(5) 0.6851(5) 0.0717(3) 0.1419(17) Uani 1 1 d DU . .
H12D H 0.4767 0.7001 0.1014 0.213 Uiso 1 1 calc R . .
H12E H 0.3975 0.6633 0.0784 0.213 Uiso 1 1 calc R . .
H12F H 0.4164 0.7158 0.0659 0.213 Uiso 1 1 calc R . .
C13D C 0.3866(5) 0.6141(6) -0.0296(3) 0.1426(6) Uani 1 1 d DU . .
H13J H 0.4065 0.5937 -0.0545 0.214 Uiso 1 1 calc R . .
H13K H 0.3643 0.6397 -0.0412 0.214 Uiso 1 1 calc R . .
H13L H 0.3516 0.5877 -0.0269 0.214 Uiso 1 1 calc R . .
C14D C 0.6167(7) 0.6863(7) 0.0052(6) 0.099(3) Uani 1 1 d U . .
C15D C 0.6908(7) 0.6973(7) 0.0041(6) 0.110(3) Uani 1 1 d U . .
H15A H 0.7147 0.7369 0.0244 0.165 Uiso 1 1 calc R . .
H15B H 0.6882 0.6866 -0.0315 0.165 Uiso 1 1 calc R . .
H15C H 0.7168 0.6753 0.0188 0.165 Uiso 1 1 calc R . .
C16D C 0.5869(8) 0.6201(7) -0.0248(6) 0.108(3) Uani 1 1 d U . .
H16A H 0.6112 0.6025 -0.0037 0.163 Uiso 1 1 calc R . .
H16B H 0.5946 0.6074 -0.0576 0.163 Uiso 1 1 calc R . .
H16C H 0.5367 0.6097 -0.0314 0.163 Uiso 1 1 calc R . .
C17D C 0.5722(7) 0.7106(7) -0.0306(6) 0.109(7) Uani 1 1 d . . .
H17D H 0.5979 0.7486 -0.0216 0.164 Uiso 1 1 calc R . .
H17E H 0.5273 0.7111 -0.0257 0.164 Uiso 1 1 calc R . .
H17F H 0.5638 0.6872 -0.0667 0.164 Uiso 1 1 calc R . .
C18D C 0.6681(4) 0.8088(3) 0.0822(2) 0.0962(5) Uani 1 1 d GU . .
C19D C 0.7382(4) 0.8330(4) 0.0942(3) 0.0971(6) Uani 1 1 d GU . .
C20D C 0.7576(4) 0.8829(4) 0.0906(4) 0.0910(5) Uani 1 1 d GU . .
H20A H 0.8054 0.8994 0.0988 0.109 Uiso 1 1 calc R . .
C21D C 0.7069(6) 0.9086(4) 0.0750(4) 0.0910(5) Uani 1 1 d GU . .
H21D H 0.7201 0.9427 0.0725 0.109 Uiso 1 1 calc R . .
C22D C 0.6368(5) 0.8844(4) 0.0630(4) 0.0962(7) Uani 1 1 d GU . .
H22J H 0.6021 0.9020 0.0523 0.115 Uiso 1 1 calc R . .
C23D C 0.6174(4) 0.8345(4) 0.0666(3) 0.0985(4) Uani 1 1 d GU . .
C24D C 0.7994(6) 0.8100(6) 0.1156(5) 0.070(4) Uani 1 1 d U . .
H24D H 0.7787 0.7725 0.1130 0.084 Uiso 1 1 calc R . .
C25D C 0.8456(6) 0.8028(6) 0.0845(5) 0.094(3) Uani 1 1 d U . .
H25J H 0.8177 0.7780 0.0484 0.141 Uiso 1 1 calc R . .
H25K H 0.8823 0.7866 0.0978 0.141 Uiso 1 1 calc R . .
H25L H 0.8671 0.8390 0.0867 0.141 Uiso 1 1 calc R . .
C26D C 0.8367(7) 0.8470(6) 0.1710(5) 0.101(3) Uani 1 1 d U . .
H26J H 0.8072 0.8702 0.1836 0.151 Uiso 1 1 calc R . .
H26K H 0.8805 0.8709 0.1754 0.151 Uiso 1 1 calc R . .
H26L H 0.8470 0.8245 0.1905 0.151 Uiso 1 1 calc R . .
C27D C 0.5399(6) 0.8084(6) 0.0560(4) 0.072(2) Uani 1 1 d U . .
H27D H 0.5307 0.7677 0.0470 0.087 Uiso 1 1 calc R . .
C28D C 0.5301(6) 0.8418(6) 0.1095(4) 0.076(5) Uani 1 1 d . . .
H28D H 0.4802 0.8342 0.1044 0.115 Uiso 1 1 calc R . .
H28E H 0.5494 0.8818 0.1212 0.115 Uiso 1 1 calc R . .
H28F H 0.5548 0.8298 0.1355 0.115 Uiso 1 1 calc R . .
C29D C 0.4869(7) 0.8207(6) 0.0148(5) 0.098(3) Uani 1 1 d U . .
H29A H 0.5038 0.8171 -0.0135 0.147 Uiso 1 1 calc R . .
H29B H 0.4825 0.8585 0.0306 0.147 Uiso 1 1 calc R . .
H29C H 0.4412 0.7940 0.0014 0.147 Uiso 1 1 calc R . .
C30D C 0.7919(8) 0.7636(7) 0.2371(6) 0.117(3) Uani 1 1 d U . .
H30A H 0.8194 0.7510 0.2616 0.176 Uiso 1 1 calc R . .
H30B H 0.8066 0.8043 0.2512 0.176 Uiso 1 1 calc R . .
H30C H 0.7993 0.7477 0.2044 0.176 Uiso 1 1 calc R . .
C31D C 0.7081(7) 0.7148(7) 0.2594(6) 0.100(3) Uani 1 1 d U . .
H31E H 0.7247 0.6807 0.2505 0.120 Uiso 1 1 calc R . .
H31F H 0.7311 0.7378 0.2969 0.120 Uiso 1 1 calc R . .
C32D C 0.6294(7) 0.7003(7) 0.2440(5) 0.0962(5) Uani 1 1 d U . .
H32D H 0.6166 0.6688 0.2528 0.115 Uiso 1 1 calc R . .
H32I H 0.6184 0.7323 0.2673 0.115 Uiso 1 1 calc R . .
C33D C 0.5228(8) 0.6632(8) 0.1953(6) 0.134(3) Uani 1 1 d U . .
H33D H 0.5247 0.6338 0.2076 0.201 Uiso 1 1 calc R . .
H33E H 0.4925 0.6472 0.1589 0.201 Uiso 1 1 calc R . .
H33F H 0.5039 0.6911 0.2156 0.201 Uiso 1 1 calc R . .
C34D C 0.6975(8) 0.9009(6) 0.2102(5) 0.098(6) Uani 1 1 d . . .
H34A H 0.7412 0.9256 0.2381 0.147 Uiso 1 1 calc R . .
H34B H 0.6607 0.9205 0.2095 0.147 Uiso 1 1 calc R . .
H34C H 0.7046 0.8895 0.1772 0.147 Uiso 1 1 calc R . .
C35D C 0.6594(6) 0.8642(6) 0.2625(4) 0.072(5) Uani 1 1 d . . .
H35D H 0.6836 0.9031 0.2877 0.086 Uiso 1 1 calc R . .
H35I H 0.6755 0.8394 0.2788 0.086 Uiso 1 1 calc R . .
C36D C 0.5835(6) 0.8557(6) 0.2498(5) 0.080(3) Uani 1 1 d . . .
H36J H 0.5677 0.8828 0.2367 0.097 Uiso 1 1 calc R . .
H36K H 0.5720 0.8613 0.2811 0.097 Uiso 1 1 calc R . .
C37D C 0.4737(6) 0.7874(6) 0.1985(5) 0.098(6) Uani 1 1 d . . .
H37J H 0.4587 0.8202 0.1968 0.147 Uiso 1 1 calc R . .
H37K H 0.4626 0.7798 0.2257 0.147 Uiso 1 1 calc R . .
H37L H 0.4491 0.7553 0.1653 0.147 Uiso 1 1 calc R . .
Yb1E Yb -0.17483(3) 0.41469(2) 0.64440(2) 0.05182(17) Uani 1 1 d U . .
O1E O -0.2248(4) 0.3915(4) 0.5499(3) 0.0707(5) Uani 1 1 d U . .
O2E O -0.1241(4) 0.3481(4) 0.5970(3) 0.0707(5) Uani 1 1 d U . .
O3E O -0.2905(4) 0.3507(4) 0.6140(3) 0.0774(14) Uani 1 1 d U . .
O4E O -0.1760(4) 0.3449(4) 0.6834(3) 0.0774(14) Uani 1 1 d U . .
N1E N -0.1281(4) 0.5109(4) 0.6600(3) 0.042(3) Uani 1 1 d . . .
N2E N -0.1045(4) 0.4860(4) 0.7281(4) 0.064(3) Uani 1 1 d . . .
C1E C -0.0970(5) 0.5285(5) 0.7108(4) 0.047(4) Uani 1 1 d . . .
C2E C -0.0885(4) 0.4923(3) 0.7778(2) 0.052(2) Uani 1 1 d GU . .
C3E C -0.0294(4) 0.4802(4) 0.8034(3) 0.077(2) Uani 1 1 d GU . .
C4E C -0.0204(5) 0.4795(5) 0.8512(3) 0.088(3) Uani 1 1 d GU . .
H4EA H 0.0200 0.4712 0.8687 0.105 Uiso 1 1 calc R . .
C5E C -0.0705(6) 0.4910(5) 0.8734(3) 0.092(3) Uani 1 1 d GU . .
H5EA H -0.0643 0.4906 0.9061 0.110 Uiso 1 1 calc R . .
C6E C -0.1295(5) 0.5031(5) 0.8478(4) 0.089(3) Uani 1 1 d GU . .
H6EA H -0.1638 0.5110 0.8630 0.107 Uiso 1 1 calc R . .
C7E C -0.1385(4) 0.5038(4) 0.8000(3) 0.098(4) Uani 1 1 d GU . .
C8E C 0.0259(6) 0.4690(6) 0.7814(5) 0.090(5) Uani 1 1 d U . .
H8EA H 0.0174 0.4814 0.7528 0.108 Uiso 1 1 calc R . .
C9E C 0.1039(7) 0.5006(7) 0.8196(6) 0.111(3) Uani 1 1 d U . .
H9EA H 0.1362 0.4895 0.8017 0.167 Uiso 1 1 calc R . .
H9EB H 0.1138 0.4910 0.8492 0.167 Uiso 1 1 calc R . .
H9EC H 0.1100 0.5408 0.8316 0.167 Uiso 1 1 calc R . .
C10E C 0.0173(8) 0.4065(7) 0.7571(6) 0.130(3) Uani 1 1 d U . .
H10M H -0.0307 0.3878 0.7325 0.195 Uiso 1 1 calc R . .
H10N H 0.0268 0.3927 0.7840 0.195 Uiso 1 1 calc R . .
H10O H 0.0501 0.3987 0.7390 0.195 Uiso 1 1 calc R . .
C11E C -0.2059(8) 0.5093(7) 0.7740(6) 0.111(3) Uani 1 1 d U . .
H11K H -0.1993 0.5240 0.7486 0.134 Uiso 1 1 calc R . .
C12E C -0.2628(7) 0.4555(7) 0.7432(5) 0.098(4) Uani 1 1 d U . .
H12G H -0.3019 0.4609 0.7193 0.147 Uiso 1 1 calc R . .
H12H H -0.2791 0.4438 0.7666 0.147 Uiso 1 1 calc R . .
H12I H -0.2442 0.4268 0.7236 0.147 Uiso 1 1 calc R . .
C13E C -0.2339(8) 0.5522(8) 0.8098(6) 0.138(3) Uani 1 1 d U . .
H13M H -0.2711 0.5623 0.7889 0.207 Uiso 1 1 calc R . .
H13N H -0.1957 0.5855 0.8336 0.207 Uiso 1 1 calc R . .
H13O H -0.2525 0.5356 0.8296 0.207 Uiso 1 1 calc R . .
C14E C -0.0581(7) 0.5895(6) 0.7461(5) 0.074(4) Uani 1 1 d U . .
C15E C -0.0528(6) 0.6298(5) 0.7199(4) 0.068(4) Uani 1 1 d U . .
H15D H -0.0210 0.6215 0.7010 0.102 Uiso 1 1 calc R . .
H15E H -0.0347 0.6682 0.7463 0.102 Uiso 1 1 calc R . .
H15F H -0.0992 0.6251 0.6960 0.102 Uiso 1 1 calc R . .
C16E C -0.0973(7) 0.6206(7) 0.7860(5) 0.115(6) Uani 1 1 d . . .
H16D H -0.1454 0.6179 0.7660 0.173 Uiso 1 1 calc R . .
H16E H -0.0716 0.6599 0.8063 0.173 Uiso 1 1 calc R . .
H16F H -0.0980 0.6024 0.8093 0.173 Uiso 1 1 calc R . .
C17E C 0.0152(6) 0.5978(6) 0.7874(5) 0.083(3) Uani 1 1 d U . .
H17G H 0.0472 0.5850 0.7698 0.125 Uiso 1 1 calc R . .
H17H H 0.0088 0.5763 0.8072 0.125 Uiso 1 1 calc R . .
H17I H 0.0349 0.6373 0.8109 0.125 Uiso 1 1 calc R . .
C18E C -0.1293(3) 0.5328(3) 0.6239(2) 0.0483(17) Uani 1 1 d GU . .
C19E C -0.0856(4) 0.5217(3) 0.5957(3) 0.056(2) Uani 1 1 d GU . .
C20E C -0.0939(5) 0.5364(4) 0.5545(3) 0.083(3) Uani 1 1 d GU . .
H20B H -0.0641 0.5288 0.5353 0.100 Uiso 1 1 calc R . .
C21E C -0.1459(6) 0.5622(4) 0.5416(3) 0.091(4) Uani 1 1 d GU . .
H21E H -0.1515 0.5723 0.5135 0.109 Uiso 1 1 calc R . .
C22E C -0.1895(5) 0.5733(4) 0.5698(3) 0.082(3) Uani 1 1 d GU . .
H22K H -0.2250 0.5910 0.5610 0.099 Uiso 1 1 calc R . .
C23E C -0.1812(4) 0.5586(3) 0.6110(3) 0.068(2) Uani 1 1 d GU . .
C24E C -0.0304(6) 0.4874(6) 0.6055(5) 0.081(2) Uani 1 1 d U . .
H24E H -0.0513 0.4570 0.6134 0.097 Uiso 1 1 calc R . .
C25E C 0.0264(7) 0.5227(6) 0.6475(5) 0.101(3) Uani 1 1 d U . .
H25M H 0.0581 0.5016 0.6581 0.151 Uiso 1 1 calc R . .
H25N H 0.0111 0.5422 0.6758 0.151 Uiso 1 1 calc R . .
H25O H 0.0508 0.5499 0.6388 0.151 Uiso 1 1 calc R . .
C26E C -0.0117(6) 0.4618(6) 0.5585(5) 0.081(2) Uani 1 1 d U . .
H26M H -0.0217 0.4214 0.5473 0.121 Uiso 1 1 calc R . .
H26N H 0.0381 0.4772 0.5668 0.121 Uiso 1 1 calc R . .
H26O H -0.0395 0.4702 0.5308 0.121 Uiso 1 1 calc R . .
C27E C -0.2313(6) 0.5683(6) 0.6386(6) 0.088(5) Uani 1 1 d U . .
H27E H -0.2118 0.5636 0.6712 0.105 Uiso 1 1 calc R . .
C28E C -0.3039(8) 0.5258(7) 0.6068(6) 0.117(3) Uani 1 1 d U . .
H28G H -0.2989 0.4882 0.6008 0.175 Uiso 1 1 calc R . .
H28H H -0.3230 0.5280 0.5737 0.175 Uiso 1 1 calc R . .
H28I H -0.3356 0.5344 0.6258 0.175 Uiso 1 1 calc R . .
C29E C -0.2476(7) 0.6273(6) 0.6533(5) 0.097(3) Uani 1 1 d U . .
H29D H -0.2036 0.6566 0.6716 0.145 Uiso 1 1 calc R . .
H29E H -0.2754 0.6312 0.6755 0.145 Uiso 1 1 calc R . .
H29F H -0.2739 0.6304 0.6218 0.145 Uiso 1 1 calc R . .
C30E C -0.2465(7) 0.4177(7) 0.5176(5) 0.105(3) Uani 1 1 d U . .
H30D H -0.2249 0.4083 0.4913 0.158 Uiso 1 1 calc R . .
H30E H -0.2322 0.4581 0.5379 0.158 Uiso 1 1 calc R . .
H30F H -0.2975 0.4051 0.5008 0.158 Uiso 1 1 calc R . .
C31E C -0.2139(6) 0.3337(5) 0.52723(17) 0.0772(17) Uani 1 1 d DU . .
H31G H -0.2412 0.3089 0.5372 0.093 Uiso 1 1 calc R . .
H31H H -0.2334 0.3192 0.4892 0.093 Uiso 1 1 calc R . .
C32E C -0.1452(6) 0.3303(6) 0.5418(5) 0.0772(17) Uani 1 1 d U . .
H32E H -0.1156 0.3552 0.5333 0.093 Uiso 1 1 calc R . .
H32F H -0.1423 0.2917 0.5247 0.093 Uiso 1 1 calc R . .
C33E C -0.0525(6) 0.3434(6) 0.6206(5) 0.092(3) Uani 1 1 d U . .
H33G H -0.0530 0.3041 0.6097 0.137 Uiso 1 1 calc R . .
H33H H -0.0375 0.3616 0.6582 0.137 Uiso 1 1 calc R . .
H33I H -0.0199 0.3615 0.6092 0.137 Uiso 1 1 calc R . .
C34E C -0.3516(7) 0.3601(6) 0.5943(5) 0.098(3) Uani 1 1 d U . .
H34D H -0.3798 0.3586 0.6155 0.147 Uiso 1 1 calc R . .
H34E H -0.3764 0.3318 0.5590 0.147 Uiso 1 1 calc R . .
H34F H -0.3434 0.3970 0.5941 0.147 Uiso 1 1 calc R . .
C35E C -0.2914(6) 0.3036(6) 0.6294(5) 0.0779(16) Uani 1 1 d U . .
H35E H -0.3250 0.2697 0.6003 0.093 Uiso 1 1 calc R . .
H35F H -0.3081 0.3119 0.6587 0.093 Uiso 1 1 calc R . .
C36E C -0.2207(6) 0.2923(6) 0.6449(5) 0.081(3) Uani 1 1 d U . .
H36L H -0.2218 0.2640 0.6591 0.097 Uiso 1 1 calc R . .
H36M H -0.2051 0.2793 0.6152 0.097 Uiso 1 1 calc R . .
C37E C -0.1695(7) 0.3487(6) 0.7328(5) 0.083(3) Uani 1 1 d U . .
H37M H -0.1546 0.3167 0.7369 0.125 Uiso 1 1 calc R . .
H37N H -0.2147 0.3488 0.7372 0.125 Uiso 1 1 calc R . .
H37O H -0.1345 0.3831 0.7588 0.125 Uiso 1 1 calc R . .
Yb1F Yb -0.30572(2) -0.14353(2) -0.227191(18) 0.03695(15) Uani 1 1 d U . .
O1F O -0.3141(4) -0.1926(4) -0.3145(3) 0.077(3) Uani 1 1 d U . .
O2F O -0.4115(4) -0.1441(3) -0.2929(3) 0.070(3) Uani 1 1 d U . .
O3F O -0.2002(3) -0.0851(3) -0.2268(3) 0.051(2) Uani 1 1 d U . .
O4F O -0.2943(3) -0.0424(3) -0.1893(3) 0.048(2) Uani 1 1 d . . .
N1F N -0.3386(4) -0.2119(4) -0.1977(3) 0.055(3) Uani 1 1 d . . .
N2F N -0.2251(4) -0.1695(4) -0.1700(3) 0.050(3) Uani 1 1 d . . .
C1F C -0.2729(5) -0.2064(4) -0.1675(4) 0.036(2) Uani 1 1 d U . .
C2F C -0.1568(2) -0.1413(2) -0.1372(2) 0.038(2) Uani 1 1 d GU . .
C3F C -0.1031(3) -0.1450(3) -0.1567(2) 0.042(4) Uani 1 1 d G . .
C4F C -0.0365(3) -0.1098(3) -0.1266(3) 0.042(3) Uani 1 1 d G . .
H4FA H 0.0002 -0.1123 -0.1400 0.051 Uiso 1 1 calc R . .
C5F C -0.0234(3) -0.0710(3) -0.0770(3) 0.053(4) Uani 1 1 d G . .
H5FA H 0.0221 -0.0470 -0.0564 0.064 Uiso 1 1 calc R . .
C6F C -0.0771(4) -0.0674(3) -0.0575(2) 0.061(4) Uani 1 1 d G . .
H6FA H -0.0682 -0.0408 -0.0235 0.073 Uiso 1 1 calc R . .
C7F C -0.1437(3) -0.1025(2) -0.0876(2) 0.045(4) Uani 1 1 d G . .
C8F C -0.1125(7) -0.1792(6) -0.2107(5) 0.087(2) Uani 1 1 d U . .
H8FA H -0.1625 -0.1845 -0.2311 0.105 Uiso 1 1 calc R . .
C9F C -0.1051(8) -0.2370(7) -0.2180(6) 0.114(3) Uani 1 1 d U . .
H9FA H -0.1134 -0.2593 -0.2543 0.171 Uiso 1 1 calc R . .
H9FB H -0.1394 -0.2547 -0.2075 0.171 Uiso 1 1 calc R . .
H9FC H -0.0578 -0.2344 -0.1967 0.171 Uiso 1 1 calc R . .
C10F C -0.0741(7) -0.1626(6) -0.2369(4) 0.084(4) Uani 1 1 d U . .
H10P H -0.0962 -0.1863 -0.2739 0.127 Uiso 1 1 calc R . .
H10Q H -0.0263 -0.1659 -0.2244 0.127 Uiso 1 1 calc R . .
H10R H -0.0727 -0.1238 -0.2308 0.127 Uiso 1 1 calc R . .
C11F C -0.1998(5) -0.0945(5) -0.0634(4) 0.044(3) Uani 1 1 d . . .
H11L H -0.2400 -0.1286 -0.0834 0.053 Uiso 1 1 calc R . .
C12F C -0.2270(5) -0.0439(5) -0.0674(4) 0.053(3) Uani 1 1 d U . .
H12J H -0.2673 -0.0422 -0.0563 0.080 Uiso 1 1 calc R . .
H12K H -0.2410 -0.0482 -0.1032 0.080 Uiso 1 1 calc R . .
H12L H -0.1897 -0.0095 -0.0452 0.080 Uiso 1 1 calc R . .
C13F C -0.1767(6) -0.0851(6) -0.0081(5) 0.085(5) Uani 1 1 d . . .
H13P H -0.1446 -0.1078 -0.0019 0.127 Uiso 1 1 calc R . .
H13Q H -0.2176 -0.0956 0.0003 0.127 Uiso 1 1 calc R . .
H13R H -0.1529 -0.0457 0.0137 0.127 Uiso 1 1 calc R . .
C14F C -0.2577(6) -0.2470(5) -0.1406(4) 0.061(3) Uani 1 1 d U . .
C15F C -0.2960(6) -0.2447(5) -0.1051(4) 0.065(3) Uani 1 1 d U . .
H15G H -0.3423 -0.2711 -0.1242 0.097 Uiso 1 1 calc R . .
H15H H -0.3013 -0.2070 -0.0897 0.097 Uiso 1 1 calc R . .
H15I H -0.2698 -0.2543 -0.0777 0.097 Uiso 1 1 calc R . .
C16F C -0.2780(6) -0.3058(5) -0.1829(4) 0.066(3) Uani 1 1 d U . .
H16G H -0.3289 -0.3204 -0.1970 0.099 Uiso 1 1 calc R . .
H16H H -0.2564 -0.3298 -0.1686 0.099 Uiso 1 1 calc R . .
H16I H -0.2615 -0.3048 -0.2105 0.099 Uiso 1 1 calc R . .
C17F C -0.1791(5) -0.2304(5) -0.1047(4) 0.071(5) Uani 1 1 d . . .
H17J H -0.1716 -0.2573 -0.0897 0.106 Uiso 1 1 calc R . .
H17K H -0.1676 -0.1932 -0.0770 0.106 Uiso 1 1 calc R . .
H17L H -0.1491 -0.2303 -0.1249 0.106 Uiso 1 1 calc R . .
C18F C -0.4046(3) -0.2469(2) -0.2063(2) 0.037(2) Uani 1 1 d GU . .
C19F C -0.4381(3) -0.2979(2) -0.2484(2) 0.041(2) Uani 1 1 d GU . .
C20F C -0.5044(3) -0.3265(3) -0.2559(3) 0.056(3) Uani 1 1 d GU . .
H20C H -0.5273 -0.3614 -0.2847 0.067 Uiso 1 1 calc R . .
C21F C -0.5371(3) -0.3042(3) -0.2214(3) 0.085(2) Uani 1 1 d GU . .
H21F H -0.5824 -0.3238 -0.2266 0.101 Uiso 1 1 calc R . .
C22F C -0.5035(4) -0.2533(4) -0.1794(3) 0.056(3) Uani 1 1 d GU . .
H22L H -0.5259 -0.2380 -0.1558 0.067 Uiso 1 1 calc R . .
C23F C -0.4373(3) -0.2246(3) -0.1718(2) 0.055(4) Uani 1 1 d GU . .
C24F C -0.4094(5) -0.3195(5) -0.2902(4) 0.050(4) Uani 1 1 d . . .
H24F H -0.3583 -0.3006 -0.2761 0.060 Uiso 1 1 calc R . .
C25F C -0.4438(5) -0.3073(5) -0.3349(4) 0.046(4) Uani 1 1 d . . .
H25P H -0.4285 -0.2673 -0.3254 0.069 Uiso 1 1 calc R . .
H25Q H -0.4947 -0.3185 -0.3447 0.069 Uiso 1 1 calc R . .
H25R H -0.4309 -0.3279 -0.3641 0.069 Uiso 1 1 calc R . .
C26F C -0.4185(6) -0.3844(5) -0.3102(5) 0.071(5) Uani 1 1 d . . .
H26P H -0.3989 -0.3935 -0.2810 0.106 Uiso 1 1 calc R . .
H26Q H -0.3939 -0.3960 -0.3344 0.106 Uiso 1 1 calc R . .
H26R H -0.4684 -0.4039 -0.3278 0.106 Uiso 1 1 calc R . .
C27F C -0.4081(5) -0.1657(5) -0.1283(4) 0.047(3) Uani 1 1 d U . .
H27F H -0.3561 -0.1565 -0.1179 0.056 Uiso 1 1 calc R . .
C28F C -0.4329(7) -0.1246(5) -0.1491(4) 0.071(5) Uani 1 1 d . . .
H28J H -0.4030 -0.0870 -0.1260 0.107 Uiso 1 1 calc R . .
H28K H -0.4813 -0.1259 -0.1514 0.107 Uiso 1 1 calc R . .
H28L H -0.4303 -0.1345 -0.1835 0.107 Uiso 1 1 calc R . .
C29F C -0.4239(6) -0.1569(6) -0.0816(5) 0.075(5) Uani 1 1 d . . .
H29G H -0.3899 -0.1238 -0.0527 0.112 Uiso 1 1 calc R . .
H29H H -0.4213 -0.1894 -0.0737 0.112 Uiso 1 1 calc R . .
H29I H -0.4711 -0.1518 -0.0870 0.112 Uiso 1 1 calc R . .
C30F C -0.2782(7) -0.2354(7) -0.3321(5) 0.106(3) Uani 1 1 d U . .
H30G H -0.3086 -0.2641 -0.3661 0.159 Uiso 1 1 calc R . .
H30H H -0.2673 -0.2524 -0.3076 0.159 Uiso 1 1 calc R . .
H30I H -0.2348 -0.2185 -0.3342 0.159 Uiso 1 1 calc R . .
C31F C -0.3610(3) -0.1883(3) -0.3567(4) 0.104(3) Uani 1 1 d DU . .
H31I H -0.3988 -0.2232 -0.3778 0.125 Uiso 1 1 calc R . .
H31J H -0.3364 -0.1808 -0.3786 0.125 Uiso 1 1 calc R . .
C32F C -0.3911(5) -0.1397(4) -0.3337(5) 0.112(3) Uani 1 1 d DU . .
H32G H -0.3555 -0.1040 -0.3203 0.135 Uiso 1 1 calc R . .
H32H H -0.4322 -0.1400 -0.3609 0.135 Uiso 1 1 calc R . .
C33F C -0.4716(7) -0.1286(7) -0.2963(5) 0.103(3) Uani 1 1 d U . .
H33J H -0.5024 -0.1442 -0.3326 0.155 Uiso 1 1 calc R . .
H33K H -0.4611 -0.0879 -0.2820 0.155 Uiso 1 1 calc R . .
H33L H -0.4949 -0.1423 -0.2770 0.155 Uiso 1 1 calc R . .
C34F C -0.1895(5) -0.0793(5) -0.2687(4) 0.066(4) Uani 1 1 d U . .
H34G H -0.1405 -0.0597 -0.2587 0.099 Uiso 1 1 calc R . .
H34H H -0.2200 -0.0579 -0.2804 0.099 Uiso 1 1 calc R . .
H34I H -0.2003 -0.1161 -0.2967 0.099 Uiso 1 1 calc R . .
C35F C -0.1765(5) -0.0371(4) -0.1824(4) 0.036(2) Uani 1 1 d U . .
H35G H -0.1333 -0.0140 -0.1805 0.043 Uiso 1 1 calc R . .
H35H H -0.1648 -0.0465 -0.1523 0.043 Uiso 1 1 calc R . .
C36F C -0.2307(5) -0.0045(5) -0.1805(4) 0.056(4) Uani 1 1 d . . .
H36N H -0.2155 0.0273 -0.1464 0.068 Uiso 1 1 calc R . .
H36O H -0.2380 0.0099 -0.2074 0.068 Uiso 1 1 calc R . .
C37F C -0.3459(6) -0.0133(5) -0.1789(5) 0.078(4) Uani 1 1 d . . .
H37P H -0.3441 0.0162 -0.1911 0.117 Uiso 1 1 calc R . .
H37Q H -0.3361 0.0031 -0.1418 0.117 Uiso 1 1 calc R . .
H37R H -0.3925 -0.0395 -0.1968 0.117 Uiso 1 1 calc R . .
C1S C 0.3880(5) 0.4171(5) 0.1584(4) 0.0555(13) Uani 0.50 1 d PGU A 1
H1SA H 0.3416 0.4007 0.1538 0.067 Uiso 0.50 1 calc PR A 1
C2S C 0.4023(7) 0.4643(6) 0.1495(5) 0.0555(13) Uani 0.50 1 d PGU A 1
H2SA H 0.3656 0.4803 0.1389 0.067 Uiso 0.50 1 calc PR A 1
C4S C 0.4702(8) 0.4883(6) 0.1561(6) 0.0555(13) Uani 0.50 1 d PGU A 1
H4SA H 0.4800 0.5206 0.1500 0.067 Uiso 0.50 1 calc PR A 1
C3S C 0.5239(6) 0.4650(7) 0.1716(6) 0.0555(13) Uani 0.50 1 d PGU A 1
H3SA H 0.5704 0.4814 0.1761 0.067 Uiso 0.50 1 calc PR A 1
C5S C 0.5097(6) 0.4178(7) 0.1805(6) 0.0555(13) Uani 0.50 1 d PGU A 1
H5SA H 0.5464 0.4019 0.1911 0.067 Uiso 0.50 1 calc PR A 1
C6S C 0.4417(7) 0.3938(6) 0.1738(5) 0.0555(13) Uani 0.50 1 d PGU A 1
H6SA H 0.4320 0.3615 0.1799 0.067 Uiso 0.50 1 calc PR A 1
O1S O 0.2405(3) 0.6447(2) -0.1349(3) 0.1033(6) Uani 0.50 1 d PDU B 2
C7S C 0.2929(2) 0.6927(3) -0.0944(3) 0.1033(6) Uani 0.50 1 d PDU B 2
H7SA H 0.3029 0.6907 -0.0606 0.124 Uiso 0.50 1 calc PR B 2
H7SB H 0.2795 0.7274 -0.0922 0.124 Uiso 0.50 1 calc PR B 2
C8S C 0.3552(3) 0.6877(2) -0.1128(3) 0.1033(6) Uani 0.50 1 d PDU B 2
H8SA H 0.3662 0.7176 -0.1238 0.124 Uiso 0.50 1 calc PR B 2
H8SB H 0.3971 0.6909 -0.0846 0.124 Uiso 0.50 1 calc PR B 2
C9S C 0.3342(2) 0.6304(3) -0.1584(3) 0.1033(6) Uani 0.50 1 d PDU B 2
H9SA H 0.3673 0.6085 -0.1505 0.124 Uiso 0.50 1 calc PR B 2
H9SB H 0.3354 0.6351 -0.1897 0.124 Uiso 0.50 1 calc PR B 2
C10S C 0.2598(3) 0.6000(3) -0.1675(4) 0.1033(6) Uani 0.50 1 d PD B 2
H10S H 0.2288 0.5856 -0.2040 0.124 Uiso 0.50 1 calc PR B 2
H10T H 0.2598 0.5691 -0.1565 0.124 Uiso 0.50 1 calc PR B 2
C11S C 0.00999(15) -0.02196(13) 0.48012(11) 0.091(3) Uani 1 1 d DU . .
H11M H -0.0322 -0.0529 0.4566 0.109 Uiso 1 1 calc R . .
H11N H 0.0443 -0.0372 0.4984 0.109 Uiso 1 1 calc R . .
C12S C 0.0415(3) 0.0005(2) 0.44797(18) 0.167(3) Uani 1 1 d DU . .
H12M H 0.0828 0.0323 0.4716 0.200 Uiso 1 1 calc R . .
H12N H 0.0066 0.0146 0.4288 0.200 Uiso 1 1 calc R . .
C13S C 0.0638(4) -0.0430(4) 0.4093(4) 0.122(3) Uani 1 1 d DU . .
H13S H 0.0822 -0.0261 0.3896 0.182 Uiso 1 1 calc R . .
H13T H 0.0232 -0.0746 0.3856 0.182 Uiso 1 1 calc R . .
H13U H 0.1000 -0.0558 0.4279 0.182 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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
N4A Yb1A N3A 86.1(3) .
N4A Yb1A N1A 114.4(3) .
N3A Yb1A N1A 135.1(3) .
N4A Yb1A N2A 123.0(3) .
N3A Yb1A N2A 119.3(3) .
N1A Yb1A N2A 83.8(3) .
N4A Yb1A C28A 33.3(3) .
N3A Yb1A C28A 59.3(3) .
N1A Yb1A C28A 118.0(3) .
N2A Yb1A C28A 151.4(4) .
N4A Yb1A C1A 143.6(3) .
N3A Yb1A C1A 126.4(3) .
N1A Yb1A C1A 31.9(3) .
N2A Yb1A C1A 59.4(3) .
C28A Yb1A C1A 147.4(3) .
N4A Yb1A C2A 149.4(3) .
N3A Yb1A C2A 120.3(3) .
N1A Yb1A C2A 59.1(3) .
N2A Yb1A C2A 32.6(3) .
C28A Yb1A C2A 176.0(4) .
C1A Yb1A C2A 29.0(3) .
N4A Yb1A C27A 61.1(3) .
N3A Yb1A C27A 31.1(3) .
N1A Yb1A C27A 125.9(3) .
N2A Yb1A C27A 147.5(3) .
C28A Yb1A C27A 29.7(3) .
C1A Yb1A C27A 139.7(4) .
C2A Yb1A C27A 148.8(3) .
C1A N1A C15A 116.7(8) .
C1A N1A Yb1A 92.8(6) .
C15A N1A Yb1A 149.5(5) .
C3A N2A C2A 118.3(7) .
C3A N2A Yb1A 146.4(6) .
C2A N2A Yb1A 90.8(5) .
C27A N3A C41A 116.7(7) .
C27A N3A Yb1A 94.6(6) .
C41A N3A Yb1A 147.5(5) .
C29A N4A C28A 117.8(7) .
C29A N4A Yb1A 150.1(5) .
C28A N4A Yb1A 91.1(6) .
C2A C1A N1A 124.8(11) .
C2A C1A Yb1A 75.6(6) .
N1A C1A Yb1A 55.3(5) .
C1A C2A N2A 124.5(9) .
C1A C2A Yb1A 75.4(6) .
N2A C2A Yb1A 56.6(4) .
C4A C3A C8A 120.0 .
C4A C3A N2A 119.7(5) .
C8A C3A N2A 120.2(5) .
C5A C4A C3A 120.0 .
C5A C4A C9A 116.7(6) .
C3A C4A C9A 123.0(6) .
C4A C5A C6A 120.0 .
C7A C6A C5A 120.0 .
C8A C7A C6A 120.0 .
C7A C8A C3A 120.0 .
C7A C8A C12A 118.7(6) .
C3A C8A C12A 121.3(6) .
C4A C9A C10A 116.7(11) .
C4A C9A C11A 110.9(11) .
C10A C9A C11A 109.8(10) .
C13A C12A C14A 106.1(9) .
C13A C12A C8A 115.8(8) .
C14A C12A C8A 108.7(8) .
C16A C15A C20A 123.3(10) .
C16A C15A N1A 116.2(8) .
C20A C15A N1A 120.2(8) .
C15A C16A C17A 117.9(9) .
C15A C16A C21A 125.1(10) .
C17A C16A C21A 116.6(9) .
C18A C17A C16A 122.8(10) .
C17A C18A C19A 116.1(12) .
C20A C19A C18A 121.5(10) .
C19A C20A C15A 117.4(9) .
C19A C20A C24A 120.1(9) .
C15A C20A C24A 122.4(10) .
C22A C21A C16A 115.3(9) .
C22A C21A C23A 111.5(9) .
C16A C21A C23A 116.4(9) .
C20A C24A C25A 110.4(9) .
C20A C24A C26A 113.7(10) .
C25A C24A C26A 107.2(7) .
C28A C27A N3A 122.8(9) .
C28A C27A Yb1A 73.2(5) .
N3A C27A Yb1A 54.3(4) .
C27A C28A N4A 126.5(9) .
C27A C28A Yb1A 77.2(6) .
N4A C28A Yb1A 55.6(5) .
C30A C29A C34A 120.0 .
C30A C29A N4A 120.2(5) .
C34A C29A N4A 119.6(5) .
C31A C30A C29A 120.0 .
C31A C30A C35A 120.9(5) .
C29A C30A C35A 119.1(5) .
C32A C31A C30A 120.0 .
C31A C32A C33A 120.0 .
C32A C33A C34A 120.0 .
C33A C34A C29A 120.0 .
C33A C34A C38A 118.3(6) .
C29A C34A C38A 121.5(6) .
C36A C35A C37A 109.1(8) .
C36A C35A C30A 107.1(9) .
C37A C35A C30A 115.9(8) .
C34A C38A C39A 115.8(9) .
C34A C38A C40A 110.2(9) .
C39A C38A C40A 108.4(9) .
C42A C41A C46A 120.0 .
C42A C41A N3A 119.4(5) .
C46A C41A N3A 120.6(5) .
C41A C42A C43A 120.0 .
C41A C42A C47A 122.5(7) .
C43A C42A C47A 117.4(7) .
C44A C43A C42A 120.0 .
C43A C44A C45A 120.0 .
C46A C45A C44A 120.0 .
C45A C46A C41A 120.0 .
C45A C46A C50A 115.5(6) .
C41A C46A C50A 124.1(6) .
C42A C47A C49A 117.2(10) .
C42A C47A C48A 108.4(8) .
C49A C47A C48A 108.1(10) .
C46A C50A C51A 114.4(10) .
C46A C50A C52A 113.3(12) .
C51A C50A C52A 102.8(10) .
N3B Yb1B N1B 116.0(3) .
N3B Yb1B N2B 119.8(3) .
N1B Yb1B N2B 85.1(3) .
N3B Yb1B N4B 84.7(3) .
N1B Yb1B N4B 138.8(3) .
N2B Yb1B N4B 116.5(3) .
N3B Yb1B C27B 32.5(4) .
N1B Yb1B C27B 119.2(3) .
N2B Yb1B C27B 147.7(3) .
N4B Yb1B C27B 60.2(3) .
N3B Yb1B C28B 60.5(3) .
N1B Yb1B C28B 127.9(3) .
N2B Yb1B C28B 145.1(3) .
N4B Yb1B C28B 31.9(3) .
C27B Yb1B C28B 30.3(4) .
N3B Yb1B C2B 146.8(4) .
N1B Yb1B C2B 58.9(3) .
N2B Yb1B C2B 33.2(3) .
N4B Yb1B C2B 121.6(3) .
C27B Yb1B C2B 177.9(3) .
C28B Yb1B C2B 151.2(4) .
N3B Yb1B C1B 144.6(3) .
N1B Yb1B C1B 31.8(3) .
N2B Yb1B C1B 60.9(3) .
N4B Yb1B C1B 128.5(3) .
C27B Yb1B C1B 149.1(3) .
C28B Yb1B C1B 141.8(3) .
C2B Yb1B C1B 29.3(2) .
C1B N1B C15B 117.0(7) .
C1B N1B Yb1B 93.0(5) .
C15B N1B Yb1B 149.8(5) .
C3B N2B C2B 119.7(7) .
C3B N2B Yb1B 148.6(6) .
C2B N2B Yb1B 90.8(5) .
C27B N3B C41B 115.2(7) .
C27B N3B Yb1B 90.3(6) .
C41B N3B Yb1B 151.6(6) .
C28B N4B C29B 119.4(8) .
C28B N4B Yb1B 90.4(6) .
C29B N4B Yb1B 148.3(5) .
C2B C1B N1B 122.1(9) .
C2B C1B Yb1B 74.4(6) .
N1B C1B Yb1B 55.1(5) .
C1B C2B N2B 126.9(9) .
C1B C2B Yb1B 76.3(6) .
N2B C2B Yb1B 56.0(5) .
C4B C3B C8B 120.0 .
C4B C3B N2B 121.1(5) .
C8B C3B N2B 118.8(5) .
C5B C4B C3B 120.0 .
C5B C4B C9B 117.7(6) .
C3B C4B C9B 122.0(5) .
C4B C5B C6B 120.0 .
C7B C6B C5B 120.0 .
C6B C7B C8B 120.0 .
C7B C8B C3B 120.0 .
C7B C8B C12B 118.1(5) .
C3B C8B C12B 121.9(5) .
C11B C9B C4B 114.8(8) .
C11B C9B C10B 109.8(10) .
C4B C9B C10B 111.9(8) .
C8B C12B C13B 109.7(11) .
C8B C12B C14B 115.8(8) .
C13B C12B C14B 111.7(10) .
C16B C15B C20B 120.0 .
C16B C15B N1B 124.4(5) .
C20B C15B N1B 115.6(5) .
C17B C16B C15B 120.0 .
C17B C16B C21B 118.7(5) .
C15B C16B C21B 120.3(5) .
C16B C17B C18B 120.0 .
C19B C18B C17B 120.0 .
C18B C19B C20B 120.0 .
C19B C20B C15B 120.0 .
C19B C20B C24B 117.6(5) .
C15B C20B C24B 122.4(5) .
C22B C21B C23B 111.0(9) .
C22B C21B C16B 109.8(8) .
C23B C21B C16B 109.2(8) .
C25B C24B C26B 112.2(11) .
C25B C24B C20B 113.2(9) .
C26B C24B C20B 112.4(9) .
C28B C27B N3B 125.4(9) .
C28B C27B Yb1B 75.9(6) .
N3B C27B Yb1B 57.2(5) .
C27B C28B N4B 124.9(10) .
C27B C28B Yb1B 73.8(7) .
N4B C28B Yb1B 57.7(5) .
C30B C29B C34B 120.0 .
C30B C29B N4B 120.0(5) .
C34B C29B N4B 119.7(5) .
C31B C30B C29B 120.0 .
C31B C30B C35B 118.9(6) .
C29B C30B C35B 121.1(6) .
C32B C31B C30B 120.0 .
C31B C32B C33B 120.0 .
C34B C33B C32B 120.0 .
C33B C34B C29B 120.0 .
C33B C34B C38B 114.4(6) .
C29B C34B C38B 124.8(6) .
C36B C35B C37B 112.4(10) .
C36B C35B C30B 107.1(8) .
C37B C35B C30B 114.5(8) .
C34B C38B C40B 114.1(9) .
C34B C38B C39B 114.0(10) .
C40B C38B C39B 103.8(9) .
C42B C41B C46B 120.0 .
C42B C41B N3B 120.5(5) .
C46B C41B N3B 119.2(5) .
C41B C42B C43B 120.0 .
C41B C42B C47B 120.0(7) .
C43B C42B C47B 119.7(7) .
C42B C43B C44B 120.0 .
C43B C44B C45B 120.0 .
C46B C45B C44B 120.0 .
C45B C46B C41B 120.0 .
C45B C46B C50B 117.6(6) .
C41B C46B C50B 122.3(5) .
C42B C47B C49B 113.8(9) .
C42B C47B C48B 116.1(12) .
C49B C47B C48B 105.5(10) .
C46B C50B C51B 117.5(8) .
C46B C50B C52B 108.9(7) .
C51B C50B C52B 110.7(9) .
N1C Yb1C N4C 117.4(3) .
N1C Yb1C N3C 118.3(3) .
N4C Yb1C N3C 86.2(4) .
N1C Yb1C N2C 84.0(4) .
N4C Yb1C N2C 120.1(4) .
N3C Yb1C N2C 134.5(3) .
N1C Yb1C C2C 59.8(3) .
N4C Yb1C C2C 147.4(4) .
N3C Yb1C C2C 124.9(3) .
N2C Yb1C C2C 31.8(3) .
N1C Yb1C C1C 32.3(3) .
N4C Yb1C C1C 146.0(4) .
N3C Yb1C C1C 119.1(3) .
N2C Yb1C C1C 59.3(3) .
C2C Yb1C C1C 29.5(3) .
N1C Yb1C C27C 145.9(4) .
N4C Yb1C C27C 60.6(4) .
N3C Yb1C C27C 32.4(3) .
N2C Yb1C C27C 128.1(3) .
C2C Yb1C C27C 142.0(3) .
C1C Yb1C C27C 150.3(4) .
N1C Yb1C C28C 144.6(3) .
N4C Yb1C C28C 32.2(3) .
N3C Yb1C C28C 60.3(3) .
N2C Yb1C C28C 123.6(3) .
C2C Yb1C C28C 153.7(3) .
C1C Yb1C C28C 176.8(3) .
C27C Yb1C C28C 29.8(3) .
C1C N1C C15C 119.6(8) .
C1C N1C Yb1C 92.6(6) .
C15C N1C Yb1C 146.4(7) .
C2C N2C C3C 120.8(11) .
C2C N2C Yb1C 90.2(8) .
C3C N2C Yb1C 147.2(7) .
C41C N3C C27C 120.0(9) .
C41C N3C Yb1C 148.3(6) .
C27C N3C Yb1C 91.0(7) .
C28C N4C C29C 116.2(8) .
C28C N4C Yb1C 93.4(6) .
C29C N4C Yb1C 149.8(7) .
C2C C1C N1C 123.7(10) .
C2C C1C Yb1C 75.2(7) .
N1C C1C Yb1C 55.1(5) .
C1C C2C N2C 126.1(12) .
C1C C2C Yb1C 75.3(8) .
N2C C2C Yb1C 57.9(7) .
C4C C3C C8C 120.0 .
C4C C3C N2C 118.3(6) .
C8C C3C N2C 121.7(6) .
C5C C4C C3C 120.0 .
C5C C4C C9C 116.1(6) .
C3C C4C C9C 123.9(6) .
C6C C5C C4C 120.0 .
C5C C6C C7C 120.0 .
C6C C7C C8C 120.0 .
C7C C8C C3C 120.0 .
C7C C8C C12C 116.6(9) .
C3C C8C C12C 123.0(9) .
C10C C9C C4C 115.7(13) .
C10C C9C C11C 113.5(12) .
C4C C9C C11C 111.2(11) .
C13C C12C C14C 109.4(17) .
C13C C12C C8C 113.9(12) .
C14C C12C C8C 109.7(12) .
C16C C15C C20C 120.0 .
C16C C15C N1C 123.1(7) .
C20C C15C N1C 116.8(7) .
C15C C16C C17C 120.0 .
C15C C16C C21C 122.1(7) .
C17C C16C C21C 117.9(7) .
C16C C17C C18C 120.0 .
C19C C18C C17C 120.0 .
C18C C19C C20C 120.0 .
C19C C20C C15C 120.0 .
C19C C20C C24C 117.1(7) .
C15C C20C C24C 122.7(7) .
C16C C21C C22C 112.5(12) .
C16C C21C C23C 115.6(10) .
C22C C21C C23C 99.5(12) .
C20C C24C C26C 110.6(10) .
C20C C24C C25C 113.5(10) .
C26C C24C C25C 108.4(13) .
C28C C27C N3C 125.0(10) .
C28C C27C Yb1C 75.3(7) .
N3C C27C Yb1C 56.6(6) .
C27C C28C N4C 124.6(9) .
C27C C28C Yb1C 74.9(7) .
N4C C28C Yb1C 54.4(5) .
C30C C29C C34C 120.0 .
C30C C29C N4C 123.6(7) .
C34C C29C N4C 116.4(7) .
C29C C30C C31C 120.0 .
C29C C30C C35C 120.1(9) .
C31C C30C C35C 119.5(9) .
C32C C31C C30C 120.0 .
C33C C32C C31C 120.0 .
C32C C33C C34C 120.0 .
C33C C34C C29C 120.0 .
C33C C34C C38C 119.8(9) .
C29C C34C C38C 119.8(9) .
C30C C35C C36C 110.6(13) .
C30C C35C C37C 130.0(13) .
C36C C35C C37C 92.8(12) .
C40C C38C C39C 106.6(15) .
C40C C38C C34C 105.7(10) .
C39C C38C C34C 115.3(14) .
N3C C41C C42C 119.4(5) .
N3C C41C C46C 120.3(5) .
C42C C41C C46C 120.0 .
C41C C42C C43C 120.0 .
C41C C42C C47C 127.4(7) .
C43C C42C C47C 112.2(7) .
C44C C43C C42C 120.0 .
C45C C44C C43C 120.0 .
C44C C45C C46C 120.0 .
C45C C46C C41C 120.0 .
C45C C46C C50C 119.0(6) .
C41C C46C C50C 120.7(6) .
C42C C47C C49C 116.1(9) .
C42C C47C C48C 114.2(10) .
C49C C47C C48C 110.6(12) .
C46C C50C C52C 121.1(11) .
C46C C50C C51C 112.4(10) .
C52C C50C C51C 107.3(11) .
N2D Yb1D O1D 107.8(4) .
N2D Yb1D N1D 57.0(4) .
O1D Yb1D N1D 114.4(3) .
N2D Yb1D O2D 90.6(4) .
O1D Yb1D O2D 68.5(3) .
N1D Yb1D O2D 147.3(3) .
N2D Yb1D O3D 145.9(4) .
O1D Yb1D O3D 82.1(3) .
N1D Yb1D O3D 89.1(3) .
O2D Yb1D O3D 122.9(3) .
N2D Yb1D O4D 133.2(3) .
O1D Yb1D O4D 109.0(3) .
N1D Yb1D O4D 126.7(3) .
O2D Yb1D O4D 77.1(3) .
O3D Yb1D O4D 67.6(3) .
N2D Yb1D C1D 31.0(4) .
O1D Yb1D C1D 116.7(4) .
N1D Yb1D C1D 26.2(4) .
O2D Yb1D C1D 121.6(4) .
O3D Yb1D C1D 115.2(4) .
O4D Yb1D C1D 134.2(3) .
N2D Yb1D C32D 105.7(4) .
O1D Yb1D C32D 49.8(4) .
N1D Yb1D C32D 155.1(4) .
O2D Yb1D C32D 21.4(3) .
O3D Yb1D C32D 105.3(3) .
O4D Yb1D C32D 78.1(4) .
C1D Yb1D C32D 135.2(4) .
N2D Yb1D C35D 170.9(4) .
O1D Yb1D C35D 76.9(3) .
N1D Yb1D C35D 114.1(4) .
O2D Yb1D C35D 98.4(4) .
O3D Yb1D C35D 25.5(3) .
O4D Yb1D C35D 49.0(3) .
C1D Yb1D C35D 140.0(4) .
C32D Yb1D C35D 83.3(4) .
C30D O1D C31D 114.6(12) .
C30D O1D Yb1D 127.4(11) .
C31D O1D Yb1D 117.5(7) .
C32D O2D C33D 109.7(13) .
C32D O2D Yb1D 111.3(10) .
C33D O2D Yb1D 129.4(10) .
C35D O3D C34D 114.3(10) .
C35D O3D Yb1D 104.9(7) .
C34D O3D Yb1D 136.8(7) .
C37D O4D C36D 109.7(9) .
C37D O4D Yb1D 135.5(7) .
C36D O4D Yb1D 112.9(7) .
C1D N1D C18D 124.3(12) .
C1D N1D Yb1D 96.5(10) .
C18D N1D Yb1D 136.5(7) .
C2D N2D C1D 133.1(9) .
C2D N2D Yb1D 127.7(8) .
C1D N2D Yb1D 93.8(8) .
N1D C1D N2D 112.1(12) .
N1D C1D C14D 129.4(16) .
N2D C1D C14D 118.4(12) .
N1D C1D Yb1D 57.3(8) .
N2D C1D Yb1D 55.2(6) .
C14D C1D Yb1D 172.9(11) .
N2D C2D C3D 114.0(5) .
N2D C2D C7D 124.7(5) .
C3D C2D C7D 120.0 .
C4D C3D C2D 120.0 .
C4D C3D C8D 119.1(3) .
C2D C3D C8D 120.9(3) .
C3D C4D C5D 120.0 .
C4D C5D C6D 120.0 .
C7D C6D C5D 120.0 .
C6D C7D C2D 120.0 .
C6D C7D C11D 112.2(3) .
C2D C7D C11D 127.8(3) .
C3D C8D C9D 124.1(5) .
C3D C8D C10D 115.2(4) .
C9D C8D C10D 104.1(7) .
C7D C11D C13D 113.8(7) .
C7D C11D C12D 103.5(6) .
C13D C11D C12D 123.7(6) .
C15D C14D C1D 106.1(11) .
C15D C14D C17D 107.0(14) .
C1D C14D C17D 115.3(13) .
C15D C14D C16D 103.9(13) .
C1D C14D C16D 117.9(15) .
C17D C14D C16D 105.6(11) .
C19D C18D C23D 120.0 .
C19D C18D N1D 118.2(6) .
C23D C18D N1D 120.8(6) .
C20D C19D C18D 120.0 .
C20D C19D C24D 115.6(7) .
C18D C19D C24D 124.2(7) .
C21D C20D C19D 120.0 .
C20D C21D C22D 120.0 .
C23D C22D C21D 120.0 .
C22D C23D C18D 120.0 .
C22D C23D C27D 120.7(8) .
C18D C23D C27D 119.2(8) .
C26D C24D C25D 113.8(11) .
C26D C24D C19D 108.2(11) .
C25D C24D C19D 111.4(11) .
C23D C27D C29D 113.2(12) .
C23D C27D C28D 103.4(8) .
C29D C27D C28D 105.6(11) .
C32D C31D O1D 105.1(12) .
O2D C32D C31D 123.6(15) .
O2D C32D Yb1D 47.3(8) .
C31D C32D Yb1D 87.2(10) .
O3D C35D C36D 111.7(10) .
O3D C35D Yb1D 49.5(5) .
C36D C35D Yb1D 87.4(7) .
C35D C36D O4D 108.6(10) .
N2E Yb1E O2E 120.2(3) .
N2E Yb1E N1E 56.7(3) .
O2E Yb1E N1E 115.1(3) .
N2E Yb1E O3E 130.6(3) .
O2E Yb1E O3E 96.3(3) .
N1E Yb1E O3E 137.1(3) .
N2E Yb1E O1E 145.3(3) .
O2E Yb1E O1E 69.2(3) .
N1E Yb1E O1E 88.7(3) .
O3E Yb1E O1E 75.5(3) .
N2E Yb1E O4E 89.1(3) .
O2E Yb1E O4E 77.2(3) .
N1E Yb1E O4E 145.6(3) .
O3E Yb1E O4E 66.4(3) .
O1E Yb1E O4E 125.2(3) .
N2E Yb1E C1E 29.3(4) .
O2E Yb1E C1E 122.2(3) .
N1E Yb1E C1E 27.4(3) .
O3E Yb1E C1E 141.5(3) .
O1E Yb1E C1E 116.1(3) .
O4E Yb1E C1E 118.4(3) .
N2E Yb1E C31E 157.9(3) .
O2E Yb1E C31E 44.5(3) .
N1E Yb1E C31E 110.9(3) .
O3E Yb1E C31E 71.3(3) .
O1E Yb1E C31E 28.2(3) .
O4E Yb1E C31E 100.1(3) .
C1E Yb1E C31E 136.2(4) .
C30E O1E C31E 119.1(9) .
C30E O1E Yb1E 139.4(8) .
C31E O1E Yb1E 100.6(5) .
C32E O2E C33E 112.5(9) .
C32E O2E Yb1E 119.2(7) .
C33E O2E Yb1E 122.5(7) .
C34E O3E C35E 117.7(11) .
C34E O3E Yb1E 125.7(9) .
C35E O3E Yb1E 115.2(6) .
C37E O4E C36E 110.5(11) .
C37E O4E Yb1E 133.9(8) .
C36E O4E Yb1E 109.3(8) .
C1E N1E C18E 136.5(9) .
C1E N1E Yb1E 94.9(7) .
C18E N1E Yb1E 128.1(5) .
C2E N2E C1E 127.2(9) .
C2E N2E Yb1E 136.5(7) .
C1E N2E Yb1E 94.7(6) .
N1E C1E N2E 113.7(9) .
N1E C1E C14E 122.2(12) .
N2E C1E C14E 124.2(11) .
N1E C1E Yb1E 57.7(6) .
N2E C1E Yb1E 56.0(5) .
C14E C1E Yb1E 178.0(8) .
N2E C2E C3E 122.1(6) .
N2E C2E C7E 117.3(6) .
C3E C2E C7E 120.0 .
C4E C3E C2E 120.0 .
C4E C3E C8E 118.5(8) .
C2E C3E C8E 121.5(8) .
C5E C4E C3E 120.0 .
C6E C5E C4E 120.0 .
C5E C6E C7E 120.0 .
C6E C7E C2E 120.0 .
C6E C7E C11E 115.0(9) .
C2E C7E C11E 124.5(9) .
C3E C8E C10E 109.4(13) .
C3E C8E C9E 116.0(11) .
C10E C8E C9E 110.6(12) .
C7E C11E C12E 114.8(15) .
C7E C11E C13E 114.4(12) .
C12E C11E C13E 108.4(13) .
C1E C14E C15E 116.9(11) .
C1E C14E C17E 113.9(11) .
C15E C14E C17E 111.3(11) .
C1E C14E C16E 113.2(11) .
C15E C14E C16E 100.3(11) .
C17E C14E C16E 99.0(10) .
C19E C18E C23E 120.0 .
C19E C18E N1E 120.0(6) .
C23E C18E N1E 119.3(6) .
C20E C19E C18E 120.0 .
C20E C19E C24E 117.8(7) .
C18E C19E C24E 121.9(7) .
C19E C20E C21E 120.0 .
C20E C21E C22E 120.0 .
C23E C22E C21E 120.0 .
C22E C23E C18E 120.0 .
C22E C23E C27E 118.6(8) .
C18E C23E C27E 121.3(8) .
C25E C24E C26E 112.2(12) .
C25E C24E C19E 107.5(12) .
C26E C24E C19E 110.6(11) .
C23E C27E C28E 112.1(11) .
C23E C27E C29E 116.2(13) .
C28E C27E C29E 104.6(11) .
C32E C31E O1E 116.0(10) .
C32E C31E Yb1E 85.7(6) .
O1E C31E Yb1E 51.2(4) .
C31E C32E O2E 103.4(10) .
O3E C35E C36E 113.1(12) .
O4E C36E C35E 103.8(11) .
N2F Yb1F N1F 55.6(3) .
N2F Yb1F O1F 111.2(3) .
N1F Yb1F O1F 107.1(3) .
N2F Yb1F O4F 111.4(2) .
N1F Yb1F O4F 129.4(3) .
O1F Yb1F O4F 121.8(3) .
N2F Yb1F O2F 162.8(3) .
N1F Yb1F O2F 108.2(3) .
O1F Yb1F O2F 65.5(3) .
O4F Yb1F O2F 82.9(2) .
N2F Yb1F O3F 86.0(3) .
N1F Yb1F O3F 141.3(3) .
O1F Yb1F O3F 80.1(3) .
O4F Yb1F O3F 65.5(2) .
O2F Yb1F O3F 109.2(3) .
N2F Yb1F C1F 27.6(3) .
N1F Yb1F C1F 28.1(3) .
O1F Yb1F C1F 112.3(3) .
O4F Yb1F C1F 123.8(3) .
O2F Yb1F C1F 136.1(3) .
O3F Yb1F C1F 113.5(3) .
N2F Yb1F C35F 82.2(3) .
N1F Yb1F C35F 134.4(3) .
O1F Yb1F C35F 103.6(3) .
O4F Yb1F C35F 47.2(2) .
O2F Yb1F C35F 114.9(3) .
O3F Yb1F C35F 24.1(2) .
C1F Yb1F C35F 108.2(3) .
N2F Yb1F C32F 157.9(3) .
N1F Yb1F C32F 125.7(3) .
O1F Yb1F C32F 46.8(3) .
O4F Yb1F C32F 84.7(2) .
O2F Yb1F C32F 25.3(3) .
O3F Yb1F C32F 87.4(3) .
C1F Yb1F C32F 149.2(2) .
C35F Yb1F C32F 99.9(3) .
C31F O1F C30F 110.6(9) .
C31F O1F Yb1F 123.5(6) .
C30F O1F Yb1F 125.5(8) .
C33F O2F C32F 107.6(10) .
C33F O2F Yb1F 140.1(8) .
C32F O2F Yb1F 107.1(6) .
C35F O3F C34F 114.9(9) .
C35F O3F Yb1F 107.8(6) .
C34F O3F Yb1F 127.1(5) .
C37F O4F C36F 111.1(9) .
C37F O4F Yb1F 129.5(6) .
C36F O4F Yb1F 119.0(6) .
C1F N1F C18F 130.2(10) .
C1F N1F Yb1F 95.7(7) .
C18F N1F Yb1F 134.1(6) .
C1F N2F C2F 130.8(9) .
C1F N2F Yb1F 96.4(6) .
C2F N2F Yb1F 129.3(6) .
N2F C1F N1F 112.2(10) .
N2F C1F C14F 126.2(9) .
N1F C1F C14F 120.9(10) .
N2F C1F Yb1F 56.0(6) .
N1F C1F Yb1F 56.2(6) .
C14F C1F Yb1F 173.6(7) .
N2F C2F C3F 119.5(5) .
N2F C2F C7F 119.6(5) .
C3F C2F C7F 120.0 .
C2F C3F C4F 120.0 .
C2F C3F C8F 124.8(7) .
C4F C3F C8F 114.7(7) .
C5F C4F C3F 120.0 .
C4F C5F C6F 120.0 .
C7F C6F C5F 120.0 .
C6F C7F C2F 120.0 .
C6F C7F C11F 116.3(5) .
C2F C7F C11F 123.7(5) .
C10F C8F C3F 123.2(11) .
C10F C8F C9F 105.2(13) .
C3F C8F C9F 111.0(13) .
C13F C11F C7F 115.1(8) .
C13F C11F C12F 107.5(9) .
C7F C11F C12F 109.9(9) .
C15F C14F C16F 110.7(11) .
C15F C14F C17F 103.3(10) .
C16F C14F C17F 110.7(10) .
C15F C14F C1F 112.6(10) .
C16F C14F C1F 107.6(10) .
C17F C14F C1F 112.1(10) .
C19F C18F C23F 120.0 .
C19F C18F N1F 124.0(5) .
C23F C18F N1F 115.8(5) .
C20F C19F C18F 120.0 .
C20F C19F C24F 117.9(5) .
C18F C19F C24F 121.6(5) .
C19F C20F C21F 120.0 .
C22F C21F C20F 120.0 .
C21F C22F C23F 120.0 .
C22F C23F C18F 120.0 .
C22F C23F C27F 116.3(6) .
C18F C23F C27F 123.3(6) .
C25F C24F C19F 111.3(9) .
C25F C24F C26F 108.3(9) .
C19F C24F C26F 112.2(10) .
C29F C27F C28F 109.1(10) .
C29F C27F C23F 116.8(10) .
C28F C27F C23F 109.2(8) .
O1F C31F C32F 105.9(9) .
O2F C32F C31F 110.3(11) .
O2F C32F Yb1F 47.6(5) .
C31F C32F Yb1F 82.9(7) .
O3F C35F C36F 111.3(8) .
O3F C35F Yb1F 48.2(5) .
C36F C35F Yb1F 85.0(6) .
O4F C36F C35F 106.5(10) .
C2S C1S C6S 120.0 .
C4S C2S C1S 120.0 .
C2S C4S C3S 120.0 .
C5S C3S C4S 120.0 .
C3S C5S C6S 120.0 .
C5S C6S C1S 120.0 .
C10S O1S C7S 120.5(6) .
O1S C7S C8S 100.4(5) .
C9S C8S C7S 107.4(5) .
C8S C9S C10S 108.4(5) .
O1S C10S C9S 99.8(5) .
C11S C11S C12S 113.7(4) 2_556
C11S C12S C13S 113.9(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1A N4A 2.174(9) .
Yb1A N3A 2.188(7) .
Yb1A N1A 2.197(8) .
Yb1A N2A 2.232(7) .
Yb1A C28A 2.635(10) .
Yb1A C1A 2.669(10) .
Yb1A C2A 2.672(8) .
Yb1A C27A 2.684(9) .
N1A C1A 1.412(12) .
N1A C15A 1.464(13) .
N2A C3A 1.393(10) .
N2A C2A 1.440(14) .
N3A C27A 1.390(12) .
N3A C41A 1.411(10) .
N4A C29A 1.414(10) .
N4A C28A 1.447(12) .
C1A C2A 1.337(15) .
C3A C4A 1.3900 .
C3A C8A 1.3900 .
C4A C5A 1.3900 .
C4A C9A 1.477(15) .
C5A C6A 1.3900 .
C6A C7A 1.3900 .
C7A C8A 1.3900 .
C8A C12A 1.545(10) .
C9A C10A 1.531(16) .
C9A C11A 1.570(18) .
C12A C13A 1.523(14) .
C12A C14A 1.543(15) .
C15A C16A 1.335(12) .
C15A C20A 1.392(12) .
C16A C17A 1.396(17) .
C16A C21A 1.538(13) .
C17A C18A 1.376(15) .
C18A C19A 1.428(15) .
C19A C20A 1.379(16) .
C20A C24A 1.472(14) .
C21A C22A 1.486(15) .
C21A C23A 1.563(14) .
C24A C25A 1.551(14) .
C24A C26A 1.602(15) .
C27A C28A 1.363(15) .
C29A C30A 1.3900 .
C29A C34A 1.3900 .
C30A C31A 1.3900 .
C30A C35A 1.539(13) .
C31A C32A 1.3900 .
C32A C33A 1.3900 .
C33A C34A 1.3900 .
C34A C38A 1.503(12) .
C35A C36A 1.500(13) .
C35A C37A 1.512(14) .
C38A C39A 1.517(17) .
C38A C40A 1.616(13) .
C41A C42A 1.3900 .
C41A C46A 1.3900 .
C42A C43A 1.3900 .
C42A C47A 1.454(12) .
C43A C44A 1.3900 .
C44A C45A 1.3900 .
C45A C46A 1.3900 .
C46A C50A 1.503(16) .
C47A C49A 1.488(13) .
C47A C48A 1.538(18) .
C50A C51A 1.562(19) .
C50A C52A 1.589(17) .
Yb1B N3B 2.168(8) .
Yb1B N1B 2.196(8) .
Yb1B N2B 2.197(8) .
Yb1B N4B 2.202(9) .
Yb1B C27B 2.578(11) .
Yb1B C28B 2.604(11) .
Yb1B C2B 2.650(11) .
Yb1B C1B 2.672(10) .
N1B C1B 1.412(11) .
N1B C15B 1.464(9) .
N2B C3B 1.421(8) .
N2B C2B 1.451(13) .
N3B C27B 1.385(14) .
N3B C41B 1.430(10) .
N4B C28B 1.376(11) .
N4B C29B 1.447(11) .
C1B C2B 1.346(11) .
C3B C4B 1.3900 .
C3B C8B 1.3900 .
C4B C5B 1.3900 .
C4B C9B 1.519(11) .
C5B C6B 1.3900 .
C6B C7B 1.3900 .
C7B C8B 1.3900 .
C8B C12B 1.530(14) .
C9B C11B 1.513(14) .
C9B C10B 1.553(17) .
C12B C13B 1.556(17) .
C12B C14B 1.583(15) .
C15B C16B 1.3900 .
C15B C20B 1.3900 .
C16B C17B 1.3900 .
C16B C21B 1.623(11) .
C17B C18B 1.3900 .
C18B C19B 1.3900 .
C19B C20B 1.3900 .
C20B C24B 1.547(13) .
C21B C22B 1.533(16) .
C21B C23B 1.538(14) .
C24B C25B 1.534(19) .
C24B C26B 1.539(13) .
C27B C28B 1.353(16) .
C29B C30B 1.3900 .
C29B C34B 1.3900 .
C30B C31B 1.3900 .
C30B C35B 1.577(12) .
C31B C32B 1.3900 .
C32B C33B 1.3900 .
C33B C34B 1.3900 .
C34B C38B 1.457(13) .
C35B C36B 1.457(13) .
C35B C37B 1.519(14) .
C38B C40B 1.552(14) .
C38B C39B 1.578(15) .
C41B C42B 1.3900 .
C41B C46B 1.3900 .
C42B C43B 1.3900 .
C42B C47B 1.487(15) .
C43B C44B 1.3900 .
C44B C45B 1.3900 .
C45B C46B 1.3900 .
C46B C50B 1.521(11) .
C47B C49B 1.533(18) .
C47B C48B 1.553(16) .
C50B C51B 1.524(13) .
C50B C52B 1.554(13) .
Yb1C N1C 2.158(8) .
Yb1C N4C 2.168(9) .
Yb1C N3C 2.218(10) .
Yb1C N2C 2.226(13) .
Yb1C C2C 2.626(13) .
Yb1C C1C 2.627(12) .
Yb1C C27C 2.657(12) .
Yb1C C28C 2.662(11) .
N1C C1C 1.405(14) .
N1C C15C 1.422(9) .
N2C C2C 1.385(13) .
N2C C3C 1.403(12) .
N3C C41C 1.381(11) .
N3C C27C 1.426(12) .
N4C C28C 1.422(14) .
N4C C29C 1.448(11) .
C1C C2C 1.338(14) .
C3C C4C 1.3900 .
C3C C8C 1.3900 .
C4C C5C 1.3900 .
C4C C9C 1.547(17) .
C5C C6C 1.3900 .
C6C C7C 1.3900 .
C7C C8C 1.3900 .
C8C C12C 1.507(16) .
C9C C10C 1.474(19) .
C9C C11C 1.555(18) .
C12C C13C 1.49(2) .
C12C C14C 1.50(2) .
C15C C16C 1.3900 .
C15C C20C 1.3900 .
C16C C17C 1.3900 .
C16C C21C 1.532(17) .
C17C C18C 1.3900 .
C18C C19C 1.3900 .
C19C C20C 1.3900 .
C20C C24C 1.499(16) .
C21C C22C 1.554(19) .
C21C C23C 1.68(2) .
C24C C26C 1.546(19) .
C24C C25C 1.562(19) .
C27C C28C 1.370(15) .
C29C C30C 1.3900 .
C29C C34C 1.3900 .
C30C C31C 1.3900 .
C30C C35C 1.50(2) .
C31C C32C 1.3900 .
C32C C33C 1.3900 .
C33C C34C 1.3900 .
C34C C38C 1.478(19) .
C35C C36C 1.591(19) .
C35C C37C 1.70(3) .
C38C C40C 1.44(2) .
C38C C39C 1.46(2) .
C41C C42C 1.3900 .
C41C C46C 1.3900 .
C42C C43C 1.3900 .
C42C C47C 1.487(14) .
C43C C44C 1.3900 .
C44C C45C 1.3900 .
C45C C46C 1.3900 .
C46C C50C 1.479(16) .
C47C C49C 1.541(15) .
C47C C48C 1.629(18) .
C50C C52C 1.505(16) .
C50C C51C 1.513(15) .
Yb1D N2D 2.349(10) .
Yb1D O1D 2.406(9) .
Yb1D N1D 2.417(11) .
Yb1D O2D 2.450(11) .
Yb1D O3D 2.468(8) .
Yb1D O4D 2.526(9) .
Yb1D C1D 2.853(14) .
Yb1D C32D 3.105(18) .
Yb1D C35D 3.135(12) .
O1D C30D 1.342(17) .
O1D C31D 1.52(2) .
O2D C32D 1.217(15) .
O2D C33D 1.379(18) .
O3D C35D 1.398(14) .
O3D C34D 1.417(17) .
O4D C37D 1.431(13) .
O4D C36D 1.498(14) .
N1D C1D 1.268(16) .
N1D C18D 1.413(15) .
N2D C2D 1.364(12) .
N2D C1D 1.47(2) .
C1D C14D 1.557(19) .
C2D C3D 1.3900 .
C2D C7D 1.3900 .
C3D C4D 1.3900 .
C3D C8D 1.504(4) .
C4D C5D 1.3900 .
C5D C6D 1.3900 .
C6D C7D 1.3900 .
C7D C11D 1.509(4) .
C8D C9D 1.535(5) .
C8D C10D 1.538(5) .
C11D C13D 1.540(4) .
C11D C12D 1.542(5) .
C14D C15D 1.53(2) .
C14D C17D 1.58(2) .
C14D C16D 1.60(2) .
C18D C19D 1.3900 .
C18D C23D 1.3900 .
C19D C20D 1.3900 .
C19D C24D 1.555(15) .
C20D C21D 1.3900 .
C21D C22D 1.3900 .
C22D C23D 1.3900 .
C23D C27D 1.552(15) .
C24D C26D 1.482(16) .
C24D C25D 1.494(18) .
C27D C29D 1.560(18) .
C27D C28D 1.608(16) .
C31D C32D 1.513(19) .
C35D C36D 1.471(15) .
Yb1E N2E 2.398(9) .
Yb1E O2E 2.406(8) .
Yb1E N1E 2.445(9) .
Yb1E O3E 2.453(8) .
Yb1E O1E 2.510(8) .
Yb1E O4E 2.525(10) .
Yb1E C1E 2.883(11) .
Yb1E C31E 3.167(6) .
O1E C30E 1.394(18) .
O1E C31E 1.525(15) .
O2E C32E 1.449(14) .
O2E C33E 1.491(14) .
O3E C34E 1.332(15) .
O3E C35E 1.486(17) .
O4E C37E 1.405(15) .
O4E C36E 1.427(14) .
N1E C1E 1.332(13) .
N1E C18E 1.392(12) .
N2E C2E 1.361(12) .
N2E C1E 1.416(17) .
C1E C14E 1.531(16) .
C2E C3E 1.3900 .
C2E C7E 1.3900 .
C3E C4E 1.3900 .
C3E C8E 1.484(16) .
C4E C5E 1.3900 .
C5E C6E 1.3900 .
C6E C7E 1.3900 .
C7E C11E 1.445(17) .
C8E C10E 1.52(2) .
C8E C9E 1.585(17) .
C11E C12E 1.51(2) .
C11E C13E 1.56(2) .
C14E C15E 1.55(2) .
C14E C17E 1.587(17) .
C14E C16E 1.667(19) .
C18E C19E 1.3900 .
C18E C23E 1.3900 .
C19E C20E 1.3900 .
C19E C24E 1.586(15) .
C20E C21E 1.3900 .
C21E C22E 1.3900 .
C22E C23E 1.3900 .
C23E C27E 1.490(16) .
C24E C25E 1.361(16) .
C24E C26E 1.506(18) .
C27E C28E 1.549(18) .
C27E C29E 1.587(19) .
C31E C32E 1.388(16) .
C35E C36E 1.509(17) .
Yb1F N2F 2.390(9) .
Yb1F N1F 2.392(11) .
Yb1F O1F 2.397(9) .
Yb1F O4F 2.473(7) .
Yb1F O2F 2.480(8) .
Yb1F O3F 2.500(8) .
Yb1F C1F 2.864(12) .
Yb1F C35F 3.195(10) .
Yb1F C32F 3.209(14) .
O1F C31F 1.404(13) .
O1F C30F 1.468(17) .
O2F C33F 1.351(15) .
O2F C32F 1.432(17) .
O3F C35F 1.368(11) .
O3F C34F 1.387(14) .
O4F C37F 1.439(13) .
O4F C36F 1.441(13) .
N1F C1F 1.354(12) .
N1F C18F 1.445(10) .
N2F C1F 1.334(14) .
N2F C2F 1.385(9) .
C1F C14F 1.579(18) .
C2F C3F 1.3900 .
C2F C7F 1.3900 .
C3F C4F 1.3900 .
C3F C8F 1.476(14) .
C4F C5F 1.3900 .
C5F C6F 1.3900 .
C6F C7F 1.3900 .
C7F C11F 1.529(12) .
C8F C10F 1.39(2) .
C8F C9F 1.52(2) .
C11F C13F 1.493(15) .
C11F C12F 1.563(16) .
C14F C15F 1.480(17) .
C14F C16F 1.528(16) .
C14F C17F 1.568(14) .
C18F C19F 1.3900 .
C18F C23F 1.3900 .
C19F C20F 1.3900 .
C19F C24F 1.494(13) .
C20F C21F 1.3900 .
C21F C22F 1.3900 .
C22F C23F 1.3900 .
C23F C27F 1.536(11) .
C24F C25F 1.493(15) .
C24F C26F 1.582(17) .
C27F C29F 1.466(16) .
C27F C28F 1.519(17) .
C31F C32F 1.537(5) .
C35F C36F 1.511(15) .
C1S C2S 1.3900 .
C1S C6S 1.3900 .
C2S C4S 1.3900 .
C4S C3S 1.3900 .
C3S C5S 1.3900 .
C5S C6S 1.3900 .
O1S C10S 1.430(5) .
O1S C7S 1.431(4) .
C7S C8S 1.541(5) .
C8S C9S 1.539(5) .
C9S C10S 1.539(5) .
C11S C11S 1.537(4) 2_556
C11S C12S 1.537(4) .
C12S C13S 1.542(5) .
