#------------------------------------------------------------------------------
#$Date: 2025-10-16 02:20:31 +0300 (Thu, 16 Oct 2025) $
#$Revision: 302880 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/10/7251009.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_7251009
loop_
_publ_author_name
'Douib, Haiet'
'Lefeuvre, Bertrand'
'Flores Gonzalez, Jessica'
'Dorcet, Vincent'
'Pointillart, Fabrice'
_publ_section_title
;
 Versatility of the Methyl-Bipyrimidine-N-oxide Ligand for the Design of
 Lanthanide Single-Molecule Magnets
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D5CE00831J
_journal_year                    2025
_chemical_absolute_configuration rm/ad/rmad/syn/unk/.
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C93 H86 F42 N4 O13 Yb2'
_chemical_formula_sum            'C93 H86 F42 N4 O13 Yb2'
_chemical_formula_weight         2611.73
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2025-08-22 deposited with the CCDC.	2025-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1753(11)
_cell_length_b                   21.9101(12)
_cell_length_c                   23.9762(16)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.5092
_cell_measurement_theta_min      2.2796
_cell_measurement_wavelength     0.710730
_cell_volume                     10598.5(11)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2020)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 CCD-LDI-APEX2
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'APEXII Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_orient_matrix_UB_11      -0.0444237
_diffrn_orient_matrix_UB_12      -0.0184895
_diffrn_orient_matrix_UB_13      -0.0075307
_diffrn_orient_matrix_UB_21      0.0160099
_diffrn_orient_matrix_UB_22      -0.0144776
_diffrn_orient_matrix_UB_23      -0.0371891
_diffrn_orient_matrix_UB_31      0.0150650
_diffrn_orient_matrix_UB_32      -0.0391362
_diffrn_orient_matrix_UB_33      0.0173151
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.1116
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            47342
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         2.280
_exptl_absorpt_coefficient_mu    1.887
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_description       board
_exptl_crystal_F_000             5176
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.130
_refine_diff_density_max         2.888
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.140
_refine_ls_abs_structure_details
;
Flack x determined using 6054 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1435
_refine_ls_number_reflns         24066
_refine_ls_number_restraints     256
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0563P)²+2.2680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1345
_reflns_Friedel_coverage         0.842
_reflns_Friedel_fraction_full    0.990
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                17507
_reflns_number_total             24066
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5ce00831j2.cif
_cod_data_source_block           SL14
_cod_database_code               7251009
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.45209(2) 0.34375(2) 0.21951(2) 0.02260(11) Uani 1 1 d . . . . .
Yb2 Yb 0.78496(2) 0.31245(2) 0.28758(2) 0.02587(12) Uani 1 1 d . . . . .
O1 O 0.4511(4) 0.2503(3) 0.1809(3) 0.0329(19) Uani 1 1 d . . . . .
O2 O 0.5420(4) 0.3447(3) 0.1576(3) 0.0299(17) Uani 1 1 d . . . . .
O3 O 0.4204(3) 0.2978(3) 0.2970(3) 0.0284(18) Uani 1 1 d . . . . .
O4 O 0.3920(4) 0.4174(3) 0.2694(4) 0.031(2) Uani 1 1 d . . . . .
O5 O 0.4389(4) 0.4223(3) 0.1614(3) 0.0289(18) Uani 1 1 d . . . . .
O6 O 0.3458(4) 0.3311(3) 0.1876(3) 0.0304(18) Uani 1 1 d . . . . .
O7 O 0.5263(3) 0.4024(3) 0.2684(3) 0.0271(19) Uani 1 1 d . . . . .
O71 O 0.7812(4) 0.2460(3) 0.3583(4) 0.0340(19) Uani 1 1 d . . . . .
O72 O 0.7126(4) 0.3575(3) 0.3515(3) 0.0289(17) Uani 1 1 d . . . . .
O73 O 0.8194(4) 0.3387(3) 0.2016(3) 0.037(2) Uani 1 1 d . . . . .
O74 O 0.7999(4) 0.2220(3) 0.2398(3) 0.0307(19) Uani 1 1 d . . . . .
O75 O 0.8225(4) 0.4060(3) 0.3036(3) 0.034(2) Uani 1 1 d . . . . .
O76 O 0.8965(4) 0.2975(3) 0.3056(4) 0.038(2) Uani 1 1 d . . . . .
N1 N 0.5550(4) 0.2823(4) 0.2614(4) 0.026(2) Uani 1 1 d . . . . .
N2 N 0.6701(4) 0.2671(4) 0.2745(4) 0.023(2) Uani 1 1 d . . . . .
N3 N 0.6966(4) 0.3783(4) 0.2392(4) 0.028(2) Uani 1 1 d . U . . .
N4 N 0.5876(4) 0.4113(4) 0.2514(4) 0.025(2) Uani 1 1 d . U . . .
F1 F 0.3150(10) 0.1735(11) 0.1448(11) 0.095(3) Uani 0.57(3) 1 d D . P A 1
F2 F 0.3628(11) 0.2370(11) 0.0851(15) 0.095(3) Uani 0.57(3) 1 d D . P A 1
F3 F 0.3084(10) 0.1630(11) 0.0524(11) 0.095(3) Uani 0.57(3) 1 d D . P A 1
F4 F 0.3895(17) 0.0818(11) 0.1089(13) 0.106(8) Uani 0.57(3) 1 d D U P A 1
F5 F 0.437(2) 0.1471(19) 0.0453(18) 0.112(9) Uani 0.57(3) 1 d D . P A 1
C1 C 0.3500(16) 0.1780(15) 0.0921(15) 0.103(8) Uani 0.57(3) 1 d D U P A 1
C2 C 0.4073(16) 0.1406(15) 0.1023(17) 0.095(7) Uani 0.57(3) 1 d D U P A 1
F1B F 0.3365(14) 0.1711(14) 0.1632(13) 0.095(3) Uani 0.43(3) 1 d D . P A 2
F2B F 0.3479(15) 0.2334(15) 0.0909(19) 0.095(3) Uani 0.43(3) 1 d D . P A 2
F3B F 0.2911(13) 0.1520(15) 0.0800(15) 0.095(3) Uani 0.43(3) 1 d D . P A 2
F4B F 0.396(2) 0.0852(15) 0.0787(19) 0.106(8) Uani 0.43(3) 1 d D U P A 2
F5B F 0.428(3) 0.168(3) 0.037(3) 0.112(9) Uani 0.43(3) 1 d D . P A 2
C1B C 0.3458(16) 0.1739(17) 0.1028(17) 0.103(8) Uani 0.43(3) 1 d D U P A 2
C2B C 0.4077(18) 0.1436(18) 0.093(2) 0.095(7) Uani 0.43(3) 1 d D U P A 2
F6 F 0.5122(5) 0.1202(4) 0.1206(5) 0.095(4) Uani 1 1 d . . . . .
F7 F 0.4468(6) 0.1322(4) 0.1880(5) 0.097(4) Uani 1 1 d . . . . .
C3 C 0.4630(7) 0.1552(7) 0.1402(8) 0.060(5) Uani 1 1 d . . . . .
C4 C 0.4854(6) 0.2226(5) 0.1439(6) 0.037(3) Uani 1 1 d . . . . .
C5 C 0.5356(6) 0.2454(6) 0.1131(5) 0.035(3) Uani 1 1 d . . . . .
C6 C 0.5614(5) 0.3062(6) 0.1228(5) 0.030(3) Uani 1 1 d . . . . .
C7 C 0.6192(6) 0.3151(7) 0.0848(5) 0.040(3) Uani 1 1 d . . . . .
C8 C 0.6733(7) 0.2703(7) 0.1074(6) 0.049(4) Uani 1 1 d . . . . .
H8A H 0.716292 0.277518 0.088629 0.058 Uiso 1 1 calc R U . . .
H8B H 0.679251 0.275467 0.148093 0.058 Uiso 1 1 calc R U . . .
C9 C 0.6473(7) 0.2073(7) 0.0941(7) 0.061(5) Uani 1 1 d . . . . .
H9A H 0.642293 0.182585 0.128385 0.073 Uiso 1 1 calc R U . . .
H9B H 0.677022 0.185711 0.067871 0.073 Uiso 1 1 calc R U . . .
C10 C 0.5790(7) 0.2204(7) 0.0669(6) 0.055(4) Uani 1 1 d . . . . .
C11 C 0.6428(7) 0.3811(7) 0.0776(6) 0.055(4) Uani 1 1 d . . . . .
H11A H 0.606749 0.405786 0.062096 0.083 Uiso 1 1 calc R U . . .
H11B H 0.680790 0.381964 0.052116 0.083 Uiso 1 1 calc R U . . .
H11C H 0.655995 0.397610 0.113885 0.083 Uiso 1 1 calc R U . . .
C12 C 0.5921(8) 0.2787(8) 0.0328(6) 0.063(5) Uani 1 1 d . . . . .
C13 C 0.6486(9) 0.2720(9) -0.0152(7) 0.085(7) Uani 1 1 d . . . . .
H13A H 0.640733 0.234673 -0.036652 0.128 Uiso 1 1 calc R U . . .
H13B H 0.692436 0.269971 0.002359 0.128 Uiso 1 1 calc R U . . .
H13C H 0.646727 0.307406 -0.040132 0.128 Uiso 1 1 calc R U . . .
C14 C 0.5316(7) 0.3077(9) 0.0055(6) 0.071(5) Uani 1 1 d . . . . .
H14A H 0.508900 0.277327 -0.017583 0.106 Uiso 1 1 calc R U . . .
H14B H 0.545726 0.342018 -0.017918 0.106 Uiso 1 1 calc R U . . .
H14C H 0.501294 0.322556 0.034435 0.106 Uiso 1 1 calc R U . . .
F21 F 0.2750(5) 0.2632(4) 0.3001(4) 0.073(3) Uani 1 1 d . U . . .
F22 F 0.2474(6) 0.2501(5) 0.3901(5) 0.103(4) Uani 1 1 d . U . . .
F23 F 0.2420(5) 0.1752(4) 0.3276(5) 0.091(3) Uani 1 1 d . U . . .
F24 F 0.3397(4) 0.1629(3) 0.3993(4) 0.063(2) Uani 1 1 d . . . . .
F25 F 0.3705(5) 0.1809(4) 0.3113(5) 0.095(4) Uani 1 1 d . . . . .
F26 F 0.3722(6) 0.2714(3) 0.4347(3) 0.080(3) Uani 1 1 d . . . . .
F27 F 0.4489(4) 0.2288(3) 0.3871(4) 0.059(2) Uani 1 1 d . . . . .
C21 C 0.2760(10) 0.2224(8) 0.3423(9) 0.083(4) Uani 1 1 d . U . . .
C22 C 0.3425(9) 0.2074(7) 0.3623(8) 0.070(4) Uani 1 1 d . U . . .
C23 C 0.3912(7) 0.2585(5) 0.3839(6) 0.038(3) Uani 1 1 d . . . . .
C24 C 0.3967(5) 0.3137(5) 0.3452(5) 0.026(2) Uani 1 1 d . . . . .
C25 C 0.3769(6) 0.3707(5) 0.3593(5) 0.027(3) Uani 1 1 d . . . . .
C26 C 0.3747(6) 0.4193(5) 0.3199(5) 0.028(3) Uani 1 1 d . . . . .
C27 C 0.3464(6) 0.4736(5) 0.3476(5) 0.033(3) Uani 1 1 d . . . . .
C28 C 0.2719(6) 0.4575(6) 0.3550(5) 0.038(3) Uani 1 1 d . . . . .
H28A H 0.252698 0.441526 0.319976 0.045 Uiso 1 1 calc R U . . .
H28B H 0.246120 0.493493 0.367327 0.045 Uiso 1 1 calc R U . . .
C29 C 0.2737(6) 0.4068(6) 0.4017(6) 0.043(3) Uani 1 1 d . . . . .
H29A H 0.250220 0.420497 0.435689 0.051 Uiso 1 1 calc R U . . .
H29B H 0.253445 0.368366 0.388279 0.051 Uiso 1 1 calc R U . . .
C30 C 0.3488(6) 0.3985(5) 0.4129(5) 0.033(3) Uani 1 1 d . . . . .
C31 C 0.3580(7) 0.5342(5) 0.3167(5) 0.041(3) Uani 1 1 d . . . . .
H31A H 0.405036 0.545168 0.318793 0.062 Uiso 1 1 calc R U . . .
H31B H 0.331369 0.566443 0.334109 0.062 Uiso 1 1 calc R U . . .
H31C H 0.344965 0.529740 0.277547 0.062 Uiso 1 1 calc R U . . .
C32 C 0.3747(6) 0.4662(5) 0.4073(6) 0.037(3) Uani 1 1 d . . . . .
C33 C 0.4502(7) 0.4686(6) 0.4085(5) 0.044(3) Uani 1 1 d . . . . .
H33A H 0.465065 0.510218 0.400293 0.066 Uiso 1 1 calc R U . . .
H33B H 0.468120 0.440506 0.380539 0.066 Uiso 1 1 calc R U . . .
H33C H 0.465971 0.456607 0.445619 0.066 Uiso 1 1 calc R U . . .
C34 C 0.3465(8) 0.5084(6) 0.4496(5) 0.048(4) Uani 1 1 d . . . . .
H34A H 0.360903 0.495772 0.486875 0.072 Uiso 1 1 calc R U . . .
H34B H 0.297968 0.507258 0.447627 0.072 Uiso 1 1 calc R U . . .
H34C H 0.361939 0.550034 0.442203 0.072 Uiso 1 1 calc R U . . .
F41 F 0.4601(10) 0.5024(6) -0.0178(6) 0.0689(19) Uani 0.69(2) 1 d D . P B 1
F42 F 0.5187(8) 0.4911(6) 0.0623(8) 0.0689(19) Uani 0.69(2) 1 d D . P B 1
F43 F 0.4326(10) 0.4297(6) 0.0370(7) 0.0689(19) Uani 0.69(2) 1 d D . P B 1
F44 F 0.4329(11) 0.5855(8) 0.0569(7) 0.0689(19) Uani 0.69(2) 1 d D U P B 1
F45 F 0.3502(8) 0.5197(7) 0.0416(7) 0.0689(19) Uani 0.69(2) 1 d D U P B 1
C41 C 0.4548(15) 0.4870(10) 0.0347(10) 0.080(7) Uani 0.69(2) 1 d D U P B 1
C42 C 0.4149(13) 0.5281(9) 0.0690(9) 0.067(5) Uani 0.69(2) 1 d D U P B 1
F41B F 0.489(2) 0.5103(14) -0.0025(13) 0.0689(19) Uani 0.31(2) 1 d D . P B 2
F42B F 0.5223(15) 0.5017(14) 0.0892(16) 0.0689(19) Uani 0.31(2) 1 d D . P B 2
F43B F 0.464(2) 0.4327(13) 0.0474(14) 0.0689(19) Uani 0.31(2) 1 d D . P B 2
F44B F 0.432(3) 0.5873(16) 0.0691(16) 0.0689(19) Uani 0.31(2) 1 d D . P B 2
F45B F 0.3649(17) 0.5136(16) 0.0279(14) 0.0689(19) Uani 0.31(2) 1 d D . P B 2
C41B C 0.472(2) 0.4932(17) 0.0474(16) 0.080(7) Uani 0.31(2) 1 d D U P B 2
C42B C 0.4158(18) 0.5275(17) 0.0703(18) 0.067(5) Uani 0.31(2) 1 d D . P B 2
F46 F 0.3512(4) 0.5563(3) 0.1436(3) 0.051(2) Uani 1 1 d . . . . .
F47 F 0.4538(4) 0.5386(3) 0.1606(4) 0.060(2) Uani 1 1 d . . . . .
C43 C 0.4018(7) 0.5185(6) 0.1319(5) 0.037(3) Uani 1 1 d . . . . .
C44 C 0.3859(6) 0.4517(5) 0.1501(5) 0.031(3) Uani 1 1 d . . . . .
C45 C 0.3230(6) 0.4303(5) 0.1496(5) 0.030(3) Uani 1 1 d . . . . .
C46 C 0.3098(6) 0.3689(5) 0.1664(5) 0.028(3) Uani 1 1 d . . . . .
C47 C 0.2331(6) 0.3598(6) 0.1580(5) 0.037(3) Uani 1 1 d . . . . .
C48 C 0.2041(6) 0.3994(6) 0.2053(5) 0.045(3) Uani 1 1 d . . . . .
H48A H 0.226355 0.390622 0.241194 0.054 Uiso 1 1 calc R U . . .
H48B H 0.155913 0.392100 0.209535 0.054 Uiso 1 1 calc R U . . .
C49 C 0.2178(7) 0.4656(6) 0.1863(6) 0.049(3) Uani 1 1 d . . . . .
H49A H 0.175792 0.487922 0.179773 0.058 Uiso 1 1 calc R U . . .
H49B H 0.244114 0.487896 0.214581 0.058 Uiso 1 1 calc R U . . .
C50 C 0.2560(6) 0.4585(6) 0.1332(5) 0.040(3) Uani 1 1 d . . . . .
C51 C 0.2109(7) 0.2939(6) 0.1581(5) 0.044(3) Uani 1 1 d . . . . .
H51A H 0.226801 0.273874 0.192126 0.067 Uiso 1 1 calc R U . . .
H51B H 0.229179 0.273017 0.125414 0.067 Uiso 1 1 calc R U . . .
H51C H 0.162413 0.292173 0.156914 0.067 Uiso 1 1 calc R U . . .
C52 C 0.2225(6) 0.4003(6) 0.1067(5) 0.039(3) Uani 1 1 d . . . . .
C53 C 0.1462(7) 0.4108(8) 0.0944(7) 0.067(5) Uani 1 1 d . . . . .
H53A H 0.140744 0.446684 0.070444 0.100 Uiso 1 1 calc R U . . .
H53B H 0.122480 0.417238 0.129562 0.100 Uiso 1 1 calc R U . . .
H53C H 0.128029 0.374796 0.075441 0.100 Uiso 1 1 calc R U . . .
C54 C 0.2544(7) 0.3769(7) 0.0541(5) 0.045(3) Uani 1 1 d . . . . .
H54A H 0.300688 0.366187 0.061727 0.068 Uiso 1 1 calc R U . . .
H54B H 0.252707 0.408591 0.025347 0.068 Uiso 1 1 calc R U . . .
H54C H 0.230528 0.340625 0.041135 0.068 Uiso 1 1 calc R U . . .
C61 C 0.5449(5) 0.2227(5) 0.2730(5) 0.028(3) Uani 1 1 d . . . . .
H61 H 0.500789 0.207706 0.273802 0.034 Uiso 1 1 calc R U . . .
C62 C 0.5952(5) 0.1836(5) 0.2837(6) 0.034(3) Uani 1 1 d . . . . .
H62 H 0.587038 0.141511 0.290426 0.041 Uiso 1 1 calc R U . . .
C63 C 0.6588(5) 0.2068(4) 0.2844(5) 0.028(2) Uani 1 1 d . . . . .
H63 H 0.695122 0.180483 0.291951 0.034 Uiso 1 1 calc R U . . .
C64 C 0.6177(5) 0.3020(4) 0.2631(4) 0.017(2) Uani 1 1 d . U . . .
C65 C 0.6328(5) 0.3661(4) 0.2514(4) 0.019(2) Uani 1 1 d . U . . .
C66 C 0.7138(6) 0.4339(5) 0.2234(5) 0.038(3) Uani 1 1 d . U . . .
H66 H 0.758850 0.441516 0.214048 0.046 Uiso 1 1 calc R U . . .
C67 C 0.6686(6) 0.4816(5) 0.2200(7) 0.050(4) Uani 1 1 d . . . . .
C68 C 0.6041(6) 0.4682(5) 0.2344(6) 0.042(3) Uani 1 1 d . . . . .
H68 H 0.571089 0.499070 0.232317 0.050 Uiso 1 1 calc R U . . .
C69 C 0.6880(8) 0.5448(6) 0.2004(9) 0.083(7) Uani 1 1 d . . . . .
H69A H 0.668751 0.552394 0.163480 0.125 Uiso 1 1 calc R U . . .
H69B H 0.736407 0.547665 0.198056 0.125 Uiso 1 1 calc R U . . .
H69C H 0.671405 0.575236 0.226840 0.125 Uiso 1 1 calc R U . . .
F71 F 0.8877(11) 0.1664(10) 0.3489(7) 0.069(2) Uani 0.682(15) 1 d D . P C 1
F72 F 0.8931(8) 0.1973(8) 0.4343(7) 0.069(2) Uani 0.682(15) 1 d D . P C 1
F73 F 0.9136(6) 0.1054(7) 0.4160(7) 0.069(2) Uani 0.682(15) 1 d D . P C 1
C71 C 0.8755(13) 0.1466(9) 0.3991(9) 0.049(5) Uani 0.682(15) 1 d D . P C 1
F71B F 0.897(3) 0.158(2) 0.3580(15) 0.069(2) Uani 0.318(15) 1 d D . P C 2
F72B F 0.8835(18) 0.2221(14) 0.4261(15) 0.069(2) Uani 0.318(15) 1 d D . P C 2
F73B F 0.9170(13) 0.1366(15) 0.4475(14) 0.069(2) Uani 0.318(15) 1 d D . P C 2
C71B C 0.881(3) 0.1582(17) 0.4103(18) 0.049(5) Uani 0.318(15) 1 d D . P C 2
F74 F 0.7769(4) 0.1175(3) 0.3596(3) 0.0462(19) Uani 1 1 d . . . . .
F75 F 0.8013(4) 0.0847(3) 0.4452(3) 0.052(2) Uani 1 1 d . . . . .
F76 F 0.7786(4) 0.1897(3) 0.4885(3) 0.052(2) Uani 1 1 d . . . . .
F77 F 0.6955(3) 0.1505(3) 0.4393(3) 0.0491(19) Uani 1 1 d . . . . .
C72 C 0.8025(7) 0.1346(6) 0.4104(6) 0.045(3) Uani 1 1 d . . . . .
C73 C 0.7568(6) 0.1795(6) 0.4348(6) 0.044(3) Uani 1 1 d . . . . .
C74 C 0.7451(6) 0.2392(6) 0.4026(5) 0.037(3) Uani 1 1 d . . . . .
C75 C 0.7003(6) 0.2808(6) 0.4235(5) 0.037(3) Uani 1 1 d . . . . .
C76 C 0.6868(6) 0.3371(5) 0.3965(5) 0.028(3) Uani 1 1 d . . . . .
C77 C 0.6316(6) 0.3668(6) 0.4302(5) 0.035(3) Uani 1 1 d . . . . .
C78 C 0.5703(6) 0.3276(5) 0.4166(5) 0.034(3) Uani 1 1 d . . . . .
H78A H 0.566160 0.320753 0.375975 0.040 Uiso 1 1 calc R U . . .
H78B H 0.529242 0.347104 0.430564 0.040 Uiso 1 1 calc R U . . .
C79 C 0.5846(7) 0.2666(6) 0.4481(6) 0.046(4) Uani 1 1 d . . . . .
H79A H 0.551257 0.259089 0.477563 0.055 Uiso 1 1 calc R U . . .
H79B H 0.585121 0.231557 0.422046 0.055 Uiso 1 1 calc R U . . .
C80 C 0.6538(7) 0.2777(7) 0.4734(6) 0.046(4) Uani 1 1 d . . . . .
C81 C 0.6237(7) 0.4349(5) 0.4186(5) 0.041(3) Uani 1 1 d . . . . .
H81A H 0.661660 0.457024 0.434178 0.061 Uiso 1 1 calc R U . . .
H81B H 0.582775 0.449632 0.435989 0.061 Uiso 1 1 calc R U . . .
H81C H 0.621659 0.441710 0.378264 0.061 Uiso 1 1 calc R U . . .
C82 C 0.6507(7) 0.3463(7) 0.4905(5) 0.045(3) Uani 1 1 d . . . . .
C83 C 0.7162(8) 0.3732(9) 0.5100(7) 0.077(5) Uani 1 1 d . . . . .
H83A H 0.714602 0.417794 0.506672 0.115 Uiso 1 1 calc R U . . .
H83B H 0.752288 0.357273 0.486903 0.115 Uiso 1 1 calc R U . . .
H83C H 0.723812 0.362005 0.549050 0.115 Uiso 1 1 calc R U . . .
C84 C 0.5991(9) 0.3617(7) 0.5317(6) 0.068(5) Uani 1 1 d . . . . .
H84A H 0.605308 0.336891 0.565336 0.101 Uiso 1 1 calc R U . . .
H84B H 0.555236 0.353444 0.515828 0.101 Uiso 1 1 calc R U . . .
H84C H 0.602373 0.405052 0.541474 0.101 Uiso 1 1 calc R U . . .
F91 F 0.9087(7) 0.4621(7) 0.0494(8) 0.094(3) Uani 0.721(11) 1 d D . P D 1
F92 F 0.9921(8) 0.4071(8) 0.0513(7) 0.094(3) Uani 0.721(11) 1 d D . P D 1
F93 F 0.9948(9) 0.4817(8) 0.0996(8) 0.094(3) Uani 0.721(11) 1 d D . P D 1
F94 F 0.9792(7) 0.3649(7) 0.1511(7) 0.079(5) Uani 0.721(11) 1 d D . P D 1
F95 F 0.9059(10) 0.4397(8) 0.1711(8) 0.101(6) Uani 0.721(11) 1 d D U P D 1
C91 C 0.9497(13) 0.4427(12) 0.0844(9) 0.080(7) Uani 0.721(11) 1 d D . P D 1
C92 C 0.9265(12) 0.4012(10) 0.1299(9) 0.063(5) Uani 0.721(11) 1 d D . P D 1
F91B F 0.9026(17) 0.4926(16) 0.0991(18) 0.094(3) Uani 0.279(11) 1 d D . P D 2
F92B F 0.962(2) 0.4368(19) 0.0468(15) 0.094(3) Uani 0.279(11) 1 d D . P D 2
F93B F 1.004(2) 0.473(2) 0.1194(17) 0.094(3) Uani 0.279(11) 1 d D . P D 2
F94B F 0.9780(19) 0.3509(18) 0.1170(16) 0.079(5) Uani 0.279(11) 1 d D . P D 2
F95B F 0.934(3) 0.411(2) 0.1834(17) 0.101(6) Uani 0.279(11) 1 d D U P D 2
C91B C 0.947(2) 0.4536(18) 0.102(2) 0.080(7) Uani 0.279(11) 1 d D . P D 2
C92B C 0.928(2) 0.3942(17) 0.1290(19) 0.063(5) Uani 0.279(11) 1 d D . P D 2
F96 F 0.8843(5) 0.3299(4) 0.0683(3) 0.076(3) Uani 1 1 d . . . . .
F97 F 0.8164(4) 0.3941(5) 0.1052(4) 0.074(3) Uani 1 1 d . . . . .
C93 C 0.8694(7) 0.3591(7) 0.1162(6) 0.050(4) Uani 1 1 d . . . . .
C94 C 0.8500(6) 0.3137(6) 0.1628(5) 0.037(3) Uani 1 1 d . . . . .
C95 C 0.8637(6) 0.2517(6) 0.1586(6) 0.038(3) Uani 1 1 d . . . . .
C96 C 0.8350(6) 0.2104(5) 0.1984(5) 0.027(3) Uani 1 1 d . . . . .
C97 C 0.8516(6) 0.1457(5) 0.1794(5) 0.029(3) Uani 1 1 d . . . . .
C98 C 0.8087(6) 0.1402(6) 0.1230(5) 0.043(3) Uani 1 1 d . . . . .
H98A H 0.808403 0.097583 0.109264 0.052 Uiso 1 1 calc R U . . .
H98B H 0.762405 0.153409 0.129494 0.052 Uiso 1 1 calc R U . . .
C99 C 0.8431(7) 0.1824(7) 0.0812(5) 0.047(3) Uani 1 1 d . . . . .
H99A H 0.812009 0.213286 0.066211 0.056 Uiso 1 1 calc R U . . .
H99B H 0.862337 0.158966 0.049773 0.056 Uiso 1 1 calc R U . . .
C100 C 0.8979(7) 0.2125(6) 0.1167(6) 0.049(4) Uani 1 1 d . . . . .
C101 C 0.8408(6) 0.0964(5) 0.2199(6) 0.041(3) Uani 1 1 d . . . . .
H10A H 0.867391 0.104091 0.253348 0.062 Uiso 1 1 calc R U . . .
H10B H 0.854035 0.057374 0.203285 0.062 Uiso 1 1 calc R U . . .
H10C H 0.793775 0.094827 0.229977 0.062 Uiso 1 1 calc R U . . .
C102 C 0.9222(7) 0.1579(6) 0.1542(6) 0.046(3) Uani 1 1 d . . . . .
C103 C 0.9722(6) 0.1761(7) 0.1980(6) 0.058(4) Uani 1 1 d . . . . .
H10D H 0.976066 0.143468 0.225782 0.087 Uiso 1 1 calc R U . . .
H10E H 0.957472 0.213730 0.216416 0.087 Uiso 1 1 calc R U . . .
H10F H 1.015332 0.183002 0.180414 0.087 Uiso 1 1 calc R U . . .
C104 C 0.9479(8) 0.1045(7) 0.1205(6) 0.061(4) Uani 1 1 d . . . . .
H10G H 0.991033 0.115002 0.104377 0.091 Uiso 1 1 calc R U . . .
H10H H 0.916534 0.095000 0.090552 0.091 Uiso 1 1 calc R U . . .
H10I H 0.952800 0.068851 0.144892 0.091 Uiso 1 1 calc R U . . .
F111 F 0.9068(6) 0.5213(6) 0.4198(6) 0.115(3) Uani 0.874(9) 1 d D . P E 1
F112 F 0.7974(7) 0.5467(6) 0.4475(5) 0.115(3) Uani 0.874(9) 1 d D . P E 1
F113 F 0.8186(7) 0.4550(5) 0.4226(6) 0.115(3) Uani 0.874(9) 1 d D . P E 1
F114 F 0.8402(9) 0.5929(5) 0.3573(7) 0.125(7) Uani 0.874(9) 1 d D . P E 1
F115 F 0.7576(5) 0.5164(5) 0.3533(7) 0.098(5) Uani 0.874(9) 1 d D . P E 1
C111 C 0.8407(10) 0.5116(9) 0.4209(9) 0.138(11) Uani 0.874(9) 1 d D U P E 1
C112 C 0.8265(9) 0.5282(8) 0.3606(9) 0.103(8) Uani 0.874(9) 1 d D U P E 1
F211 F 0.962(2) 0.497(3) 0.400(3) 0.115(3) Uani 0.126(9) 1 d D . P E 2
F212 F 0.888(4) 0.536(3) 0.4609(15) 0.115(3) Uani 0.126(9) 1 d D . P E 2
F213 F 0.874(4) 0.444(3) 0.431(3) 0.115(3) Uani 0.126(9) 1 d D . P E 2
F214 F 0.871(5) 0.586(3) 0.374(5) 0.125(7) Uani 0.126(9) 1 d D . P E 2
F215 F 0.794(3) 0.508(4) 0.391(4) 0.098(5) Uani 0.126(9) 1 d D . P E 2
C211 C 0.902(3) 0.497(2) 0.4223(12) 0.138(11) Uani 0.126(9) 1 d D U P E 2
C212 C 0.862(3) 0.521(3) 0.3738(12) 0.103(8) Uani 0.126(9) 1 d D U P E 2
F116 F 0.9343(4) 0.5252(3) 0.3116(4) 0.074(3) Uani 1 1 d . . . . .
F117 F 0.8414(4) 0.5183(3) 0.2692(4) 0.075(3) Uani 1 1 d . . . . .
C113 C 0.8754(6) 0.5001(5) 0.3158(6) 0.040(3) Uani 1 1 d D . . . .
C114 C 0.8776(6) 0.4310(6) 0.3157(6) 0.039(3) Uani 1 1 d . . . . .
C115 C 0.9356(6) 0.3986(6) 0.3292(6) 0.041(3) Uani 1 1 d . . . . .
C116 C 0.9408(6) 0.3345(5) 0.3215(5) 0.034(3) Uani 1 1 d . . . . .
C117 C 1.0124(5) 0.3175(7) 0.3345(6) 0.041(3) Uani 1 1 d . . . . .
C118 C 1.0512(6) 0.3447(6) 0.2841(7) 0.052(3) Uani 1 1 d . . . . .
H11D H 1.097610 0.330168 0.283645 0.062 Uiso 1 1 calc R U . . .
H11E H 1.029720 0.333826 0.248320 0.062 Uiso 1 1 calc R U . . .
C119 C 1.0479(7) 0.4147(7) 0.2945(7) 0.059(4) Uani 1 1 d . . . . .
H11F H 1.092621 0.431622 0.301652 0.071 Uiso 1 1 calc R U . . .
H11G H 1.027980 0.436125 0.262318 0.071 Uiso 1 1 calc R U . . .
C120 C 1.0032(6) 0.4202(6) 0.3471(7) 0.049(4) Uani 1 1 d . . . . .
C121 C 1.0245(6) 0.2505(6) 0.3435(7) 0.054(4) Uani 1 1 d . . . . .
H12A H 1.001994 0.237257 0.377640 0.081 Uiso 1 1 calc R U . . .
H12B H 1.072199 0.243112 0.347037 0.081 Uiso 1 1 calc R U . . .
H12C H 1.007136 0.227462 0.311637 0.081 Uiso 1 1 calc R U . . .
C122 C 1.0256(6) 0.3627(6) 0.3819(6) 0.041(3) Uani 1 1 d . . . . .
C123 C 1.0981(7) 0.3657(7) 0.3996(7) 0.065(5) Uani 1 1 d . . . . .
H12D H 1.105832 0.403247 0.420771 0.097 Uiso 1 1 calc R U . . .
H12E H 1.126397 0.365353 0.366397 0.097 Uiso 1 1 calc R U . . .
H12F H 1.108582 0.330291 0.422999 0.097 Uiso 1 1 calc R U . . .
C124 C 0.9830(7) 0.3526(7) 0.4327(6) 0.058(4) Uani 1 1 d . . . . .
H12G H 0.994162 0.313141 0.449599 0.087 Uiso 1 1 calc R U . . .
H12H H 0.936187 0.352635 0.421801 0.087 Uiso 1 1 calc R U . . .
H12I H 0.990980 0.385274 0.459745 0.087 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Yb1 O5 147.4(3) . . ?
O3 Yb1 O1 85.9(3) . . ?
O5 Yb1 O1 116.4(3) . . ?
O3 Yb1 O6 87.4(3) . . ?
O5 Yb1 O6 76.9(3) . . ?
O1 Yb1 O6 75.2(3) . . ?
O3 Yb1 O7 90.9(3) . . ?
O5 Yb1 O7 88.0(3) . . ?
O1 Yb1 O7 136.6(3) . . ?
O6 Yb1 O7 148.0(3) . . ?
O3 Yb1 O4 74.6(3) . . ?
O5 Yb1 O4 74.1(3) . . ?
O1 Yb1 O4 146.3(3) . . ?
O6 Yb1 O4 76.7(3) . . ?
O7 Yb1 O4 72.0(3) . . ?
O3 Yb1 O2 139.6(2) . . ?
O5 Yb1 O2 71.9(3) . . ?
O1 Yb1 O2 75.8(3) . . ?
O6 Yb1 O2 120.9(3) . . ?
O7 Yb1 O2 79.2(3) . . ?
O4 Yb1 O2 135.8(3) . . ?
O3 Yb1 N1 71.3(3) . . ?
O5 Yb1 N1 135.8(3) . . ?
O1 Yb1 N1 72.7(3) . . ?
O6 Yb1 N1 142.3(3) . . ?
O7 Yb1 N1 65.4(3) . . ?
O4 Yb1 N1 123.8(3) . . ?
O2 Yb1 N1 69.0(3) . . ?
O3 Yb1 C44 131.0(3) . . ?
O5 Yb1 C44 18.3(3) . . ?
O1 Yb1 C44 117.3(3) . . ?
O6 Yb1 C44 61.5(3) . . ?
O7 Yb1 C44 97.2(3) . . ?
O4 Yb1 C44 62.5(3) . . ?
O2 Yb1 C44 89.3(3) . . ?
N1 Yb1 C44 153.7(3) . . ?
O3 Yb1 C46 98.8(3) . . ?
O5 Yb1 C46 60.7(3) . . ?
O1 Yb1 C46 89.2(3) . . ?
O6 Yb1 C46 17.4(3) . . ?
O7 Yb1 C46 134.0(3) . . ?
O4 Yb1 C46 67.6(3) . . ?
O2 Yb1 C46 116.3(3) . . ?
N1 Yb1 C46 159.6(3) . . ?
C44 Yb1 C46 44.4(3) . . ?
O75 Yb2 O71 118.8(3) . . ?
O75 Yb2 O73 79.4(3) . . ?
O71 Yb2 O73 150.7(3) . . ?
O75 Yb2 O74 146.6(3) . . ?
O71 Yb2 O74 79.7(3) . . ?
O73 Yb2 O74 74.0(3) . . ?
O75 Yb2 O76 76.5(3) . . ?
O71 Yb2 O76 78.5(3) . . ?
O73 Yb2 O76 84.7(3) . . ?
O74 Yb2 O76 81.1(3) . . ?
O75 Yb2 O72 73.1(3) . . ?
O71 Yb2 O72 75.9(3) . . ?
O73 Yb2 O72 133.3(3) . . ?
O74 Yb2 O72 140.3(3) . . ?
O76 Yb2 O72 123.0(3) . . ?
O75 Yb2 N2 134.0(3) . . ?
O71 Yb2 N2 78.9(3) . . ?
O73 Yb2 N2 105.5(3) . . ?
O74 Yb2 N2 73.8(3) . . ?
O76 Yb2 N2 148.7(3) . . ?
O72 Yb2 N2 71.1(3) . . ?
O75 Yb2 N3 78.2(3) . . ?
O71 Yb2 N3 133.1(3) . . ?
O73 Yb2 N3 70.0(3) . . ?
O74 Yb2 N3 110.4(3) . . ?
O76 Yb2 N3 146.9(3) . . ?
O72 Yb2 N3 68.0(3) . . ?
N2 Yb2 N3 62.0(3) . . ?
C4 O1 Yb1 135.6(8) . . ?
C6 O2 Yb1 131.2(8) . . ?
C24 O3 Yb1 137.2(7) . . ?
C26 O4 Yb1 131.0(7) . . ?
C44 O5 Yb1 128.5(7) . . ?
C46 O6 Yb1 128.2(7) . . ?
N4 O7 Yb1 122.6(6) . . ?
C74 O71 Yb2 135.7(8) . . ?
C76 O72 Yb2 131.4(7) . . ?
C94 O73 Yb2 136.5(7) . . ?
C96 O74 Yb2 130.1(7) . . ?
C114 O75 Yb2 137.3(8) . . ?
C116 O76 Yb2 130.8(7) . . ?
C64 N1 C61 116.6(9) . . ?
C64 N1 Yb1 125.8(6) . . ?
C61 N1 Yb1 116.7(7) . . ?
C64 N2 C63 117.4(8) . . ?
C64 N2 Yb2 121.6(6) . . ?
C63 N2 Yb2 120.7(7) . . ?
C66 N3 C65 119.8(9) . . ?
C66 N3 Yb2 117.6(7) . . ?
C65 N3 Yb2 117.0(6) . . ?
O7 N4 C65 121.8(9) . . ?
O7 N4 C68 117.5(9) . . ?
C65 N4 C68 120.7(9) . . ?
F3 C1 F2 106(3) . . ?
F3 C1 C2 120(3) . . ?
F2 C1 C2 115(3) . . ?
F3 C1 F1 108(3) . . ?
F2 C1 F1 106(2) . . ?
C2 C1 F1 102(3) . . ?
F4 C2 C1 110(3) . . ?
F4 C2 C3 110(3) . . ?
C1 C2 C3 126(2) . . ?
F4 C2 F5 108(3) . . ?
C1 C2 F5 96(2) . . ?
C3 C2 F5 104(3) . . ?
F3B C1B F2B 107(3) . . ?
F3B C1B C2B 119(3) . . ?
F2B C1B C2B 113(3) . . ?
F3B C1B F1B 107(3) . . ?
F2B C1B F1B 105(3) . . ?
C2B C1B F1B 105(3) . . ?
F4B C2B C1B 109(3) . . ?
F4B C2B F5B 100(3) . . ?
C1B C2B F5B 102(3) . . ?
F4B C2B C3 117(3) . . ?
C1B C2B C3 114(3) . . ?
F5B C2B C3 113(4) . . ?
F7 C3 F6 105.9(14) . . ?
F7 C3 C2 106(2) . . ?
F6 C3 C2 102.8(16) . . ?
F7 C3 C4 113.3(12) . . ?
F6 C3 C4 110.6(13) . . ?
C2 C3 C4 117.7(18) . . ?
F7 C3 C2B 113(2) . . ?
F6 C3 C2B 100.0(16) . . ?
C4 C3 C2B 113.1(19) . . ?
O1 C4 C5 127.6(11) . . ?
O1 C4 C3 109.6(12) . . ?
C5 C4 C3 122.8(12) . . ?
C4 C5 C6 121.4(11) . . ?
C4 C5 C10 134.5(12) . . ?
C6 C5 C10 104.1(12) . . ?
O2 C6 C5 128.1(11) . . ?
O2 C6 C7 124.3(12) . . ?
C5 C6 C7 107.6(11) . . ?
C6 C7 C11 115.8(11) . . ?
C6 C7 C8 104.6(10) . . ?
C11 C7 C8 114.4(11) . . ?
C6 C7 C12 98.4(11) . . ?
C11 C7 C12 119.7(12) . . ?
C8 C7 C12 101.4(11) . . ?
C9 C8 C7 104.9(11) . . ?
C9 C8 H8A 110.8 . . ?
C7 C8 H8A 110.8 . . ?
C9 C8 H8B 110.8 . . ?
C7 C8 H8B 110.8 . . ?
H8A C8 H8B 108.8 . . ?
C8 C9 C10 103.2(12) . . ?
C8 C9 H9A 111.1 . . ?
C10 C9 H9A 111.1 . . ?
C8 C9 H9B 111.1 . . ?
C10 C9 H9B 111.1 . . ?
H9A C9 H9B 109.1 . . ?
C5 C10 C12 100.8(11) . . ?
C5 C10 C9 105.9(11) . . ?
C12 C10 C9 103.0(14) . . ?
C7 C11 H11A 109.5 . . ?
C7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C10 116.0(15) . . ?
C14 C12 C7 114.0(13) . . ?
C10 C12 C7 93.4(11) . . ?
C14 C12 C13 107.1(12) . . ?
C10 C12 C13 114.9(13) . . ?
C7 C12 C13 111.2(13) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
F23 C21 F21 108.6(17) . . ?
F23 C21 F22 110.3(16) . . ?
F21 C21 F22 108.3(14) . . ?
F23 C21 C22 113.4(15) . . ?
F21 C21 C22 114.1(16) . . ?
F22 C21 C22 101.7(17) . . ?
F24 C22 C21 110.3(14) . . ?
F24 C22 F25 106.5(13) . . ?
C21 C22 F25 99.7(16) . . ?
F24 C22 C23 109.3(14) . . ?
C21 C22 C23 121.4(14) . . ?
F25 C22 C23 108.4(12) . . ?
F26 C23 F27 107.9(12) . . ?
F26 C23 C24 114.4(10) . . ?
F27 C23 C24 111.0(10) . . ?
F26 C23 C22 106.1(12) . . ?
F27 C23 C22 102.5(10) . . ?
C24 C23 C22 114.1(12) . . ?
O3 C24 C25 125.3(10) . . ?
O3 C24 C23 110.7(10) . . ?
C25 C24 C23 124.0(10) . . ?
C24 C25 C26 122.4(11) . . ?
C24 C25 C30 133.2(11) . . ?
C26 C25 C30 104.3(10) . . ?
O4 C26 C25 127.0(11) . . ?
O4 C26 C27 124.4(11) . . ?
C25 C26 C27 108.6(10) . . ?
C26 C27 C31 114.9(10) . . ?
C26 C27 C32 100.9(9) . . ?
C31 C27 C32 118.6(11) . . ?
C26 C27 C28 104.0(10) . . ?
C31 C27 C28 113.5(10) . . ?
C32 C27 C28 103.0(10) . . ?
C27 C28 C29 102.7(9) . . ?
C27 C28 H28A 111.2 . . ?
C29 C28 H28A 111.2 . . ?
C27 C28 H28B 111.2 . . ?
C29 C28 H28B 111.2 . . ?
H28A C28 H28B 109.1 . . ?
C30 C29 C28 103.2(10) . . ?
C30 C29 H29A 111.1 . . ?
C28 C29 H29A 111.1 . . ?
C30 C29 H29B 111.1 . . ?
C28 C29 H29B 111.1 . . ?
H29A C29 H29B 109.1 . . ?
C25 C30 C29 105.2(10) . . ?
C25 C30 C32 100.4(10) . . ?
C29 C30 C32 101.4(10) . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C34 C32 C33 110.3(11) . . ?
C34 C32 C27 115.1(11) . . ?
C33 C32 C27 112.5(11) . . ?
C34 C32 C30 113.6(11) . . ?
C33 C32 C30 111.1(10) . . ?
C27 C32 C30 93.2(9) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
F41 C41 F43 108.0(19) . . ?
F41 C41 F42 111(2) . . ?
F43 C41 F42 110(2) . . ?
F41 C41 C42 115(2) . . ?
F43 C41 C42 111.8(19) . . ?
F42 C41 C42 101.3(19) . . ?
F44 C42 C41 107.8(18) . . ?
F44 C42 F45 105.1(18) . . ?
C41 C42 F45 99.2(18) . . ?
F44 C42 C43 112.7(16) . . ?
C41 C42 C43 124.0(18) . . ?
F45 C42 C43 105.5(17) . . ?
F41B C41B F43B 109(3) . . ?
F41B C41B F42B 114(3) . . ?
F43B C41B F42B 102(3) . . ?
F41B C41B C42B 114(3) . . ?
F43B C41B C42B 115(3) . . ?
F42B C41B C42B 103(3) . . ?
F44B C42B C41B 108(3) . . ?
F44B C42B F45B 111(3) . . ?
C41B C42B F45B 100(3) . . ?
F44B C42B C43 101(3) . . ?
C41B C42B C43 116(3) . . ?
F45B C42B C43 121(3) . . ?
F47 C43 F46 106.7(10) . . ?
F47 C43 C42B 108.3(18) . . ?
F46 C43 C42B 105.4(16) . . ?
F47 C43 C44 109.2(10) . . ?
F46 C43 C44 111.3(10) . . ?
C42B C43 C44 115.6(17) . . ?
F47 C43 C42 109.0(14) . . ?
F46 C43 C42 104.4(12) . . ?
C44 C43 C42 115.8(12) . . ?
O5 C44 C45 127.7(11) . . ?
O5 C44 C43 111.1(11) . . ?
C45 C44 C43 121.1(11) . . ?
O5 C44 Yb1 33.2(5) . . ?
C45 C44 Yb1 98.0(8) . . ?
C43 C44 Yb1 139.1(8) . . ?
C44 C45 C46 120.0(11) . . ?
C44 C45 C50 133.4(11) . . ?
C46 C45 C50 106.6(10) . . ?
O6 C46 C45 130.4(11) . . ?
O6 C46 C47 123.9(11) . . ?
C45 C46 C47 105.4(10) . . ?
O6 C46 Yb1 34.4(5) . . ?
C45 C46 Yb1 96.1(7) . . ?
C47 C46 Yb1 156.3(8) . . ?
C51 C47 C52 120.9(11) . . ?
C51 C47 C48 115.0(11) . . ?
C52 C47 C48 102.2(10) . . ?
C51 C47 C46 114.3(10) . . ?
C52 C47 C46 99.7(10) . . ?
C48 C47 C46 102.0(10) . . ?
C47 C48 C49 104.1(10) . . ?
C47 C48 H48A 110.9 . . ?
C49 C48 H48A 110.9 . . ?
C47 C48 H48B 110.9 . . ?
C49 C48 H48B 110.9 . . ?
H48A C48 H48B 109.0 . . ?
C50 C49 C48 104.2(11) . . ?
C50 C49 H49A 110.9 . . ?
C48 C49 H49A 110.9 . . ?
C50 C49 H49B 110.9 . . ?
C48 C49 H49B 110.9 . . ?
H49A C49 H49B 108.9 . . ?
C49 C50 C45 106.1(10) . . ?
C49 C50 C52 101.9(11) . . ?
C45 C50 C52 98.9(10) . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C54 C52 C47 114.5(11) . . ?
C54 C52 C50 115.5(11) . . ?
C47 C52 C50 94.9(9) . . ?
C54 C52 C53 107.9(11) . . ?
C47 C52 C53 111.7(11) . . ?
C50 C52 C53 112.0(11) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N1 C61 C62 122.7(10) . . ?
N1 C61 H61 118.7 . . ?
C62 C61 H61 118.7 . . ?
C61 C62 C63 117.7(10) . . ?
C61 C62 H62 121.2 . . ?
C63 C62 H62 121.2 . . ?
N2 C63 C62 120.8(9) . . ?
N2 C63 H63 119.6 . . ?
C62 C63 H63 119.6 . . ?
N2 C64 N1 124.9(9) . . ?
N2 C64 C65 115.1(9) . . ?
N1 C64 C65 120.0(9) . . ?
N4 C65 N3 120.2(9) . . ?
N4 C65 C64 124.4(9) . . ?
N3 C65 C64 115.5(9) . . ?
N3 C66 C67 122.4(12) . . ?
N3 C66 H66 118.8 . . ?
C67 C66 H66 118.8 . . ?
C68 C67 C66 116.5(11) . . ?
C68 C67 C69 121.0(11) . . ?
C66 C67 C69 122.5(12) . . ?
N4 C68 C67 120.2(11) . . ?
N4 C68 H68 119.9 . . ?
C67 C68 H68 119.9 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
F73 C71 F71 115(2) . . ?
F73 C71 F72 102.3(16) . . ?
F71 C71 F72 103.7(17) . . ?
F73 C71 C72 114.4(17) . . ?
F71 C71 C72 114.0(17) . . ?
F72 C71 C72 105.5(18) . . ?
F73B C71B F71B 122(4) . . ?
F73B C71B F72B 99(3) . . ?
F71B C71B F72B 104(3) . . ?
F73B C71B C72 116(4) . . ?
F71B C71B C72 104(3) . . ?
F72B C71B C72 110(4) . . ?
F75 C72 F74 108.2(10) . . ?
F75 C72 C73 106.3(11) . . ?
F74 C72 C73 107.5(11) . . ?
F75 C72 C71 105.2(11) . . ?
F74 C72 C71 104.6(13) . . ?
C73 C72 C71 124.3(13) . . ?
F75 C72 C71B 105.3(15) . . ?
F74 C72 C71B 116.1(18) . . ?
C73 C72 C71B 112.9(18) . . ?
F76 C73 F77 106.5(10) . . ?
F76 C73 C72 106.2(11) . . ?
F77 C73 C72 106.4(11) . . ?
F76 C73 C74 112.3(11) . . ?
F77 C73 C74 106.9(10) . . ?
C72 C73 C74 117.8(11) . . ?
O71 C74 C75 126.2(11) . . ?
O71 C74 C73 115.0(11) . . ?
C75 C74 C73 118.7(11) . . ?
C74 C75 C76 122.3(11) . . ?
C74 C75 C80 131.5(12) . . ?
C76 C75 C80 106.1(11) . . ?
O72 C76 C75 127.6(11) . . ?
O72 C76 C77 126.5(10) . . ?
C75 C76 C77 105.7(10) . . ?
C76 C77 C81 113.5(10) . . ?
C76 C77 C78 103.7(9) . . ?
C81 C77 C78 115.0(10) . . ?
C76 C77 C82 100.8(10) . . ?
C81 C77 C82 118.4(11) . . ?
C78 C77 C82 103.4(10) . . ?
C77 C78 C79 103.1(10) . . ?
C77 C78 H78A 111.1 . . ?
C79 C78 H78A 111.1 . . ?
C77 C78 H78B 111.1 . . ?
C79 C78 H78B 111.1 . . ?
H78A C78 H78B 109.1 . . ?
C80 C79 C78 102.8(11) . . ?
C80 C79 H79A 111.2 . . ?
C78 C79 H79A 111.2 . . ?
C80 C79 H79B 111.2 . . ?
C78 C79 H79B 111.2 . . ?
H79A C79 H79B 109.1 . . ?
C75 C80 C79 104.8(11) . . ?
C75 C80 C82 101.0(11) . . ?
C79 C80 C82 102.6(12) . . ?
C77 C81 H81A 109.5 . . ?
C77 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C77 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C84 C82 C83 108.5(13) . . ?
C84 C82 C80 115.2(13) . . ?
C83 C82 C80 114.8(13) . . ?
C84 C82 C77 112.4(12) . . ?
C83 C82 C77 112.8(12) . . ?
C80 C82 C77 92.5(10) . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C82 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C82 C84 H84A 109.5 . . ?
C82 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C82 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
F91 C91 F93 115(2) . . ?
F91 C91 F92 102(2) . . ?
F93 C91 F92 95.6(19) . . ?
F91 C91 C92 119(2) . . ?
F93 C91 C92 114.5(19) . . ?
F92 C91 C92 105(2) . . ?
F95 C92 F94 108(2) . . ?
F95 C92 C91 104.2(18) . . ?
F94 C92 C91 111.5(18) . . ?
F95 C92 C93 107.6(16) . . ?
F94 C92 C93 107.9(15) . . ?
C91 C92 C93 116.8(19) . . ?
F91B C91B F93B 115(4) . . ?
F91B C91B F92B 107(4) . . ?
F93B C91B F92B 102(3) . . ?
F91B C91B C92B 115(3) . . ?
F93B C91B C92B 112(3) . . ?
F92B C91B C92B 104(3) . . ?
F95B C92B F94B 108(3) . . ?
F95B C92B C93 115(3) . . ?
F94B C92B C93 101(3) . . ?
F95B C92B C91B 99(3) . . ?
F94B C92B C91B 108(3) . . ?
C93 C92B C91B 125(3) . . ?
F97 C93 F96 106.3(12) . . ?
F97 C93 C92B 112.8(19) . . ?
F96 C93 C92B 105(2) . . ?
F97 C93 C92 107.6(14) . . ?
F96 C93 C92 107.8(13) . . ?
F97 C93 C94 107.9(10) . . ?
F96 C93 C94 111.4(12) . . ?
C92B C93 C94 113.5(19) . . ?
C92 C93 C94 115.4(13) . . ?
O73 C94 C95 125.7(11) . . ?
O73 C94 C93 112.4(11) . . ?
C95 C94 C93 121.9(12) . . ?
C94 C95 C96 119.2(11) . . ?
C94 C95 C100 134.7(12) . . ?
C96 C95 C100 105.7(10) . . ?
O74 C96 C95 129.0(11) . . ?
O74 C96 C97 123.6(10) . . ?
C95 C96 C97 107.3(10) . . ?
C101 C97 C96 116.9(10) . . ?
C101 C97 C102 121.0(11) . . ?
C96 C97 C102 99.0(9) . . ?
C101 C97 C98 114.8(10) . . ?
C96 C97 C98 101.7(9) . . ?
C102 C97 C98 100.2(9) . . ?
C99 C98 C97 105.1(10) . . ?
C99 C98 H98A 110.7 . . ?
C97 C98 H98A 110.7 . . ?
C99 C98 H98B 110.7 . . ?
C97 C98 H98B 110.7 . . ?
H98A C98 H98B 108.8 . . ?
C98 C99 C100 102.8(10) . . ?
C98 C99 H99A 111.2 . . ?
C100 C99 H99A 111.2 . . ?
C98 C99 H99B 111.2 . . ?
C100 C99 H99B 111.2 . . ?
H99A C99 H99B 109.1 . . ?
C95 C100 C99 106.8(11) . . ?
C95 C100 C102 101.4(11) . . ?
C99 C100 C102 102.3(11) . . ?
C97 C101 H10A 109.5 . . ?
C97 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C97 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
C103 C102 C104 110.3(12) . . ?
C103 C102 C97 112.4(11) . . ?
C104 C102 C97 112.6(12) . . ?
C103 C102 C100 113.8(12) . . ?
C104 C102 C100 113.0(12) . . ?
C97 C102 C100 93.8(10) . . ?
C102 C103 H10D 109.5 . . ?
C102 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
C102 C104 H10G 109.5 . . ?
C102 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C102 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
F113 C111 F112 107.9(15) . . ?
F113 C111 F111 119.0(18) . . ?
F112 C111 F111 124.6(18) . . ?
F113 C111 C112 100.9(14) . . ?
F112 C111 C112 101.2(15) . . ?
F111 C111 C112 97.4(13) . . ?
F115 C112 F114 110.9(15) . . ?
F115 C112 C111 104.9(14) . . ?
F114 C112 C111 104.6(15) . . ?
F115 C112 C113 117.0(15) . . ?
F114 C112 C113 103.0(14) . . ?
C111 C112 C113 115.8(13) . . ?
F213 C211 F212 112(3) . . ?
F213 C211 F211 118(3) . . ?
F212 C211 F211 119(3) . . ?
F213 C211 C212 101.2(17) . . ?
F212 C211 C212 101.0(17) . . ?
F211 C211 C212 100.5(16) . . ?
F214 C212 F215 109(4) . . ?
F214 C212 C113 106(7) . . ?
F215 C212 C113 112(6) . . ?
F214 C212 C211 106(4) . . ?
F215 C212 C211 103(3) . . ?
C113 C212 C211 120(3) . . ?
F116 C113 F117 105.6(11) . . ?
F116 C113 C212 96(3) . . ?
F117 C113 C212 125(2) . . ?
F116 C113 C114 113.1(11) . . ?
F117 C113 C114 107.8(10) . . ?
C212 C113 C114 108(3) . . ?
F116 C113 C112 116.9(11) . . ?
F117 C113 C112 97.3(12) . . ?
C114 C113 C112 114.1(11) . . ?
O75 C114 C115 124.1(11) . . ?
O75 C114 C113 113.9(11) . . ?
C115 C114 C113 122.0(12) . . ?
C114 C115 C116 122.1(12) . . ?
C114 C115 C120 131.3(12) . . ?
C116 C115 C120 106.3(11) . . ?
O76 C116 C115 128.3(11) . . ?
O76 C116 C117 125.0(10) . . ?
C115 C116 C117 106.6(11) . . ?
C121 C117 C116 115.0(11) . . ?
C121 C117 C122 119.9(12) . . ?
C116 C117 C122 99.1(10) . . ?
C121 C117 C118 113.8(11) . . ?
C116 C117 C118 102.9(10) . . ?
C122 C117 C118 103.9(11) . . ?
C119 C118 C117 103.4(12) . . ?
C119 C118 H11D 111.1 . . ?
C117 C118 H11D 111.1 . . ?
C119 C118 H11E 111.1 . . ?
C117 C118 H11E 111.1 . . ?
H11D C118 H11E 109.0 . . ?
C120 C119 C118 103.4(12) . . ?
C120 C119 H11F 111.1 . . ?
C118 C119 H11F 111.1 . . ?
C120 C119 H11G 111.1 . . ?
C118 C119 H11G 111.1 . . ?
H11F C119 H11G 109.0 . . ?
C115 C120 C119 105.7(12) . . ?
C115 C120 C122 99.1(10) . . ?
C119 C120 C122 101.6(11) . . ?
C117 C121 H12A 109.5 . . ?
C117 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C117 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C124 C122 C123 109.2(12) . . ?
C124 C122 C117 113.9(11) . . ?
C123 C122 C117 113.6(11) . . ?
C124 C122 C120 112.5(12) . . ?
C123 C122 C120 112.8(11) . . ?
C117 C122 C120 94.3(10) . . ?
C122 C123 H12D 109.5 . . ?
C122 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C122 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C122 C124 H12G 109.5 . . ?
C122 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C122 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Yb1 O3 2.207(7) . ?
Yb1 O5 2.229(7) . ?
Yb1 O1 2.247(7) . ?
Yb1 O6 2.293(7) . ?
Yb1 O7 2.294(7) . ?
Yb1 O4 2.345(8) . ?
Yb1 O2 2.345(7) . ?
Yb1 N1 2.670(9) . ?
Yb1 C44 3.187(11) . ?
Yb1 C46 3.188(11) . ?
Yb2 O75 2.218(8) . ?
Yb2 O71 2.236(8) . ?
Yb2 O73 2.250(8) . ?
Yb2 O74 2.309(8) . ?
Yb2 O76 2.314(8) . ?
Yb2 O72 2.336(8) . ?
Yb2 N2 2.541(8) . ?
Yb2 N3 2.570(9) . ?
O1 C4 1.278(14) . ?
O2 C6 1.247(13) . ?
O3 C24 1.299(13) . ?
O4 C26 1.263(14) . ?
O5 C44 1.279(13) . ?
O6 C46 1.213(12) . ?
O7 N4 1.316(11) . ?
O71 C74 1.295(14) . ?
O72 C76 1.278(13) . ?
O73 C94 1.246(14) . ?
O74 C96 1.246(13) . ?
O75 C114 1.275(15) . ?
O76 C116 1.265(14) . ?
N1 C64 1.337(13) . ?
N1 C61 1.350(12) . ?
N2 C64 1.334(12) . ?
N2 C63 1.360(12) . ?
N3 C66 1.323(13) . ?
N3 C65 1.347(13) . ?
N4 C65 1.345(13) . ?
N4 C68 1.354(14) . ?
F1 C1 1.45(3) . ?
F2 C1 1.33(3) . ?
F3 C1 1.31(2) . ?
F4 C2 1.35(3) . ?
F5 C2 1.50(3) . ?
C1 C2 1.44(3) . ?
C2 C3 1.48(4) . ?
F1B C1B 1.46(3) . ?
F2B C1B 1.33(3) . ?
F3B C1B 1.32(3) . ?
F4B C2B 1.35(3) . ?
F5B C2B 1.50(3) . ?
C1B C2B 1.43(3) . ?
C2B C3 1.61(4) . ?
F6 C3 1.340(16) . ?
F7 C3 1.294(19) . ?
C3 C4 1.545(19) . ?
C4 C5 1.351(18) . ?
C5 C6 1.449(17) . ?
C5 C10 1.514(18) . ?
C6 C7 1.493(16) . ?
C7 C11 1.53(2) . ?
C7 C8 1.565(17) . ?
C7 C12 1.58(2) . ?
C8 C9 1.51(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.549(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C12 1.54(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.52(2) . ?
C12 C13 1.63(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
F21 C21 1.350(19) . ?
F22 C21 1.42(2) . ?
F23 C21 1.289(19) . ?
F24 C22 1.320(18) . ?
F25 C22 1.47(2) . ?
F26 C23 1.308(14) . ?
F27 C23 1.335(15) . ?
C21 C22 1.46(3) . ?
C22 C23 1.58(2) . ?
C23 C24 1.529(16) . ?
C24 C25 1.354(15) . ?
C25 C26 1.423(16) . ?
C25 C30 1.532(16) . ?
C26 C27 1.476(15) . ?
C27 C31 1.538(16) . ?
C27 C32 1.549(18) . ?
C27 C28 1.554(17) . ?
C28 C29 1.576(18) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.550(17) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C32 1.578(16) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C34 1.486(16) . ?
C32 C33 1.525(19) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
F41 C41 1.31(2) . ?
F42 C41 1.45(3) . ?
F43 C41 1.34(2) . ?
F44 C42 1.339(19) . ?
F45 C42 1.47(2) . ?
C41 C42 1.46(3) . ?
C42 C43 1.54(2) . ?
F41B C41B 1.30(3) . ?
F42B C41B 1.45(3) . ?
F43B C41B 1.34(3) . ?
F44B C42B 1.35(2) . ?
F45B C42B 1.48(3) . ?
C41B C42B 1.46(3) . ?
C42B C43 1.52(4) . ?
F46 C43 1.344(14) . ?
F47 C43 1.328(15) . ?
C43 C44 1.561(17) . ?
C44 C45 1.352(16) . ?
C45 C46 1.431(16) . ?
C45 C50 1.539(16) . ?
C46 C47 1.573(16) . ?
C47 C51 1.512(17) . ?
C47 C52 1.531(17) . ?
C47 C48 1.544(17) . ?
C48 C49 1.545(18) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.496(18) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C52 1.576(18) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C54 1.506(17) . ?
C52 C53 1.586(18) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C61 C62 1.353(14) . ?
C61 H61 0.9500 . ?
C62 C63 1.381(14) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C64 C65 1.465(13) . ?
C66 C67 1.389(16) . ?
C66 H66 0.9500 . ?
C67 C68 1.379(17) . ?
C67 C69 1.514(17) . ?
C68 H68 0.9500 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
F71 C71 1.30(2) . ?
F72 C71 1.44(2) . ?
F73 C71 1.254(19) . ?
C71 C72 1.52(3) . ?
F71B C71B 1.30(3) . ?
F72B C71B 1.45(3) . ?
F73B C71B 1.25(3) . ?
C71B C72 1.66(6) . ?
F74 C72 1.375(15) . ?
F75 C72 1.375(14) . ?
F76 C73 1.380(15) . ?
F77 C73 1.396(14) . ?
C72 C73 1.468(18) . ?
C73 C74 1.537(17) . ?
C74 C75 1.378(17) . ?
C75 C76 1.420(16) . ?
C75 C80 1.521(18) . ?
C76 C77 1.522(16) . ?
C77 C81 1.524(17) . ?
C77 C78 1.541(16) . ?
C77 C82 1.562(17) . ?
C78 C79 1.562(17) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.542(19) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C82 1.56(2) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 C84 1.476(19) . ?
C82 C83 1.52(2) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
F91 C91 1.25(2) . ?
F92 C91 1.40(3) . ?
F93 C91 1.30(2) . ?
F94 C92 1.42(2) . ?
F95 C92 1.36(2) . ?
C91 C92 1.496(18) . ?
C92 C93 1.51(3) . ?
F91B C91B 1.24(3) . ?
F92B C91B 1.40(4) . ?
F93B C91B 1.30(3) . ?
F94B C92B 1.42(3) . ?
F95B C92B 1.36(3) . ?
C91B C92B 1.51(3) . ?
C92B C93 1.44(5) . ?
F96 C93 1.350(16) . ?
F97 C93 1.342(15) . ?
C93 C94 1.546(17) . ?
C94 C95 1.389(17) . ?
C95 C96 1.437(16) . ?
C95 C100 1.490(18) . ?
C96 C97 1.525(15) . ?
C97 C101 1.469(16) . ?
C97 C102 1.569(17) . ?
C97 C98 1.610(17) . ?
C98 C99 1.532(18) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 C100 1.54(2) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 C102 1.574(19) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 C103 1.511(18) . ?
C102 C104 1.513(18) . ?
C103 H10D 0.9800 . ?
C103 H10E 0.9800 . ?
C103 H10F 0.9800 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
F111 C111 1.351(18) . ?
F112 C111 1.327(17) . ?
F113 C111 1.318(18) . ?
F114 C112 1.45(2) . ?
F115 C112 1.43(2) . ?
C111 C112 1.519(19) . ?
C112 C113 1.585(16) . ?
F211 C211 1.31(2) . ?
F212 C211 1.30(2) . ?
F213 C211 1.30(2) . ?
F214 C212 1.44(3) . ?
F215 C212 1.45(3) . ?
C211 C212 1.52(2) . ?
C212 C113 1.49(3) . ?
F116 C113 1.314(14) . ?
F117 C113 1.369(15) . ?
C113 C114 1.513(17) . ?
C114 C115 1.406(18) . ?
C115 C116 1.419(17) . ?
C115 C120 1.507(18) . ?
C116 C117 1.524(15) . ?
C117 C121 1.503(19) . ?
C117 C122 1.531(18) . ?
C117 C118 1.560(19) . ?
C118 C119 1.553(18) . ?
C118 H11D 0.9900 . ?
C118 H11E 0.9900 . ?
C119 C120 1.55(2) . ?
C119 H11F 0.9900 . ?
C119 H11G 0.9900 . ?
C120 C122 1.577(19) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C122 C124 1.507(19) . ?
C122 C123 1.525(17) . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb1 O7 N4 C65 -69.4(11) . . . . ?
Yb1 O7 N4 C68 111.5(10) . . . . ?
F3 C1 C2 F4 -52(5) . . . . ?
F2 C1 C2 F4 180(3) . . . . ?
F1 C1 C2 F4 66(3) . . . . ?
F3 C1 C2 C3 172(4) . . . . ?
F2 C1 C2 C3 44(5) . . . . ?
F1 C1 C2 C3 -70(4) . . . . ?
F3 C1 C2 F5 59(4) . . . . ?
F2 C1 C2 F5 -68(4) . . . . ?
F1 C1 C2 F5 178(3) . . . . ?
F3B C1B C2B F4B -23(5) . . . . ?
F2B C1B C2B F4B -150(4) . . . . ?
F1B C1B C2B F4B 96(4) . . . . ?
F3B C1B C2B F5B 82(5) . . . . ?
F2B C1B C2B F5B -45(4) . . . . ?
F1B C1B C2B F5B -159(4) . . . . ?
F3B C1B C2B C3 -156(4) . . . . ?
F2B C1B C2B C3 77(4) . . . . ?
F1B C1B C2B C3 -36(4) . . . . ?
F4 C2 C3 F7 -46(3) . . . . ?
C1 C2 C3 F7 91(4) . . . . ?
F5 C2 C3 F7 -160.6(19) . . . . ?
F4 C2 C3 F6 65(3) . . . . ?
C1 C2 C3 F6 -158(3) . . . . ?
F5 C2 C3 F6 -50(2) . . . . ?
F4 C2 C3 C4 -173(2) . . . . ?
C1 C2 C3 C4 -37(4) . . . . ?
F5 C2 C3 C4 72(2) . . . . ?
F4B C2B C3 F7 -63(4) . . . . ?
C1B C2B C3 F7 66(3) . . . . ?
F5B C2B C3 F7 -178(2) . . . . ?
F4B C2B C3 F6 49(4) . . . . ?
C1B C2B C3 F6 178(3) . . . . ?
F5B C2B C3 F6 -66(3) . . . . ?
F4B C2B C3 C4 166(3) . . . . ?
C1B C2B C3 C4 -65(4) . . . . ?
F5B C2B C3 C4 52(3) . . . . ?
Yb1 O1 C4 C5 -3(2) . . . . ?
Yb1 O1 C4 C3 174.6(8) . . . . ?
F7 C3 C4 O1 -36.1(16) . . . . ?
F6 C3 C4 O1 -154.8(12) . . . . ?
C2 C3 C4 O1 88(2) . . . . ?
C2B C3 C4 O1 94(2) . . . . ?
F7 C3 C4 C5 141.5(14) . . . . ?
F6 C3 C4 C5 23(2) . . . . ?
C2 C3 C4 C5 -95(2) . . . . ?
C2B C3 C4 C5 -88(2) . . . . ?
O1 C4 C5 C6 6(2) . . . . ?
C3 C4 C5 C6 -171.5(11) . . . . ?
O1 C4 C5 C10 -177.3(13) . . . . ?
C3 C4 C5 C10 5(2) . . . . ?
Yb1 O2 C6 C5 -5.1(17) . . . . ?
Yb1 O2 C6 C7 177.8(8) . . . . ?
C4 C5 C6 O2 -1.5(19) . . . . ?
C10 C5 C6 O2 -179.3(11) . . . . ?
C4 C5 C6 C7 176.0(11) . . . . ?
C10 C5 C6 C7 -1.8(12) . . . . ?
O2 C6 C7 C11 -17.2(17) . . . . ?
C5 C6 C7 C11 165.2(11) . . . . ?
O2 C6 C7 C8 109.7(13) . . . . ?
C5 C6 C7 C8 -67.9(12) . . . . ?
O2 C6 C7 C12 -146.1(12) . . . . ?
C5 C6 C7 C12 36.3(12) . . . . ?
C6 C7 C8 C9 69.5(13) . . . . ?
C11 C7 C8 C9 -162.7(12) . . . . ?
C12 C7 C8 C9 -32.4(14) . . . . ?
C7 C8 C9 C10 -2.1(15) . . . . ?
C4 C5 C10 C12 148.0(15) . . . . ?
C6 C5 C10 C12 -34.6(13) . . . . ?
C4 C5 C10 C9 -105.0(17) . . . . ?
C6 C5 C10 C9 72.4(14) . . . . ?
C8 C9 C10 C5 -68.3(15) . . . . ?
C8 C9 C10 C12 37.1(14) . . . . ?
C5 C10 C12 C14 -64.4(15) . . . . ?
C9 C10 C12 C14 -173.7(12) . . . . ?
C5 C10 C12 C7 54.4(11) . . . . ?
C9 C10 C12 C7 -54.9(11) . . . . ?
C5 C10 C12 C13 169.6(12) . . . . ?
C9 C10 C12 C13 60.4(16) . . . . ?
C6 C7 C12 C14 66.0(16) . . . . ?
C11 C7 C12 C14 -60.2(18) . . . . ?
C8 C7 C12 C14 172.8(13) . . . . ?
C6 C7 C12 C10 -54.4(11) . . . . ?
C11 C7 C12 C10 179.3(11) . . . . ?
C8 C7 C12 C10 52.4(12) . . . . ?
C6 C7 C12 C13 -172.7(12) . . . . ?
C11 C7 C12 C13 61.0(16) . . . . ?
C8 C7 C12 C13 -65.9(15) . . . . ?
F23 C21 C22 F24 -49(2) . . . . ?
F21 C21 C22 F24 -173.7(14) . . . . ?
F22 C21 C22 F24 69.9(17) . . . . ?
F23 C21 C22 F25 63.2(19) . . . . ?
F21 C21 C22 F25 -61.9(18) . . . . ?
F22 C21 C22 F25 -178.3(10) . . . . ?
F23 C21 C22 C23 -178.2(15) . . . . ?
F21 C21 C22 C23 57(2) . . . . ?
F22 C21 C22 C23 -59.7(19) . . . . ?
F24 C22 C23 F26 -51.0(16) . . . . ?
C21 C22 C23 F26 79(2) . . . . ?
F25 C22 C23 F26 -166.8(12) . . . . ?
F24 C22 C23 F27 62.0(15) . . . . ?
C21 C22 C23 F27 -168.0(16) . . . . ?
F25 C22 C23 F27 -53.7(15) . . . . ?
F24 C22 C23 C24 -178.0(11) . . . . ?
C21 C22 C23 C24 -48(2) . . . . ?
F25 C22 C23 C24 66.3(15) . . . . ?
Yb1 O3 C24 C25 8.0(17) . . . . ?
Yb1 O3 C24 C23 -174.4(7) . . . . ?
F26 C23 C24 O3 175.3(11) . . . . ?
F27 C23 C24 O3 53.0(13) . . . . ?
C22 C23 C24 O3 -62.2(14) . . . . ?
F26 C23 C24 C25 -7.0(18) . . . . ?
F27 C23 C24 C25 -129.3(12) . . . . ?
C22 C23 C24 C25 115.4(14) . . . . ?
O3 C24 C25 C26 5.8(18) . . . . ?
C23 C24 C25 C26 -171.5(11) . . . . ?
O3 C24 C25 C30 -179.3(11) . . . . ?
C23 C24 C25 C30 3(2) . . . . ?
Yb1 O4 C26 C25 -12.4(18) . . . . ?
Yb1 O4 C26 C27 169.3(8) . . . . ?
C24 C25 C26 O4 -2.7(19) . . . . ?
C30 C25 C26 O4 -178.9(11) . . . . ?
C24 C25 C26 C27 175.8(10) . . . . ?
C30 C25 C26 C27 -0.4(13) . . . . ?
O4 C26 C27 C31 -17.6(17) . . . . ?
C25 C26 C27 C31 163.9(11) . . . . ?
O4 C26 C27 C32 -146.4(12) . . . . ?
C25 C26 C27 C32 35.0(12) . . . . ?
O4 C26 C27 C28 107.1(13) . . . . ?
C25 C26 C27 C28 -71.5(12) . . . . ?
C26 C27 C28 C29 70.8(11) . . . . ?
C31 C27 C28 C29 -163.7(10) . . . . ?
C32 C27 C28 C29 -34.1(11) . . . . ?
C27 C28 C29 C30 -2.4(12) . . . . ?
C24 C25 C30 C29 -104.2(15) . . . . ?
C26 C25 C30 C29 71.3(11) . . . . ?
C24 C25 C30 C32 150.8(13) . . . . ?
C26 C25 C30 C32 -33.6(12) . . . . ?
C28 C29 C30 C25 -67.0(11) . . . . ?
C28 C29 C30 C32 37.2(12) . . . . ?
C26 C27 C32 C34 -170.1(11) . . . . ?
C31 C27 C32 C34 63.6(15) . . . . ?
C28 C27 C32 C34 -62.8(13) . . . . ?
C26 C27 C32 C33 62.3(12) . . . . ?
C31 C27 C32 C33 -64.0(14) . . . . ?
C28 C27 C32 C33 169.6(9) . . . . ?
C26 C27 C32 C30 -52.1(10) . . . . ?
C31 C27 C32 C30 -178.5(10) . . . . ?
C28 C27 C32 C30 55.2(10) . . . . ?
C25 C30 C32 C34 171.0(11) . . . . ?
C29 C30 C32 C34 63.0(14) . . . . ?
C25 C30 C32 C33 -63.9(12) . . . . ?
C29 C30 C32 C33 -171.9(10) . . . . ?
C25 C30 C32 C27 51.8(10) . . . . ?
C29 C30 C32 C27 -56.3(11) . . . . ?
F41 C41 C42 F44 -46(3) . . . . ?
F43 C41 C42 F44 -169(2) . . . . ?
F42 C41 C42 F44 74(2) . . . . ?
F41 C41 C42 F45 64(2) . . . . ?
F43 C41 C42 F45 -60(2) . . . . ?
F42 C41 C42 F45 -176.8(15) . . . . ?
F41 C41 C42 C43 180(2) . . . . ?
F43 C41 C42 C43 56(3) . . . . ?
F42 C41 C42 C43 -61(3) . . . . ?
F41B C41B C42B F44B -56(4) . . . . ?
F43B C41B C42B F44B 178(4) . . . . ?
F42B C41B C42B F44B 68(4) . . . . ?
F41B C41B C42B F45B 60(4) . . . . ?
F43B C41B C42B F45B -66(4) . . . . ?
F42B C41B C42B F45B -176(3) . . . . ?
F41B C41B C42B C43 -168(3) . . . . ?
F43B C41B C42B C43 65(4) . . . . ?
F42B C41B C42B C43 -44(3) . . . . ?
F44B C42B C43 F47 -53(3) . . . . ?
C41B C42B C43 F47 63(3) . . . . ?
F45B C42B C43 F47 -176(2) . . . . ?
F44B C42B C43 F46 61(3) . . . . ?
C41B C42B C43 F46 177(3) . . . . ?
F45B C42B C43 F46 -62(3) . . . . ?
F44B C42B C43 C44 -176(2) . . . . ?
C41B C42B C43 C44 -60(3) . . . . ?
F45B C42B C43 C44 62(3) . . . . ?
F44 C42 C43 F47 -52(2) . . . . ?
C41 C42 C43 F47 81(2) . . . . ?
F45 C42 C43 F47 -166.2(12) . . . . ?
F44 C42 C43 F46 62(2) . . . . ?
C41 C42 C43 F46 -165(2) . . . . ?
F45 C42 C43 F46 -52.4(16) . . . . ?
F44 C42 C43 C44 -175.5(16) . . . . ?
C41 C42 C43 C44 -43(3) . . . . ?
F45 C42 C43 C44 70.3(17) . . . . ?
Yb1 O5 C44 C45 -31.1(17) . . . . ?
Yb1 O5 C44 C43 152.8(7) . . . . ?
F47 C43 C44 O5 -35.0(14) . . . . ?
F46 C43 C44 O5 -152.6(10) . . . . ?
C42B C43 C44 O5 87.3(19) . . . . ?
C42 C43 C44 O5 88.4(16) . . . . ?
F47 C43 C44 C45 148.5(11) . . . . ?
F46 C43 C44 C45 31.0(16) . . . . ?
C42B C43 C44 C45 -89(2) . . . . ?
C42 C43 C44 C45 -88.0(17) . . . . ?
F47 C43 C44 Yb1 -12.5(17) . . . . ?
F46 C43 C44 Yb1 -130.1(10) . . . . ?
C42B C43 C44 Yb1 109.8(19) . . . . ?
C42 C43 C44 Yb1 110.9(15) . . . . ?
O5 C44 C45 C46 4(2) . . . . ?
C43 C44 C45 C46 179.9(11) . . . . ?
Yb1 C44 C45 C46 -12.5(12) . . . . ?
O5 C44 C45 C50 -175.1(12) . . . . ?
C43 C44 C45 C50 1(2) . . . . ?
Yb1 C44 C45 C50 168.4(13) . . . . ?
Yb1 O6 C46 C45 6.8(19) . . . . ?
Yb1 O6 C46 C47 -166.0(8) . . . . ?
C44 C45 C46 O6 9(2) . . . . ?
C50 C45 C46 O6 -172.1(12) . . . . ?
C44 C45 C46 C47 -177.6(11) . . . . ?
C50 C45 C46 C47 1.8(13) . . . . ?
C44 C45 C46 Yb1 12.4(12) . . . . ?
C50 C45 C46 Yb1 -168.2(8) . . . . ?
O6 C46 C47 C51 -21.4(17) . . . . ?
C45 C46 C47 C51 164.2(10) . . . . ?
Yb1 C46 C47 C51 -41(2) . . . . ?
O6 C46 C47 C52 -151.9(12) . . . . ?
C45 C46 C47 C52 33.7(12) . . . . ?
Yb1 C46 C47 C52 -171.7(16) . . . . ?
O6 C46 C47 C48 103.3(13) . . . . ?
C45 C46 C47 C48 -71.1(12) . . . . ?
Yb1 C46 C47 C48 83(2) . . . . ?
C51 C47 C48 C49 -164.6(11) . . . . ?
C52 C47 C48 C49 -31.7(13) . . . . ?
C46 C47 C48 C49 71.1(12) . . . . ?
C47 C48 C49 C50 -3.3(14) . . . . ?
C48 C49 C50 C45 -67.1(13) . . . . ?
C48 C49 C50 C52 36.0(12) . . . . ?
C44 C45 C50 C49 -110.9(16) . . . . ?
C46 C45 C50 C49 69.8(13) . . . . ?
C44 C45 C50 C52 143.9(14) . . . . ?
C46 C45 C50 C52 -35.4(12) . . . . ?
C51 C47 C52 C54 -58.3(16) . . . . ?
C48 C47 C52 C54 172.4(11) . . . . ?
C46 C47 C52 C54 67.8(13) . . . . ?
C51 C47 C52 C50 -179.2(11) . . . . ?
C48 C47 C52 C50 51.5(11) . . . . ?
C46 C47 C52 C50 -53.1(10) . . . . ?
C51 C47 C52 C53 64.7(16) . . . . ?
C48 C47 C52 C53 -64.5(14) . . . . ?
C46 C47 C52 C53 -169.2(11) . . . . ?
C49 C50 C52 C54 -174.5(11) . . . . ?
C45 C50 C52 C54 -65.8(12) . . . . ?
C49 C50 C52 C47 -54.3(11) . . . . ?
C45 C50 C52 C47 54.3(10) . . . . ?
C49 C50 C52 C53 61.4(13) . . . . ?
C45 C50 C52 C53 170.1(10) . . . . ?
C64 N1 C61 C62 -2.8(16) . . . . ?
Yb1 N1 C61 C62 166.5(10) . . . . ?
N1 C61 C62 C63 2.4(19) . . . . ?
C64 N2 C63 C62 -1.2(17) . . . . ?
Yb2 N2 C63 C62 172.4(9) . . . . ?
C61 C62 C63 N2 -0.3(19) . . . . ?
C63 N2 C64 N1 0.7(15) . . . . ?
Yb2 N2 C64 N1 -172.7(7) . . . . ?
C63 N2 C64 C65 -178.6(9) . . . . ?
Yb2 N2 C64 C65 7.9(11) . . . . ?
C61 N1 C64 N2 1.2(15) . . . . ?
Yb1 N1 C64 N2 -167.0(7) . . . . ?
C61 N1 C64 C65 -179.5(9) . . . . ?
Yb1 N1 C64 C65 12.4(13) . . . . ?
O7 N4 C65 N3 -173.2(9) . . . . ?
C68 N4 C65 N3 5.9(16) . . . . ?
O7 N4 C65 C64 8.1(15) . . . . ?
C68 N4 C65 C64 -172.9(10) . . . . ?
C66 N3 C65 N4 -4.7(16) . . . . ?
Yb2 N3 C65 N4 148.3(8) . . . . ?
C66 N3 C65 C64 174.2(10) . . . . ?
Yb2 N3 C65 C64 -32.9(11) . . . . ?
N2 C64 C65 N4 -164.5(10) . . . . ?
N1 C64 C65 N4 16.1(15) . . . . ?
N2 C64 C65 N3 16.7(13) . . . . ?
N1 C64 C65 N3 -162.7(9) . . . . ?
C65 N3 C66 C67 1.5(19) . . . . ?
Yb2 N3 C66 C67 -151.3(11) . . . . ?
N3 C66 C67 C68 0(2) . . . . ?
N3 C66 C67 C69 -178.3(15) . . . . ?
O7 N4 C68 C67 175.2(12) . . . . ?
C65 N4 C68 C67 -3.9(19) . . . . ?
C66 C67 C68 N4 1(2) . . . . ?
C69 C67 C68 N4 179.5(15) . . . . ?
F73 C71 C72 F75 10(2) . . . . ?
F71 C71 C72 F75 144.9(17) . . . . ?
F72 C71 C72 F75 -101.9(14) . . . . ?
F73 C71 C72 F74 -104.1(18) . . . . ?
F71 C71 C72 F74 31(2) . . . . ?
F72 C71 C72 F74 144.2(13) . . . . ?
F73 C71 C72 C73 132.3(18) . . . . ?
F71 C71 C72 C73 -93(2) . . . . ?
F72 C71 C72 C73 21(2) . . . . ?
F73B C71B C72 F75 -14(4) . . . . ?
F71B C71B C72 F75 124(3) . . . . ?
F72B C71B C72 F75 -125(2) . . . . ?
F73B C71B C72 F74 -134(3) . . . . ?
F71B C71B C72 F74 4(3) . . . . ?
F72B C71B C72 F74 115(3) . . . . ?
F73B C71B C72 C73 102(3) . . . . ?
F71B C71B C72 C73 -121(3) . . . . ?
F72B C71B C72 C73 -9(3) . . . . ?
F75 C72 C73 F76 56.4(13) . . . . ?
F74 C72 C73 F76 172.0(9) . . . . ?
C71 C72 C73 F76 -65.7(17) . . . . ?
C71B C72 C73 F76 -58.6(19) . . . . ?
F75 C72 C73 F77 -56.8(13) . . . . ?
F74 C72 C73 F77 58.9(13) . . . . ?
C71 C72 C73 F77 -178.8(13) . . . . ?
C71B C72 C73 F77 -171.8(16) . . . . ?
F75 C72 C73 C74 -176.7(11) . . . . ?
F74 C72 C73 C74 -61.0(14) . . . . ?
C71 C72 C73 C74 61.3(19) . . . . ?
C71B C72 C73 C74 68(2) . . . . ?
Yb2 O71 C74 C75 -10.3(19) . . . . ?
Yb2 O71 C74 C73 172.0(8) . . . . ?
F76 C73 C74 O71 119.1(12) . . . . ?
F77 C73 C74 O71 -124.5(11) . . . . ?
C72 C73 C74 O71 -4.9(17) . . . . ?
F76 C73 C74 C75 -58.8(15) . . . . ?
F77 C73 C74 C75 57.6(15) . . . . ?
C72 C73 C74 C75 177.2(12) . . . . ?
O71 C74 C75 C76 2(2) . . . . ?
C73 C74 C75 C76 179.7(11) . . . . ?
O71 C74 C75 C80 177.8(13) . . . . ?
C73 C74 C75 C80 -5(2) . . . . ?
Yb2 O72 C76 C75 6.1(17) . . . . ?
Yb2 O72 C76 C77 -169.5(8) . . . . ?
C74 C75 C76 O72 -0.5(19) . . . . ?
C80 C75 C76 O72 -177.1(11) . . . . ?
C74 C75 C76 C77 175.9(11) . . . . ?
C80 C75 C76 C77 -0.7(13) . . . . ?
O72 C76 C77 C81 -20.5(16) . . . . ?
C75 C76 C77 C81 163.1(10) . . . . ?
O72 C76 C77 C78 105.0(12) . . . . ?
C75 C76 C77 C78 -71.4(11) . . . . ?
O72 C76 C77 C82 -148.2(11) . . . . ?
C75 C76 C77 C82 35.5(12) . . . . ?
C76 C77 C78 C79 71.5(12) . . . . ?
C81 C77 C78 C79 -163.9(11) . . . . ?
C82 C77 C78 C79 -33.3(12) . . . . ?
C77 C78 C79 C80 -2.5(13) . . . . ?
C74 C75 C80 C79 -104.2(16) . . . . ?
C76 C75 C80 C79 72.0(13) . . . . ?
C74 C75 C80 C82 149.5(14) . . . . ?
C76 C75 C80 C82 -34.4(13) . . . . ?
C78 C79 C80 C75 -67.6(13) . . . . ?
C78 C79 C80 C82 37.6(13) . . . . ?
C75 C80 C82 C84 168.8(12) . . . . ?
C79 C80 C82 C84 60.7(15) . . . . ?
C75 C80 C82 C83 -64.0(15) . . . . ?
C79 C80 C82 C83 -172.1(12) . . . . ?
C75 C80 C82 C77 52.5(11) . . . . ?
C79 C80 C82 C77 -55.6(12) . . . . ?
C76 C77 C82 C84 -171.6(12) . . . . ?
C81 C77 C82 C84 64.0(16) . . . . ?
C78 C77 C82 C84 -64.6(14) . . . . ?
C76 C77 C82 C83 65.3(14) . . . . ?
C81 C77 C82 C83 -59.1(16) . . . . ?
C78 C77 C82 C83 172.3(12) . . . . ?
C76 C77 C82 C80 -53.0(11) . . . . ?
C81 C77 C82 C80 -177.4(11) . . . . ?
C78 C77 C82 C80 54.1(11) . . . . ?
F91 C91 C92 F95 -87(3) . . . . ?
F93 C91 C92 F95 56(3) . . . . ?
F92 C91 C92 F95 159(2) . . . . ?
F91 C91 C92 F94 156(3) . . . . ?
F93 C91 C92 F94 -61(3) . . . . ?
F92 C91 C92 F94 43(3) . . . . ?
F91 C91 C92 C93 32(4) . . . . ?
F93 C91 C92 C93 174(2) . . . . ?
F92 C91 C92 C93 -82(2) . . . . ?
F91B C91B C92B F95B -81(5) . . . . ?
F93B C91B C92B F95B 54(5) . . . . ?
F92B C91B C92B F95B 163(4) . . . . ?
F91B C91B C92B F94B 167(5) . . . . ?
F93B C91B C92B F94B -59(5) . . . . ?
F92B C91B C92B F94B 50(4) . . . . ?
F91B C91B C92B C93 49(5) . . . . ?
F93B C91B C92B C93 -176(4) . . . . ?
F92B C91B C92B C93 -67(4) . . . . ?
F95B C92B C93 F97 86(3) . . . . ?
F94B C92B C93 F97 -158(2) . . . . ?
C91B C92B C93 F97 -37(4) . . . . ?
F95B C92B C93 F96 -159(3) . . . . ?
F94B C92B C93 F96 -43(3) . . . . ?
C91B C92B C93 F96 78(4) . . . . ?
F95B C92B C93 C94 -38(4) . . . . ?
F94B C92B C93 C94 79(3) . . . . ?
C91B C92B C93 C94 -161(3) . . . . ?
F95 C92 C93 F97 53.1(19) . . . . ?
F94 C92 C93 F97 169.9(14) . . . . ?
C91 C92 C93 F97 -64(2) . . . . ?
F95 C92 C93 F96 167.3(15) . . . . ?
F94 C92 C93 F96 -75.9(17) . . . . ?
C91 C92 C93 F96 51(2) . . . . ?
F95 C92 C93 C94 -67(2) . . . . ?
F94 C92 C93 C94 49(2) . . . . ?
C91 C92 C93 C94 175.8(18) . . . . ?
Yb2 O73 C94 C95 12(2) . . . . ?
Yb2 O73 C94 C93 -170.5(8) . . . . ?
F97 C93 C94 O73 -45.4(16) . . . . ?
F96 C93 C94 O73 -161.7(11) . . . . ?
C92B C93 C94 O73 80(2) . . . . ?
C92 C93 C94 O73 74.9(16) . . . . ?
F97 C93 C94 C95 132.0(13) . . . . ?
F96 C93 C94 C95 15.7(18) . . . . ?
C92B C93 C94 C95 -102(2) . . . . ?
C92 C93 C94 C95 -107.7(17) . . . . ?
O73 C94 C95 C96 7(2) . . . . ?
C93 C94 C95 C96 -169.7(11) . . . . ?
O73 C94 C95 C100 179.0(14) . . . . ?
C93 C94 C95 C100 2(2) . . . . ?
Yb2 O74 C96 C95 -17.9(17) . . . . ?
Yb2 O74 C96 C97 165.8(8) . . . . ?
C94 C95 C96 O74 -4(2) . . . . ?
C100 C95 C96 O74 -177.4(11) . . . . ?
C94 C95 C96 C97 173.2(11) . . . . ?
C100 C95 C96 C97 -0.6(13) . . . . ?
O74 C96 C97 C101 -16.7(17) . . . . ?
C95 C96 C97 C101 166.3(11) . . . . ?
O74 C96 C97 C102 -148.4(11) . . . . ?
C95 C96 C97 C102 34.6(12) . . . . ?
O74 C96 C97 C98 109.1(12) . . . . ?
C95 C96 C97 C98 -67.9(11) . . . . ?
C101 C97 C98 C99 -162.4(10) . . . . ?
C96 C97 C98 C99 70.4(11) . . . . ?
C102 C97 C98 C99 -31.2(12) . . . . ?
C97 C98 C99 C100 -4.6(13) . . . . ?
C94 C95 C100 C99 -99.4(18) . . . . ?
C96 C95 C100 C99 73.0(13) . . . . ?
C94 C95 C100 C102 153.9(15) . . . . ?
C96 C95 C100 C102 -33.8(13) . . . . ?
C98 C99 C100 C95 -66.8(13) . . . . ?
C98 C99 C100 C102 39.2(12) . . . . ?
C101 C97 C102 C103 -62.7(15) . . . . ?
C96 C97 C102 C103 66.4(13) . . . . ?
C98 C97 C102 C103 170.0(11) . . . . ?
C101 C97 C102 C104 62.6(16) . . . . ?
C96 C97 C102 C104 -168.3(11) . . . . ?
C98 C97 C102 C104 -64.6(13) . . . . ?
C101 C97 C102 C100 179.5(11) . . . . ?
C96 C97 C102 C100 -51.4(11) . . . . ?
C98 C97 C102 C100 52.3(11) . . . . ?
C95 C100 C102 C103 -64.0(14) . . . . ?
C99 C100 C102 C103 -174.2(11) . . . . ?
C95 C100 C102 C104 169.2(12) . . . . ?
C99 C100 C102 C104 59.0(15) . . . . ?
C95 C100 C102 C97 52.6(12) . . . . ?
C99 C100 C102 C97 -57.6(11) . . . . ?
F113 C111 C112 F115 54.8(15) . . . . ?
F112 C111 C112 F115 -56.1(15) . . . . ?
F111 C111 C112 F115 176.4(14) . . . . ?
F113 C111 C112 F114 171.6(16) . . . . ?
F112 C111 C112 F114 60.7(16) . . . . ?
F111 C111 C112 F114 -66.8(16) . . . . ?
F113 C111 C112 C113 -75.8(16) . . . . ?
F112 C111 C112 C113 173.3(14) . . . . ?
F111 C111 C112 C113 45.8(17) . . . . ?
F213 C211 C212 F214 159(6) . . . . ?
F212 C211 C212 F214 43(6) . . . . ?
F211 C211 C212 F214 -79(6) . . . . ?
F213 C211 C212 F215 45(5) . . . . ?
F212 C211 C212 F215 -71(5) . . . . ?
F211 C211 C212 F215 167(5) . . . . ?
F213 C211 C212 C113 -81(6) . . . . ?
F212 C211 C212 C113 164(6) . . . . ?
F211 C211 C212 C113 41(6) . . . . ?
F214 C212 C113 F116 53(4) . . . . ?
F215 C212 C113 F116 173(4) . . . . ?
C211 C212 C113 F116 -67(5) . . . . ?
F214 C212 C113 F117 -61(5) . . . . ?
F215 C212 C113 F117 58(5) . . . . ?
C211 C212 C113 F117 179(3) . . . . ?
F214 C212 C113 C114 170(4) . . . . ?
F215 C212 C113 C114 -71(4) . . . . ?
C211 C212 C113 C114 50(5) . . . . ?
F115 C112 C113 F116 159.4(14) . . . . ?
F114 C112 C113 F116 37.5(19) . . . . ?
C111 C112 C113 F116 -76.0(17) . . . . ?
F115 C112 C113 F117 47.8(17) . . . . ?
F114 C112 C113 F117 -74.1(15) . . . . ?
C111 C112 C113 F117 172.4(12) . . . . ?
F115 C112 C113 C114 -65.5(19) . . . . ?
F114 C112 C113 C114 172.6(14) . . . . ?
C111 C112 C113 C114 59.1(17) . . . . ?
Yb2 O75 C114 C115 -8(2) . . . . ?
Yb2 O75 C114 C113 173.6(8) . . . . ?
F116 C113 C114 O75 -160.8(11) . . . . ?
F117 C113 C114 O75 -44.5(15) . . . . ?
C212 C113 C114 O75 94(3) . . . . ?
C112 C113 C114 O75 62.4(17) . . . . ?
F116 C113 C114 C115 20.6(19) . . . . ?
F117 C113 C114 C115 136.9(13) . . . . ?
C212 C113 C114 C115 -85(3) . . . . ?
C112 C113 C114 C115 -116.2(16) . . . . ?
O75 C114 C115 C116 11(2) . . . . ?
C113 C114 C115 C116 -170.7(12) . . . . ?
O75 C114 C115 C120 -176.6(14) . . . . ?
C113 C114 C115 C120 2(2) . . . . ?
Yb2 O76 C116 C115 -5(2) . . . . ?
Yb2 O76 C116 C117 176.9(9) . . . . ?
C114 C115 C116 O76 -4(2) . . . . ?
C120 C115 C116 O76 -178.5(13) . . . . ?
C114 C115 C116 C117 173.8(12) . . . . ?
C120 C115 C116 C117 -0.3(15) . . . . ?
O76 C116 C117 C121 -17.0(19) . . . . ?
C115 C116 C117 C121 164.7(12) . . . . ?
O76 C116 C117 C122 -146.1(12) . . . . ?
C115 C116 C117 C122 35.6(13) . . . . ?
O76 C116 C117 C118 107.3(14) . . . . ?
C115 C116 C117 C118 -71.0(13) . . . . ?
C121 C117 C118 C119 -163.4(11) . . . . ?
C116 C117 C118 C119 71.5(13) . . . . ?
C122 C117 C118 C119 -31.4(12) . . . . ?
C117 C118 C119 C120 -4.2(13) . . . . ?
C114 C115 C120 C119 -102.4(17) . . . . ?
C116 C115 C120 C119 70.9(14) . . . . ?
C114 C115 C120 C122 152.7(15) . . . . ?
C116 C115 C120 C122 -34.0(14) . . . . ?
C118 C119 C120 C115 -66.0(14) . . . . ?
C118 C119 C120 C122 37.0(13) . . . . ?
C121 C117 C122 C124 -62.3(15) . . . . ?
C116 C117 C122 C124 63.5(14) . . . . ?
C118 C117 C122 C124 169.3(11) . . . . ?
C121 C117 C122 C123 63.6(17) . . . . ?
C116 C117 C122 C123 -170.6(12) . . . . ?
C118 C117 C122 C123 -64.8(14) . . . . ?
C121 C117 C122 C120 -179.2(11) . . . . ?
C116 C117 C122 C120 -53.4(11) . . . . ?
C118 C117 C122 C120 52.3(11) . . . . ?
C115 C120 C122 C124 -64.4(14) . . . . ?
C119 C120 C122 C124 -172.7(11) . . . . ?
C115 C120 C122 C123 171.5(12) . . . . ?
C119 C120 C122 C123 63.3(14) . . . . ?
C115 C120 C122 C117 53.7(12) . . . . ?
C119 C120 C122 C117 -54.6(11) . . . . ?
