#------------------------------------------------------------------------------
#$Date: 2025-10-16 02:20:31 +0300 (Thu, 16 Oct 2025) $
#$Revision: 302880 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/10/7251010.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_7251010
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 H92 F42 N4 O13 Yb2'
_chemical_formula_sum            'C93 H92 F42 N4 O13 Yb2'
_chemical_formula_weight         2617.78
_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                   20.1867(19)
_cell_length_b                   21.914(2)
_cell_length_c                   23.957(3)
_cell_measurement_reflns_used    4692
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.7144
_cell_measurement_theta_min      2.1846
_cell_measurement_wavelength     0.710730
_cell_volume                     10597.9(19)
_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 plate'
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'APEXII Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_orient_matrix_UB_11      0.0410913
_diffrn_orient_matrix_UB_12      -0.0178838
_diffrn_orient_matrix_UB_13      -0.0166106
_diffrn_orient_matrix_UB_21      -0.0244652
_diffrn_orient_matrix_UB_22      -0.0386702
_diffrn_orient_matrix_UB_23      -0.0081361
_diffrn_orient_matrix_UB_31      -0.0129207
_diffrn_orient_matrix_UB_32      0.0163463
_diffrn_orient_matrix_UB_33      -0.0374205
_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  0.1369
_diffrn_reflns_av_unetI/netI     0.2575
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            53770
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.663
_diffrn_reflns_theta_min         2.279
_exptl_absorpt_coefficient_mu    1.887
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.580
_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    1.641
_exptl_crystal_description       plate
_exptl_crystal_F_000             5200
_exptl_crystal_size_max          0.540
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.662
_refine_diff_density_min         -1.781
_refine_diff_density_rms         0.168
_refine_ls_abs_structure_details
;
Flack x determined using 3218 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.025(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1420
_refine_ls_number_reflns         24285
_refine_ls_number_restraints     387
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.1977
_refine_ls_R_factor_gt           0.0832
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0701P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1586
_refine_ls_wR_factor_ref         0.2058
_reflns_Friedel_coverage         0.852
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                11434
_reflns_number_total             24285
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5ce00831j2.cif
_cod_data_source_block           SL13
_cod_original_cell_volume        10597.6(19)
_cod_database_code               7251010
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 0.95182(4) 0.65655(4) 0.21948(4) 0.0298(2) Uani 1 1 d . . . . .
Yb2 Yb 1.28466(4) 0.68756(4) 0.28790(4) 0.0332(2) Uani 1 1 d . . . . .
O1 O 0.9396(6) 0.5776(6) 0.1620(6) 0.037(4) Uani 1 1 d . . . . .
O2 O 0.8460(6) 0.6689(6) 0.1887(6) 0.037(4) Uani 1 1 d . . . . .
O3 O 0.9513(7) 0.7495(7) 0.1806(6) 0.042(4) Uani 1 1 d . . . . .
O4 O 1.0409(6) 0.6567(6) 0.1579(5) 0.029(3) Uani 1 1 d . . . . .
O5 O 0.9204(5) 0.7021(6) 0.2979(6) 0.030(3) Uani 1 1 d . . . . .
O6 O 0.8916(6) 0.5823(6) 0.2704(7) 0.038(4) Uani 1 1 d . . . . .
O7 O 1.0256(6) 0.5980(6) 0.2702(6) 0.033(4) Uani 1 1 d . . . . .
O61 O 1.2818(7) 0.7548(6) 0.3579(7) 0.042(4) Uani 1 1 d . . . . .
O62 O 1.2128(7) 0.6427(6) 0.3526(7) 0.040(4) Uani 1 1 d . . . . .
O63 O 1.3192(6) 0.6609(6) 0.2034(6) 0.038(4) Uani 1 1 d . . . . .
O64 O 1.2983(6) 0.7777(6) 0.2414(6) 0.029(3) Uani 1 1 d . . . . .
O65 O 1.3220(6) 0.5931(6) 0.3040(6) 0.037(4) Uani 1 1 d . . . . .
O66 O 1.3959(6) 0.7022(6) 0.3058(6) 0.040(4) Uani 1 1 d . . . . .
F1 F 0.9331(14) 0.5710(9) 0.0383(11) 0.074(5) Uani 0.70(4) 1 d D . P A 1
F2 F 1.0173(11) 0.5106(11) 0.0586(13) 0.074(5) Uani 0.70(4) 1 d D . P A 1
F3 F 0.9593(14) 0.4961(10) -0.0187(10) 0.074(5) Uani 0.70(4) 1 d D . P A 1
C1 C 0.9561(13) 0.5131(11) 0.0355(11) 0.076(8) Uani 0.70(4) 1 d D U P A 1
F4 F 0.9368(14) 0.4142(10) 0.0639(16) 0.067(5) Uani 0.70(4) 1 d D . P A 1
F5 F 0.8508(11) 0.4764(11) 0.0383(13) 0.067(5) Uani 0.70(4) 1 d D . P A 1
C2 C 0.9110(17) 0.4721(15) 0.0684(15) 0.063(6) Uani 0.70(4) 1 d D U P A 1
F1B F 0.965(3) 0.5700(18) 0.047(2) 0.074(5) Uani 0.30(4) 1 d D . P A 2
F2B F 1.024(2) 0.498(2) 0.086(2) 0.074(5) Uani 0.30(4) 1 d D . P A 2
F3B F 0.991(3) 0.487(2) -0.001(2) 0.074(5) Uani 0.30(4) 1 d D . P A 2
C1B C 0.973(2) 0.5088(18) 0.0502(18) 0.076(8) Uani 0.30(4) 1 d D . P A 2
F4B F 0.921(3) 0.415(2) 0.054(4) 0.067(5) Uani 0.30(4) 1 d D . P A 2
F5B F 0.861(2) 0.498(3) 0.033(3) 0.067(5) Uani 0.30(4) 1 d D . P A 2
C2B C 0.912(2) 0.476(3) 0.068(3) 0.063(6) Uani 0.30(4) 1 d D . P A 2
F6 F 0.8512(6) 0.4437(6) 0.1439(6) 0.055(4) Uani 1 1 d . . . . .
F7 F 0.9529(6) 0.4612(5) 0.1599(7) 0.061(4) Uani 1 1 d . . . . .
C3 C 0.9004(12) 0.4815(10) 0.1318(11) 0.049(5) Uani 1 1 d . U . . .
C4 C 0.8874(11) 0.5480(10) 0.1506(9) 0.036(5) Uani 1 1 d . U . . .
C5 C 0.8221(11) 0.5695(11) 0.1502(10) 0.044(6) Uani 1 1 d . . . . .
C6 C 0.8079(10) 0.6321(9) 0.1674(9) 0.034(5) Uani 1 1 d . . . . .
C7 C 0.7329(9) 0.6395(11) 0.1578(10) 0.041(6) Uani 1 1 d . . . . .
C8 C 0.7029(10) 0.6027(9) 0.2070(10) 0.038(5) Uani 1 1 d . . . . .
H8A H 0.654550 0.609563 0.210308 0.045 Uiso 1 1 calc R U . . .
H8B H 0.724561 0.612979 0.242824 0.045 Uiso 1 1 calc R U . . .
C9 C 0.7190(11) 0.5348(10) 0.1883(11) 0.053(7) Uani 1 1 d . . . . .
H9A H 0.747754 0.514274 0.216034 0.064 Uiso 1 1 calc R U . . .
H9B H 0.677772 0.510753 0.183856 0.064 Uiso 1 1 calc R U . . .
C10 C 0.7539(10) 0.5418(11) 0.1337(11) 0.047(6) Uani 1 1 d . . . . .
H10 H 0.755176 0.504805 0.109263 0.057 Uiso 1 1 calc R U . . .
C11 C 0.7103(10) 0.7068(10) 0.1586(12) 0.054(7) Uani 1 1 d . . . . .
H11A H 0.661845 0.708595 0.156468 0.081 Uiso 1 1 calc R U . . .
H11B H 0.729410 0.728311 0.126538 0.081 Uiso 1 1 calc R U . . .
H11C H 0.725235 0.726179 0.193218 0.081 Uiso 1 1 calc R U . . .
C12 C 0.7215(10) 0.6010(11) 0.1076(11) 0.050(6) Uani 1 1 d . . . . .
C13 C 0.7551(11) 0.6227(11) 0.0539(9) 0.046(6) Uani 1 1 d . . . . .
H13A H 0.734431 0.660778 0.041330 0.069 Uiso 1 1 calc R U . . .
H13B H 0.750203 0.591504 0.024888 0.069 Uiso 1 1 calc R U . . .
H13C H 0.802321 0.629817 0.061020 0.069 Uiso 1 1 calc R U . . .
C14 C 0.6448(10) 0.5902(13) 0.0927(13) 0.072(9) Uani 1 1 d . . . . .
H14A H 0.621307 0.575818 0.125972 0.108 Uiso 1 1 calc R U . . .
H14B H 0.641246 0.559466 0.063072 0.108 Uiso 1 1 calc R U . . .
H14C H 0.625132 0.628567 0.079886 0.108 Uiso 1 1 calc R U . . .
F21 F 0.791(2) 0.851(2) 0.084(2) 0.099(6) Uani 0.41(3) 1 d D . P B 1
F22 F 0.833(2) 0.826(3) 0.1637(18) 0.099(6) Uani 0.41(3) 1 d D . P B 1
F23 F 0.851(3) 0.7697(18) 0.092(3) 0.099(6) Uani 0.41(3) 1 d D . P B 1
C21 C 0.8478(19) 0.8292(18) 0.1080(19) 0.083(8) Uani 0.41(3) 1 d D U P B 1
F24 F 0.886(2) 0.9210(18) 0.118(2) 0.089(7) Uani 0.41(3) 1 d D U P B 1
F25 F 0.921(2) 0.859(2) 0.044(2) 0.089(7) Uani 0.41(3) 1 d D U P B 1
C22 C 0.905(2) 0.865(2) 0.106(3) 0.075(7) Uani 0.41(3) 1 d D U P B 1
F21B F 0.8062(14) 0.8375(17) 0.0522(14) 0.099(6) Uani 0.59(3) 1 d D . P B 2
F22B F 0.8187(13) 0.8276(17) 0.1409(15) 0.099(6) Uani 0.59(3) 1 d D . P B 2
F23B F 0.8601(18) 0.7606(13) 0.085(2) 0.099(6) Uani 0.59(3) 1 d D . P B 2
C21B C 0.8518(17) 0.8220(14) 0.0915(14) 0.083(8) Uani 0.59(3) 1 d D . P B 2
F24B F 0.8934(16) 0.9142(13) 0.0839(18) 0.089(7) Uani 0.59(3) 1 d D U P B 2
F25B F 0.9391(16) 0.8343(14) 0.0386(14) 0.089(7) Uani 0.59(3) 1 d D U P B 2
C22B C 0.9093(18) 0.8573(18) 0.0933(19) 0.075(7) Uani 0.59(3) 1 d D . P B 2
F26 F 1.0122(8) 0.8798(7) 0.1205(9) 0.097(6) Uani 1 1 d . . . . .
F27 F 0.9463(10) 0.8683(6) 0.1880(9) 0.095(6) Uani 1 1 d . . . . .
C23 C 0.9637(12) 0.8432(13) 0.1413(13) 0.061(5) Uani 1 1 d . U . . .
C24 C 0.9861(11) 0.7783(11) 0.1432(12) 0.052(6) Uani 1 1 d . U . . .
C25 C 1.0368(10) 0.7533(12) 0.1114(10) 0.046(6) Uani 1 1 d . . . . .
C26 C 1.0613(10) 0.6920(11) 0.1233(9) 0.037(5) Uani 1 1 d . . . . .
C27 C 1.1187(10) 0.6849(13) 0.0856(9) 0.046(6) Uani 1 1 d . . . . .
C28 C 1.1738(11) 0.7286(12) 0.1085(11) 0.056(7) Uani 1 1 d . . . . .
H28A H 1.178178 0.725238 0.149573 0.067 Uiso 1 1 calc R U . . .
H28B H 1.217224 0.720317 0.090908 0.067 Uiso 1 1 calc R U . . .
C29 C 1.1463(12) 0.7922(13) 0.0911(13) 0.075(9) Uani 1 1 d . . . . .
H29A H 1.141727 0.819210 0.123963 0.090 Uiso 1 1 calc R U . . .
H29B H 1.175953 0.811960 0.063589 0.090 Uiso 1 1 calc R U . . .
C30 C 1.0806(12) 0.7789(13) 0.0660(12) 0.061(8) Uani 1 1 d . . . . .
H30 H 1.060822 0.813311 0.044159 0.074 Uiso 1 1 calc R U . . .
C31 C 1.1416(12) 0.6187(12) 0.0792(12) 0.063(8) Uani 1 1 d . . . . .
H31A H 1.160631 0.604544 0.114583 0.095 Uiso 1 1 calc R U . . .
H31B H 1.175234 0.616252 0.049804 0.095 Uiso 1 1 calc R U . . .
H31C H 1.103720 0.593022 0.069288 0.095 Uiso 1 1 calc R U . . .
C32 C 1.0922(12) 0.7207(13) 0.0329(11) 0.055(7) Uani 1 1 d . . . . .
C33 C 1.1488(14) 0.7280(17) -0.0149(13) 0.100(13) Uani 1 1 d . . . . .
H33A H 1.144802 0.694659 -0.041902 0.151 Uiso 1 1 calc R U . . .
H33B H 1.192729 0.726731 0.002493 0.151 Uiso 1 1 calc R U . . .
H33C H 1.143001 0.767168 -0.034092 0.151 Uiso 1 1 calc R U . . .
C34 C 1.0312(11) 0.6916(14) 0.0060(12) 0.072(8) Uani 1 1 d . . . . .
H34A H 1.044972 0.657022 -0.017157 0.109 Uiso 1 1 calc R U . . .
H34B H 1.008648 0.721934 -0.017332 0.109 Uiso 1 1 calc R U . . .
H34C H 1.000968 0.677374 0.035197 0.109 Uiso 1 1 calc R U . . .
F41 F 0.7740(7) 0.7387(7) 0.3010(6) 0.078(5) Uani 1 1 d D . . . .
F42 F 0.7412(7) 0.8255(6) 0.3275(8) 0.099(6) Uani 1 1 d D . . . .
F43 F 0.7460(9) 0.7520(7) 0.3892(8) 0.110(7) Uani 1 1 d D . . . .
C41 C 0.7745(11) 0.7776(10) 0.3444(10) 0.072(7) Uani 1 1 d D U . . .
F44 F 0.8382(6) 0.8376(6) 0.3987(6) 0.063(4) Uani 1 1 d D . . . .
F45 F 0.8699(8) 0.8189(6) 0.3106(8) 0.103(7) Uani 1 1 d D . . . .
C42 C 0.8431(11) 0.7937(10) 0.3603(10) 0.059(5) Uani 1 1 d D U . . .
F46 F 0.9486(7) 0.7713(6) 0.3867(7) 0.075(5) Uani 1 1 d . . . . .
F47 F 0.8716(10) 0.7279(6) 0.4348(7) 0.089(6) Uani 1 1 d . . . . .
C43 C 0.8919(11) 0.7420(10) 0.3842(10) 0.039(4) Uani 1 1 d . U . . .
C44 C 0.8956(8) 0.6860(9) 0.3454(8) 0.027(4) Uani 1 1 d . U . . .
C45 C 0.8766(9) 0.6283(9) 0.3610(9) 0.030(4) Uani 1 1 d . U . . .
C46 C 0.8738(9) 0.5794(9) 0.3196(9) 0.023(4) Uani 1 1 d . U . . .
C47 C 0.8480(9) 0.5253(10) 0.3455(9) 0.037(6) Uani 1 1 d . . . . .
C48 C 0.7710(9) 0.5428(10) 0.3545(10) 0.043(6) Uani 1 1 d . . . . .
H48A H 0.751303 0.559366 0.319839 0.052 Uiso 1 1 calc R U . . .
H48B H 0.745053 0.506981 0.366851 0.052 Uiso 1 1 calc R U . . .
C49 C 0.7743(11) 0.5939(11) 0.4024(10) 0.052(7) Uani 1 1 d . . . . .
H49A H 0.754808 0.632875 0.389518 0.063 Uiso 1 1 calc R U . . .
H49B H 0.750974 0.580302 0.436581 0.063 Uiso 1 1 calc R U . . .
C50 C 0.8474(11) 0.5999(10) 0.4123(10) 0.038(6) Uani 1 1 d . . . . .
H50 H 0.859472 0.620758 0.447984 0.046 Uiso 1 1 calc R U . . .
C51 C 0.8579(11) 0.4669(9) 0.3185(9) 0.040(6) Uani 1 1 d . . . . .
H51A H 0.849472 0.471001 0.278370 0.061 Uiso 1 1 calc R U . . .
H51B H 0.827285 0.436885 0.334397 0.061 Uiso 1 1 calc R U . . .
H51C H 0.903603 0.453377 0.324435 0.061 Uiso 1 1 calc R U . . .
C52 C 0.8754(11) 0.5338(9) 0.4061(11) 0.045(7) Uani 1 1 d . . . . .
C53 C 0.9515(10) 0.5316(10) 0.4092(10) 0.045(6) Uani 1 1 d . . . . .
H53A H 0.965989 0.544003 0.446533 0.068 Uiso 1 1 calc R U . . .
H53B H 0.970229 0.559425 0.381336 0.068 Uiso 1 1 calc R U . . .
H53C H 0.966687 0.489928 0.401640 0.068 Uiso 1 1 calc R U . . .
C54 C 0.8467(12) 0.4903(11) 0.4497(10) 0.059(7) Uani 1 1 d . . . . .
H54A H 0.863262 0.448976 0.442818 0.089 Uiso 1 1 calc R U . . .
H54B H 0.798257 0.490516 0.447083 0.089 Uiso 1 1 calc R U . . .
H54C H 0.860178 0.503649 0.487029 0.089 Uiso 1 1 calc R U . . .
F61 F 1.4160(8) 0.8917(8) 0.4219(9) 0.081(4) Uani 0.82(2) 1 d D . P C 1
F62 F 1.3888(9) 0.8389(9) 0.3501(7) 0.081(4) Uani 0.82(2) 1 d D . P C 1
F63 F 1.3897(8) 0.7976(8) 0.4309(8) 0.081(4) Uani 0.82(2) 1 d D . P C 1
F61B F 1.387(4) 0.9076(13) 0.391(3) 0.081(4) Uani 0.18(2) 1 d D . P C 2
F62B F 1.400(3) 0.817(3) 0.3611(18) 0.081(4) Uani 0.18(2) 1 d D . P C 2
F63B F 1.413(3) 0.836(4) 0.4480(16) 0.081(4) Uani 0.18(2) 1 d D . P C 2
C61 C 1.3762(12) 0.8489(7) 0.4033(7) 0.055(6) Uani 1 1 d D U . . .
F64 F 1.2760(6) 0.8831(5) 0.3597(5) 0.047(3) Uani 1 1 d . . . . .
F65 F 1.2999(7) 0.9155(6) 0.4444(6) 0.063(4) Uani 1 1 d . . . . .
C62 C 1.2998(11) 0.8647(10) 0.4114(11) 0.048(5) Uani 1 1 d . U . . .
F66 F 1.2775(7) 0.8101(6) 0.4888(5) 0.058(4) Uani 1 1 d . . . . .
F67 F 1.1947(5) 0.8493(6) 0.4396(6) 0.051(3) Uani 1 1 d . . . . .
C63 C 1.2569(10) 0.8204(10) 0.4335(10) 0.047(5) Uani 1 1 d . U . . .
C64 C 1.2437(10) 0.7599(10) 0.4039(10) 0.039(5) Uani 1 1 d . U . . .
C65 C 1.1989(10) 0.7187(12) 0.4230(10) 0.045(6) Uani 1 1 d . . . . .
C66 C 1.1868(10) 0.6636(9) 0.3970(9) 0.034(5) Uani 1 1 d . . . . .
C67 C 1.1322(11) 0.6343(11) 0.4305(11) 0.049(6) Uani 1 1 d . . . . .
C68 C 1.0703(9) 0.6716(10) 0.4167(10) 0.042(6) Uani 1 1 d . . . . .
H68A H 1.029675 0.651234 0.430491 0.051 Uiso 1 1 calc R U . . .
H68B H 1.066156 0.678607 0.376026 0.051 Uiso 1 1 calc R U . . .
C69 C 1.0833(10) 0.7320(10) 0.4483(11) 0.046(7) Uani 1 1 d . . . . .
H69A H 1.049475 0.738803 0.477562 0.055 Uiso 1 1 calc R U . . .
H69B H 1.083187 0.767155 0.422339 0.055 Uiso 1 1 calc R U . . .
C70 C 1.1533(11) 0.7223(11) 0.4745(11) 0.048(7) Uani 1 1 d . . . . .
H70 H 1.166729 0.751302 0.504644 0.057 Uiso 1 1 calc R U . . .
C71 C 1.1232(12) 0.5649(10) 0.4176(11) 0.053(7) Uani 1 1 d . . . . .
H71A H 1.101471 0.560063 0.381231 0.080 Uiso 1 1 calc R U . . .
H71B H 1.095747 0.546168 0.446635 0.080 Uiso 1 1 calc R U . . .
H71C H 1.166619 0.545016 0.416720 0.080 Uiso 1 1 calc R U . . .
C72 C 1.1491(12) 0.6525(12) 0.4910(11) 0.055(7) Uani 1 1 d . . . . .
C73 C 1.0997(13) 0.6380(14) 0.5329(11) 0.076(9) Uani 1 1 d . . . . .
H73A H 1.055347 0.645686 0.517688 0.114 Uiso 1 1 calc R U . . .
H73B H 1.106674 0.663705 0.565856 0.114 Uiso 1 1 calc R U . . .
H73C H 1.103549 0.594982 0.543410 0.114 Uiso 1 1 calc R U . . .
C74 C 1.2157(14) 0.6256(13) 0.5095(10) 0.069(8) Uani 1 1 d . . . . .
H74A H 1.224120 0.636532 0.548494 0.104 Uiso 1 1 calc R U . . .
H74B H 1.251189 0.641976 0.485905 0.104 Uiso 1 1 calc R U . . .
H74C H 1.214406 0.581059 0.505825 0.104 Uiso 1 1 calc R U . . .
F81 F 1.4904(11) 0.5924(10) 0.0502(10) 0.095(5) Uani 0.715(14) 1 d D . P D 1
F82 F 1.4924(11) 0.5164(12) 0.1073(12) 0.095(5) Uani 0.715(14) 1 d D . P D 1
F83 F 1.4065(10) 0.5319(11) 0.0557(12) 0.095(5) Uani 0.715(14) 1 d D . P D 1
C81 C 1.4539(11) 0.5593(12) 0.0851(12) 0.078(7) Uani 0.715(14) 1 d D U P D 1
F84 F 1.4794(11) 0.6353(11) 0.1487(12) 0.087(6) Uani 0.715(14) 1 d D . P D 1
F85 F 1.4058(12) 0.5604(12) 0.1719(11) 0.087(6) Uani 0.715(14) 1 d D . P D 1
C82 C 1.4243(17) 0.5974(17) 0.1296(15) 0.065(6) Uani 0.715(14) 1 d D U P D 1
F81B F 1.436(3) 0.558(3) 0.0356(19) 0.095(5) Uani 0.285(14) 1 d D . P D 2
F82B F 1.506(2) 0.531(3) 0.098(3) 0.095(5) Uani 0.285(14) 1 d D . P D 2
F83B F 1.404(2) 0.504(2) 0.105(2) 0.095(5) Uani 0.285(14) 1 d D . P D 2
C81B C 1.444(2) 0.549(2) 0.0903(19) 0.078(7) Uani 0.285(14) 1 d D . P D 2
F84B F 1.477(3) 0.652(2) 0.110(3) 0.087(6) Uani 0.285(14) 1 d D . P D 2
F85B F 1.438(3) 0.594(3) 0.178(2) 0.087(6) Uani 0.285(14) 1 d D . P D 2
C82B C 1.429(3) 0.605(2) 0.123(2) 0.065(6) Uani 0.285(14) 1 d D . P D 2
F86 F 1.3841(8) 0.6707(6) 0.0685(6) 0.076(5) Uani 1 1 d . . . . .
F87 F 1.3166(6) 0.6061(7) 0.1040(7) 0.072(5) Uani 1 1 d . . . . .
C83 C 1.3680(11) 0.6419(12) 0.1151(12) 0.053(5) Uani 1 1 d . U . . .
C84 C 1.3484(10) 0.6861(12) 0.1629(11) 0.048(5) Uani 1 1 d . U . . .
C85 C 1.3624(9) 0.7490(11) 0.1597(11) 0.046(6) Uani 1 1 d . . . . .
C90 C 1.3967(12) 0.7884(11) 0.1160(10) 0.048(7) Uani 1 1 d . . . . .
H90 H 1.432797 0.767216 0.094884 0.057 Uiso 1 1 calc R U . . .
C89 C 1.3446(11) 0.8170(11) 0.0799(10) 0.053(6) Uani 1 1 d . . . . .
H89A H 1.313437 0.786234 0.064866 0.064 Uiso 1 1 calc R U . . .
H89B H 1.364222 0.840494 0.048749 0.064 Uiso 1 1 calc R U . . .
C88 C 1.3102(11) 0.8598(12) 0.1235(11) 0.059(7) Uani 1 1 d . . . . .
H88A H 1.310710 0.902618 0.110392 0.071 Uiso 1 1 calc R U . . .
H88B H 1.263649 0.847194 0.129548 0.071 Uiso 1 1 calc R U . . .
C87 C 1.3502(9) 0.8534(10) 0.1778(9) 0.036(5) Uani 1 1 d . . . . .
C86 C 1.3324(10) 0.7907(10) 0.2002(9) 0.041(6) Uani 1 1 d . . . . .
C91 C 1.3406(10) 0.9027(10) 0.2220(11) 0.045(6) Uani 1 1 d . . . . .
H91A H 1.295060 0.901063 0.236133 0.068 Uiso 1 1 calc R U . . .
H91B H 1.348846 0.942877 0.205387 0.068 Uiso 1 1 calc R U . . .
H91C H 1.371622 0.895924 0.252816 0.068 Uiso 1 1 calc R U . . .
C92 C 1.4210(10) 0.8422(13) 0.1541(12) 0.059(7) Uani 1 1 d . . . . .
C93 C 1.4717(9) 0.8247(11) 0.2005(11) 0.056(7) Uani 1 1 d . . . . .
H93A H 1.460827 0.784218 0.215336 0.083 Uiso 1 1 calc R U . . .
H93B H 1.469821 0.854809 0.230683 0.083 Uiso 1 1 calc R U . . .
H93C H 1.516489 0.823950 0.184649 0.083 Uiso 1 1 calc R U . . .
C94 C 1.4464(13) 0.8951(12) 0.1182(12) 0.070(8) Uani 1 1 d . . . . .
H94A H 1.453191 0.931139 0.141804 0.106 Uiso 1 1 calc R U . . .
H94B H 1.413750 0.904564 0.089202 0.106 Uiso 1 1 calc R U . . .
H94C H 1.488417 0.883529 0.100758 0.106 Uiso 1 1 calc R U . . .
F101 F 1.3010(9) 0.4526(8) 0.4463(9) 0.121(5) Uani 0.841(14) 1 d D . P E 1
F102 F 1.3200(9) 0.5448(7) 0.4219(9) 0.121(5) Uani 0.841(14) 1 d D . P E 1
F103 F 1.4013(7) 0.4795(9) 0.4196(10) 0.121(5) Uani 0.841(14) 1 d D . P E 1
C101 C 1.3369(10) 0.4882(10) 0.4133(11) 0.106(9) Uani 0.841(14) 1 d D U P E 1
F104 F 1.2558(10) 0.4828(9) 0.3538(11) 0.106(6) Uani 0.841(14) 1 d D . P E 1
F105 F 1.3384(11) 0.4069(8) 0.3559(11) 0.106(6) Uani 0.841(14) 1 d D . P E 1
C102 C 1.3212(13) 0.4717(11) 0.3540(11) 0.095(7) Uani 0.841(14) 1 d D U P E 1
F201 F 1.405(4) 0.468(4) 0.459(2) 0.121(5) Uani 0.159(14) 1 d D . P E 2
F202 F 1.386(4) 0.556(2) 0.422(4) 0.121(5) Uani 0.159(14) 1 d D . P E 2
F203 F 1.464(3) 0.499(4) 0.389(4) 0.121(5) Uani 0.159(14) 1 d D . P E 2
C201 C 1.404(3) 0.500(2) 0.412(2) 0.106(9) Uani 0.159(14) 1 d D . P E 2
F204 F 1.297(3) 0.484(4) 0.397(4) 0.106(6) Uani 0.159(14) 1 d D . P E 2
F205 F 1.376(5) 0.408(2) 0.373(5) 0.106(6) Uani 0.159(14) 1 d D . P E 2
C202 C 1.356(3) 0.4713(17) 0.3729(16) 0.095(7) Uani 0.159(14) 1 d D . P E 2
F106 F 1.3404(6) 0.4817(6) 0.2707(7) 0.074(5) Uani 1 1 d . . . . .
F107 F 1.4343(6) 0.4738(6) 0.3122(8) 0.081(5) Uani 1 1 d . . . . .
C103 C 1.3757(12) 0.4981(12) 0.3158(13) 0.063(6) Uani 1 1 d D U . . .
C104 C 1.3772(11) 0.5669(11) 0.3156(12) 0.056(6) Uani 1 1 d D U . . .
C105 C 1.4350(11) 0.6016(11) 0.3307(11) 0.049(7) Uani 1 1 d . . . . .
C106 C 1.4397(9) 0.6659(10) 0.3218(8) 0.034(5) Uani 1 1 d . . . . .
C107 C 1.5115(9) 0.6822(11) 0.3356(11) 0.047(6) Uani 1 1 d . . . . .
C108 C 1.5527(9) 0.6564(10) 0.2858(11) 0.052(6) Uani 1 1 d . . . . .
H10A H 1.599598 0.669390 0.288163 0.062 Uiso 1 1 calc R U . . .
H10B H 1.534131 0.669869 0.249564 0.062 Uiso 1 1 calc R U . . .
C109 C 1.5459(11) 0.5849(11) 0.2933(16) 0.079(10) Uani 1 1 d . . . . .
H10C H 1.522968 0.566028 0.261054 0.095 Uiso 1 1 calc R U . . .
H10D H 1.589648 0.565280 0.298290 0.095 Uiso 1 1 calc R U . . .
C110 C 1.5027(10) 0.5806(11) 0.3481(11) 0.048(7) Uani 1 1 d . . . . .
H110 H 1.504409 0.540707 0.368295 0.057 Uiso 1 1 calc R U . . .
C111 C 1.5254(10) 0.7498(10) 0.3453(13) 0.057(7) Uani 1 1 d . . . . .
H11D H 1.499585 0.764249 0.377293 0.085 Uiso 1 1 calc R U . . .
H11E H 1.512925 0.773053 0.311938 0.085 Uiso 1 1 calc R U . . .
H11F H 1.572743 0.755661 0.352788 0.085 Uiso 1 1 calc R U . . .
C112 C 1.5266(11) 0.6365(11) 0.3814(11) 0.051(7) Uani 1 1 d . . . . .
C113 C 1.4835(11) 0.6453(13) 0.4318(11) 0.059(8) Uani 1 1 d . . . . .
H11G H 1.490422 0.686370 0.446916 0.089 Uiso 1 1 calc R U . . .
H11H H 1.494971 0.614916 0.460173 0.089 Uiso 1 1 calc R U . . .
H11I H 1.436917 0.640443 0.421131 0.089 Uiso 1 1 calc R U . . .
C114 C 1.5971(10) 0.6323(11) 0.4016(12) 0.062(8) Uani 1 1 d . . . . .
H11J H 1.627220 0.632572 0.369504 0.093 Uiso 1 1 calc R U . . .
H11K H 1.603088 0.594396 0.422696 0.093 Uiso 1 1 calc R U . . .
H11L H 1.606930 0.667263 0.425745 0.093 Uiso 1 1 calc R U . . .
C151 C 1.0440(8) 0.7781(8) 0.2749(10) 0.036(5) Uani 1 1 d . . . . .
H151 H 0.999649 0.792468 0.276294 0.043 Uiso 1 1 calc R U . . .
C152 C 1.0942(7) 0.8181(8) 0.2863(9) 0.028(4) Uani 1 1 d . . . . .
H152 H 1.086074 0.859982 0.293765 0.033 Uiso 1 1 calc R U . . .
C153 C 1.1587(9) 0.7936(9) 0.2862(11) 0.040(5) Uani 1 1 d . . . . .
H153 H 1.194994 0.819998 0.293585 0.048 Uiso 1 1 calc R U . . .
C154 C 1.1166(8) 0.6986(8) 0.2633(7) 0.022(4) Uani 1 1 d . . . . .
C155 C 1.1325(9) 0.6347(8) 0.2507(9) 0.031(5) Uani 1 1 d . . . . .
C156 C 1.2149(10) 0.5652(9) 0.2240(10) 0.041(6) Uani 1 1 d . . . . .
H156 H 1.260315 0.556865 0.216839 0.049 Uiso 1 1 calc R U . . .
C157 C 1.1697(11) 0.5197(9) 0.2193(12) 0.049(6) Uani 1 1 d . . . . .
C158 C 1.1051(10) 0.5313(10) 0.2350(10) 0.044(6) Uani 1 1 d . . . . .
H158 H 1.072654 0.499910 0.234016 0.052 Uiso 1 1 calc R U . . .
C159 C 1.1869(12) 0.4559(12) 0.2031(16) 0.095(12) Uani 1 1 d . . . . .
H15A H 1.184698 0.451742 0.162439 0.143 Uiso 1 1 calc R U . . .
H15B H 1.155460 0.427520 0.220443 0.143 Uiso 1 1 calc R U . . .
H15C H 1.231858 0.446379 0.215910 0.143 Uiso 1 1 calc R U . . .
N1 N 1.0549(7) 0.7181(7) 0.2615(7) 0.031(4) Uani 1 1 d . . . . .
N2 N 1.1711(7) 0.7336(7) 0.2760(8) 0.035(4) Uani 1 1 d . . . . .
N3 N 1.1963(7) 0.6223(7) 0.2387(7) 0.030(4) Uani 1 1 d . . . . .
N4 N 1.0885(8) 0.5901(8) 0.2522(8) 0.036(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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
O5 Yb1 O1 147.3(5) . . ?
O5 Yb1 O3 86.7(5) . . ?
O1 Yb1 O3 116.7(5) . . ?
O5 Yb1 O2 87.2(5) . . ?
O1 Yb1 O2 77.8(5) . . ?
O3 Yb1 O2 75.7(5) . . ?
O5 Yb1 O7 89.4(5) . . ?
O1 Yb1 O7 88.0(5) . . ?
O3 Yb1 O7 136.6(5) . . ?
O2 Yb1 O7 147.3(4) . . ?
O5 Yb1 O4 139.2(4) . . ?
O1 Yb1 O4 72.2(5) . . ?
O3 Yb1 O4 74.8(5) . . ?
O2 Yb1 O4 121.3(5) . . ?
O7 Yb1 O4 80.6(5) . . ?
O5 Yb1 O6 74.1(5) . . ?
O1 Yb1 O6 74.2(5) . . ?
O3 Yb1 O6 146.8(5) . . ?
O2 Yb1 O6 76.5(5) . . ?
O7 Yb1 O6 71.3(4) . . ?
O4 Yb1 O6 136.4(4) . . ?
O5 Yb1 N1 71.2(4) . . ?
O1 Yb1 N1 135.3(5) . . ?
O3 Yb1 N1 72.7(5) . . ?
O2 Yb1 N1 142.3(5) . . ?
O7 Yb1 N1 65.2(4) . . ?
O4 Yb1 N1 68.7(5) . . ?
O6 Yb1 N1 123.5(5) . . ?
O5 Yb1 C4 131.3(5) . . ?
O1 Yb1 C4 18.2(5) . . ?
O3 Yb1 C4 117.6(5) . . ?
O2 Yb1 C4 62.4(5) . . ?
O7 Yb1 C4 97.0(5) . . ?
O4 Yb1 C4 89.3(5) . . ?
O6 Yb1 C4 62.8(5) . . ?
N1 Yb1 C4 153.1(5) . . ?
O5 Yb1 C6 98.4(5) . . ?
O1 Yb1 C6 61.9(5) . . ?
O3 Yb1 C6 89.2(5) . . ?
O2 Yb1 C6 17.0(5) . . ?
O7 Yb1 C6 134.1(5) . . ?
O4 Yb1 C6 117.0(5) . . ?
O6 Yb1 C6 67.7(5) . . ?
N1 Yb1 C6 159.2(5) . . ?
C4 Yb1 C6 45.7(5) . . ?
O63 Yb2 O61 150.1(5) . . ?
O63 Yb2 O65 79.0(5) . . ?
O61 Yb2 O65 119.3(5) . . ?
O63 Yb2 O64 75.2(5) . . ?
O61 Yb2 O64 78.4(5) . . ?
O65 Yb2 O64 147.6(5) . . ?
O63 Yb2 O66 84.3(5) . . ?
O61 Yb2 O66 78.1(5) . . ?
O65 Yb2 O66 76.6(5) . . ?
O64 Yb2 O66 81.6(5) . . ?
O63 Yb2 O62 133.6(5) . . ?
O61 Yb2 O62 76.3(5) . . ?
O65 Yb2 O62 72.9(5) . . ?
O64 Yb2 O62 139.5(4) . . ?
O66 Yb2 O62 122.6(5) . . ?
O63 Yb2 N2 106.7(6) . . ?
O61 Yb2 N2 78.3(5) . . ?
O65 Yb2 N2 134.1(5) . . ?
O64 Yb2 N2 73.1(5) . . ?
O66 Yb2 N2 148.2(5) . . ?
O62 Yb2 N2 71.3(5) . . ?
O63 Yb2 N3 69.7(5) . . ?
O61 Yb2 N3 133.9(5) . . ?
O65 Yb2 N3 78.4(5) . . ?
O64 Yb2 N3 109.9(5) . . ?
O66 Yb2 N3 146.8(5) . . ?
O62 Yb2 N3 68.9(6) . . ?
N2 Yb2 N3 62.6(5) . . ?
C4 O1 Yb1 128.6(14) . . ?
C6 O2 Yb1 130.2(13) . . ?
C24 O3 Yb1 136.4(15) . . ?
C26 O4 Yb1 134.5(14) . . ?
C44 O5 Yb1 137.1(12) . . ?
C46 O6 Yb1 132.5(14) . . ?
N4 O7 Yb1 120.6(11) . . ?
C64 O61 Yb2 133.0(13) . . ?
C66 O62 Yb2 131.3(13) . . ?
C84 O63 Yb2 137.1(14) . . ?
C86 O64 Yb2 131.0(14) . . ?
C104 O65 Yb2 138.0(14) . . ?
C106 O66 Yb2 131.1(13) . . ?
F1 C1 F3 108.7(14) . . ?
F1 C1 F2 109.3(14) . . ?
F3 C1 F2 109.7(14) . . ?
F1 C1 C2 109(2) . . ?
F3 C1 C2 112(2) . . ?
F2 C1 C2 108(2) . . ?
F4 C2 F5 110(3) . . ?
F4 C2 C1 106(2) . . ?
F5 C2 C1 102(2) . . ?
F4 C2 C3 105(3) . . ?
F5 C2 C3 112(3) . . ?
C1 C2 C3 121(2) . . ?
F1B C1B F2B 108.4(16) . . ?
F1B C1B F3B 108.6(16) . . ?
F2B C1B F3B 108.9(16) . . ?
F1B C1B C2B 113(3) . . ?
F2B C1B C2B 110(3) . . ?
F3B C1B C2B 108(3) . . ?
F4B C2B F5B 106(4) . . ?
F4B C2B C3 110(5) . . ?
F5B C2B C3 117(5) . . ?
F4B C2B C1B 106(3) . . ?
F5B C2B C1B 105(3) . . ?
C3 C2B C1B 112(3) . . ?
F6 C3 F7 106.2(18) . . ?
F6 C3 C2B 106(2) . . ?
F7 C3 C2B 111(3) . . ?
F6 C3 C4 113.4(19) . . ?
F7 C3 C4 108(2) . . ?
C2B C3 C4 113(3) . . ?
F6 C3 C2 104(2) . . ?
F7 C3 C2 110(2) . . ?
C4 C3 C2 116(2) . . ?
O1 C4 C5 128(2) . . ?
O1 C4 C3 113.8(19) . . ?
C5 C4 C3 118(2) . . ?
O1 C4 Yb1 33.2(10) . . ?
C5 C4 Yb1 97.8(15) . . ?
C3 C4 Yb1 141.9(15) . . ?
C4 C5 C6 120(2) . . ?
C4 C5 C10 135(2) . . ?
C6 C5 C10 105.3(18) . . ?
O2 C6 C5 127.7(19) . . ?
O2 C6 C7 127.6(18) . . ?
C5 C6 C7 104.5(18) . . ?
O2 C6 Yb1 32.8(9) . . ?
C5 C6 Yb1 95.0(13) . . ?
C7 C6 Yb1 158.6(14) . . ?
C12 C7 C6 102.3(17) . . ?
C12 C7 C11 120(2) . . ?
C6 C7 C11 113.0(17) . . ?
C12 C7 C8 105.0(18) . . ?
C6 C7 C8 102.5(18) . . ?
C11 C7 C8 111.8(18) . . ?
C7 C8 C9 101.2(17) . . ?
C7 C8 H8A 111.5 . . ?
C9 C8 H8A 111.5 . . ?
C7 C8 H8B 111.5 . . ?
C9 C8 H8B 111.5 . . ?
H8A C8 H8B 109.4 . . ?
C10 C9 C8 104.3(19) . . ?
C10 C9 H9A 110.9 . . ?
C8 C9 H9A 110.9 . . ?
C10 C9 H9B 110.9 . . ?
C8 C9 H9B 110.9 . . ?
H9A C9 H9B 108.9 . . ?
C9 C10 C5 103.6(19) . . ?
C9 C10 C12 103.6(19) . . ?
C5 C10 C12 98.3(17) . . ?
C9 C10 H10 116.3 . . ?
C5 C10 H10 116.3 . . ?
C12 C10 H10 116.3 . . ?
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 . . ?
C7 C12 C13 116(2) . . ?
C7 C12 C10 94.7(19) . . ?
C13 C12 C10 113.9(19) . . ?
C7 C12 C14 114.4(19) . . ?
C13 C12 C14 107(2) . . ?
C10 C12 C14 111.4(19) . . ?
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 . . ?
F21 C21 F23 104(2) . . ?
F21 C21 F22 104(2) . . ?
F23 C21 F22 104(2) . . ?
F21 C21 C22 119(3) . . ?
F23 C21 C22 119(3) . . ?
F22 C21 C22 104(3) . . ?
F24 C22 C21 107(3) . . ?
F24 C22 F25 111(4) . . ?
C21 C22 F25 99(3) . . ?
F24 C22 C23 113(4) . . ?
C21 C22 C23 116(3) . . ?
F25 C22 C23 110(4) . . ?
F21B C21B F23B 104.6(19) . . ?
F21B C21B F22B 104.3(19) . . ?
F23B C21B F22B 104.3(19) . . ?
F21B C21B C22B 116(3) . . ?
F23B C21B C22B 117(3) . . ?
F22B C21B C22B 109(3) . . ?
F24B C22B C21B 109(3) . . ?
F24B C22B F25B 105(3) . . ?
C21B C22B F25B 97(3) . . ?
F24B C22B C23 118(3) . . ?
C21B C22B C23 119(3) . . ?
F25B C22B C23 106(3) . . ?
F27 C23 F26 105(2) . . ?
F27 C23 C24 117(2) . . ?
F26 C23 C24 111(2) . . ?
F27 C23 C22 97(3) . . ?
F26 C23 C22 100(2) . . ?
C24 C23 C22 123(3) . . ?
F27 C23 C22B 110(3) . . ?
F26 C23 C22B 97(2) . . ?
C24 C23 C22B 114(3) . . ?
O3 C24 C25 126(2) . . ?
O3 C24 C23 109(2) . . ?
C25 C24 C23 126(2) . . ?
C24 C25 C26 120(2) . . ?
C24 C25 C30 133(2) . . ?
C26 C25 C30 106(2) . . ?
O4 C26 C25 127(2) . . ?
O4 C26 C27 128(2) . . ?
C25 C26 C27 104(2) . . ?
C26 C27 C31 113(2) . . ?
C26 C27 C28 106(2) . . ?
C31 C27 C28 114(2) . . ?
C26 C27 C32 99.8(18) . . ?
C31 C27 C32 120(2) . . ?
C28 C27 C32 103(2) . . ?
C29 C28 C27 102(2) . . ?
C29 C28 H28A 111.5 . . ?
C27 C28 H28A 111.5 . . ?
C29 C28 H28B 111.5 . . ?
C27 C28 H28B 111.5 . . ?
H28A C28 H28B 109.3 . . ?
C30 C29 C28 105(2) . . ?
C30 C29 H29A 110.8 . . ?
C28 C29 H29A 110.8 . . ?
C30 C29 H29B 110.8 . . ?
C28 C29 H29B 110.8 . . ?
H29A C29 H29B 108.9 . . ?
C29 C30 C25 108(2) . . ?
C29 C30 C32 104(2) . . ?
C25 C30 C32 99(2) . . ?
C29 C30 H30 115.0 . . ?
C25 C30 H30 115.0 . . ?
C32 C30 H30 115.0 . . ?
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 . . ?
C30 C32 C34 116(2) . . ?
C30 C32 C27 93(2) . . ?
C34 C32 C27 114(2) . . ?
C30 C32 C33 113(2) . . ?
C34 C32 C33 108(2) . . ?
C27 C32 C33 112(2) . . ?
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 . . ?
F42 C41 F43 111(2) . . ?
F42 C41 F41 105.4(18) . . ?
F43 C41 F41 110.6(19) . . ?
F42 C41 C42 111.6(18) . . ?
F43 C41 C42 107.2(19) . . ?
F41 C41 C42 110.9(19) . . ?
F44 C42 F45 109.0(18) . . ?
F44 C42 C41 106.2(17) . . ?
F45 C42 C41 103.4(18) . . ?
F44 C42 C43 108.0(18) . . ?
F45 C42 C43 110.0(18) . . ?
C41 C42 C43 119.8(18) . . ?
F47 C43 F46 110(2) . . ?
F47 C43 C44 112.6(19) . . ?
F46 C43 C44 111.9(17) . . ?
F47 C43 C42 107.7(18) . . ?
F46 C43 C42 101.8(17) . . ?
C44 C43 C42 112.1(18) . . ?
O5 C44 C45 126.9(19) . . ?
O5 C44 C43 109.4(18) . . ?
C45 C44 C43 123.7(19) . . ?
C44 C45 C46 120.0(19) . . ?
C44 C45 C50 135.6(19) . . ?
C46 C45 C50 103.8(17) . . ?
O6 C46 C47 124.0(19) . . ?
O6 C46 C45 126.9(19) . . ?
C47 C46 C45 109.0(18) . . ?
C46 C47 C51 119.2(19) . . ?
C46 C47 C52 100.0(16) . . ?
C51 C47 C52 118.0(19) . . ?
C46 C47 C48 102.2(17) . . ?
C51 C47 C48 113.8(17) . . ?
C52 C47 C48 100.8(17) . . ?
C49 C48 C47 102.9(16) . . ?
C49 C48 H48A 111.2 . . ?
C47 C48 H48A 111.2 . . ?
C49 C48 H48B 111.2 . . ?
C47 C48 H48B 111.2 . . ?
H48A C48 H48B 109.1 . . ?
C50 C49 C48 102.4(17) . . ?
C50 C49 H49A 111.3 . . ?
C48 C49 H49A 111.3 . . ?
C50 C49 H49B 111.3 . . ?
C48 C49 H49B 111.3 . . ?
H49A C49 H49B 109.2 . . ?
C45 C50 C49 107.2(19) . . ?
C45 C50 C52 99.4(18) . . ?
C49 C50 C52 105.0(18) . . ?
C45 C50 H50 114.6 . . ?
C49 C50 H50 114.6 . . ?
C52 C50 H50 114.6 . . ?
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 C53 109.1(19) . . ?
C54 C52 C47 115.2(18) . . ?
C53 C52 C47 113.2(19) . . ?
C54 C52 C50 112(2) . . ?
C53 C52 C50 112.7(17) . . ?
C47 C52 C50 94.0(17) . . ?
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 . . ?
F61 C61 F62 109.1(15) . . ?
F62B C61 F63B 107.5(18) . . ?
F61 C61 F63 108.1(14) . . ?
F62 C61 F63 107.4(14) . . ?
F62B C61 F61B 106.7(18) . . ?
F63B C61 F61B 106.5(17) . . ?
F61 C61 C62 113.4(17) . . ?
F62 C61 C62 109.9(19) . . ?
F62B C61 C62 124(3) . . ?
F63B C61 C62 119(3) . . ?
F63 C61 C62 108.8(18) . . ?
F61B C61 C62 89(4) . . ?
F65 C62 F64 106.3(17) . . ?
F65 C62 C63 110(2) . . ?
F64 C62 C63 109.0(19) . . ?
F65 C62 C61 104.2(16) . . ?
F64 C62 C61 106.8(18) . . ?
C63 C62 C61 119.5(18) . . ?
C62 C63 F66 106.6(19) . . ?
C62 C63 F67 106.1(18) . . ?
F66 C63 F67 103.6(17) . . ?
C62 C63 C64 122(2) . . ?
F66 C63 C64 110.5(18) . . ?
F67 C63 C64 106.4(17) . . ?
O61 C64 C65 127(2) . . ?
O61 C64 C63 110.6(19) . . ?
C65 C64 C63 122(2) . . ?
C64 C65 C66 123(2) . . ?
C64 C65 C70 129(2) . . ?
C66 C65 C70 107(2) . . ?
O62 C66 C65 128(2) . . ?
O62 C66 C67 126.5(19) . . ?
C65 C66 C67 105(2) . . ?
C66 C67 C68 104.9(18) . . ?
C66 C67 C72 103.1(19) . . ?
C68 C67 C72 104.2(19) . . ?
C66 C67 C71 113(2) . . ?
C68 C67 C71 112.5(19) . . ?
C72 C67 C71 118(2) . . ?
C67 C68 C69 102.3(17) . . ?
C67 C68 H68A 111.3 . . ?
C69 C68 H68A 111.3 . . ?
C67 C68 H68B 111.3 . . ?
C69 C68 H68B 111.3 . . ?
H68A C68 H68B 109.2 . . ?
C68 C69 C70 103.5(17) . . ?
C68 C69 H69A 111.1 . . ?
C70 C69 H69A 111.1 . . ?
C68 C69 H69B 111.1 . . ?
C70 C69 H69B 111.1 . . ?
H69A C69 H69B 109.0 . . ?
C65 C70 C69 103(2) . . ?
C65 C70 C72 101(2) . . ?
C69 C70 C72 100.5(19) . . ?
C65 C70 H70 116.7 . . ?
C69 C70 H70 116.7 . . ?
C72 C70 H70 116.7 . . ?
C67 C71 H71A 109.5 . . ?
C67 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C67 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C73 C72 C74 109(2) . . ?
C73 C72 C67 116(2) . . ?
C74 C72 C67 112(2) . . ?
C73 C72 C70 115(2) . . ?
C74 C72 C70 113(2) . . ?
C67 C72 C70 91.6(19) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
F81 C81 F82 108.3(18) . . ?
F81 C81 F83 108.2(17) . . ?
F82 C81 F83 108.3(17) . . ?
F81 C81 C82 112(3) . . ?
F82 C81 C82 110(2) . . ?
F83 C81 C82 110(2) . . ?
F85 C82 F84 108(3) . . ?
F85 C82 C81 108(3) . . ?
F84 C82 C81 104(2) . . ?
F85 C82 C83 110(3) . . ?
F84 C82 C83 106(3) . . ?
C81 C82 C83 120(3) . . ?
F82B C81B F83B 107.7(19) . . ?
F82B C81B F81B 107.8(19) . . ?
F83B C81B F81B 107.5(19) . . ?
F82B C81B C82B 111(3) . . ?
F83B C81B C82B 110(3) . . ?
F81B C81B C82B 112(3) . . ?
F85B C82B F84B 104(4) . . ?
F85B C82B C81B 111(4) . . ?
F84B C82B C81B 109(3) . . ?
F85B C82B C83 110(4) . . ?
F84B C82B C83 97(4) . . ?
C81B C82B C83 123(4) . . ?
F86 C83 F87 108(2) . . ?
F86 C83 C82B 100(3) . . ?
F87 C83 C82B 110(3) . . ?
F86 C83 C82 108(2) . . ?
F87 C83 C82 104(2) . . ?
F86 C83 C84 113(2) . . ?
F87 C83 C84 108.5(18) . . ?
C82B C83 C84 117(3) . . ?
C82 C83 C84 115(2) . . ?
O63 C84 C85 124(2) . . ?
O63 C84 C83 114(2) . . ?
C85 C84 C83 121(2) . . ?
C84 C85 C86 119(2) . . ?
C84 C85 C90 133(2) . . ?
C86 C85 C90 107(2) . . ?
C89 C90 C85 108.3(18) . . ?
C89 C90 C92 104(2) . . ?
C85 C90 C92 100(2) . . ?
C89 C90 H90 114.5 . . ?
C85 C90 H90 114.5 . . ?
C92 C90 H90 114.5 . . ?
C90 C89 C88 100(2) . . ?
C90 C89 H89A 111.7 . . ?
C88 C89 H89A 111.7 . . ?
C90 C89 H89B 111.7 . . ?
C88 C89 H89B 111.7 . . ?
H89A C89 H89B 109.5 . . ?
C87 C88 C89 106.1(19) . . ?
C87 C88 H88A 110.5 . . ?
C89 C88 H88A 110.5 . . ?
C87 C88 H88B 110.5 . . ?
C89 C88 H88B 110.5 . . ?
H88A C88 H88B 108.7 . . ?
C86 C87 C91 111.5(18) . . ?
C86 C87 C88 104.9(18) . . ?
C91 C87 C88 117.0(19) . . ?
C86 C87 C92 101.8(18) . . ?
C91 C87 C92 118.8(18) . . ?
C88 C87 C92 100.8(18) . . ?
O64 C86 C85 128(2) . . ?
O64 C86 C87 129(2) . . ?
C85 C86 C87 103.5(19) . . ?
C87 C91 H91A 109.5 . . ?
C87 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C87 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C94 C92 C87 113(2) . . ?
C94 C92 C93 112(2) . . ?
C87 C92 C93 112(2) . . ?
C94 C92 C90 110(2) . . ?
C87 C92 C90 92.5(17) . . ?
C93 C92 C90 116(2) . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C92 C94 H94A 109.5 . . ?
C92 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C92 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
F102 C101 F103 112.2(17) . . ?
F102 C101 F101 108.8(16) . . ?
F103 C101 F101 112.6(16) . . ?
F102 C101 C102 108.9(15) . . ?
F103 C101 C102 106.2(15) . . ?
F101 C101 C102 107.8(15) . . ?
F104 C102 F105 114(2) . . ?
F104 C102 C101 99.6(19) . . ?
F105 C102 C101 98.9(18) . . ?
F104 C102 C103 129(2) . . ?
F105 C102 C103 102(2) . . ?
C101 C102 C103 108.7(19) . . ?
F202 C201 F203 110.3(18) . . ?
F202 C201 F201 109.7(18) . . ?
F203 C201 F201 110.0(18) . . ?
F202 C201 C202 109.3(17) . . ?
F203 C201 C202 108.9(17) . . ?
F201 C201 C202 108.7(17) . . ?
F204 C202 F205 116(4) . . ?
F204 C202 C201 103(3) . . ?
F205 C202 C201 103(3) . . ?
F204 C202 C103 122(7) . . ?
F205 C202 C103 107(6) . . ?
C201 C202 C103 103(3) . . ?
F107 C103 F106 109(2) . . ?
F107 C103 C104 113(2) . . ?
F106 C103 C104 106(2) . . ?
F107 C103 C202 98(3) . . ?
F106 C103 C202 118(3) . . ?
C104 C103 C202 113(2) . . ?
F107 C103 C102 122(2) . . ?
F106 C103 C102 89.9(17) . . ?
C104 C103 C102 113(2) . . ?
O65 C104 C105 121(2) . . ?
O65 C104 C103 116(2) . . ?
C105 C104 C103 123(2) . . ?
C106 C105 C104 123(2) . . ?
C106 C105 C110 106.5(19) . . ?
C104 C105 C110 130(2) . . ?
O66 C106 C105 128.8(19) . . ?
O66 C106 C107 126.2(19) . . ?
C105 C106 C107 105.1(19) . . ?
C112 C107 C111 120(2) . . ?
C112 C107 C106 101.2(18) . . ?
C111 C107 C106 115.7(18) . . ?
C112 C107 C108 102.0(19) . . ?
C111 C107 C108 112(2) . . ?
C106 C107 C108 104.8(18) . . ?
C107 C108 C109 103(2) . . ?
C107 C108 H10A 111.2 . . ?
C109 C108 H10A 111.2 . . ?
C107 C108 H10B 111.2 . . ?
C109 C108 H10B 111.2 . . ?
H10A C108 H10B 109.1 . . ?
C110 C109 C108 102(2) . . ?
C110 C109 H10C 111.5 . . ?
C108 C109 H10C 111.5 . . ?
C110 C109 H10D 111.5 . . ?
C108 C109 H10D 111.5 . . ?
H10C C109 H10D 109.3 . . ?
C105 C110 C112 100.7(18) . . ?
C105 C110 C109 105(2) . . ?
C112 C110 C109 102(2) . . ?
C105 C110 H110 115.8 . . ?
C112 C110 H110 115.8 . . ?
C109 C110 H110 115.8 . . ?
C107 C111 H11D 109.5 . . ?
C107 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C107 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C113 C112 C114 107(2) . . ?
C113 C112 C107 112(2) . . ?
C114 C112 C107 118(2) . . ?
C113 C112 C110 110(2) . . ?
C114 C112 C110 114.5(19) . . ?
C107 C112 C110 95(2) . . ?
C112 C113 H11G 109.5 . . ?
C112 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C112 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
C112 C114 H11J 109.5 . . ?
C112 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C112 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
C152 C151 N1 122.8(16) . . ?
C152 C151 H151 118.6 . . ?
N1 C151 H151 118.6 . . ?
C151 C152 C153 116.2(17) . . ?
C151 C152 H152 121.9 . . ?
C153 C152 H152 121.9 . . ?
N2 C153 C152 122.5(17) . . ?
N2 C153 H153 118.7 . . ?
C152 C153 H153 118.7 . . ?
N1 C154 N2 125.6(16) . . ?
N1 C154 C155 120.6(16) . . ?
N2 C154 C155 113.8(15) . . ?
N4 C155 N3 120.0(17) . . ?
N4 C155 C154 123.6(18) . . ?
N3 C155 C154 116.4(15) . . ?
N3 C156 C157 121.0(19) . . ?
N3 C156 H156 119.5 . . ?
C157 C156 H156 119.5 . . ?
C156 C157 C158 118(2) . . ?
C156 C157 C159 124(2) . . ?
C158 C157 C159 118(2) . . ?
C157 C158 N4 118.5(18) . . ?
C157 C158 H158 120.7 . . ?
N4 C158 H158 120.7 . . ?
C157 C159 H15A 109.5 . . ?
C157 C159 H15B 109.5 . . ?
H15A C159 H15B 109.5 . . ?
C157 C159 H15C 109.5 . . ?
H15A C159 H15C 109.5 . . ?
H15B C159 H15C 109.5 . . ?
C154 N1 C151 117.1(15) . . ?
C154 N1 Yb1 125.7(12) . . ?
C151 N1 Yb1 116.5(11) . . ?
C153 N2 C154 115.6(14) . . ?
C153 N2 Yb2 122.2(12) . . ?
C154 N2 Yb2 122.0(11) . . ?
C155 N3 C156 120.4(16) . . ?
C155 N3 Yb2 117.0(12) . . ?
C156 N3 Yb2 116.2(11) . . ?
C155 N4 O7 123.1(17) . . ?
C155 N4 C158 121.0(17) . . ?
O7 N4 C158 115.9(16) . . ?
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 O5 2.220(13) . ?
Yb1 O1 2.226(14) . ?
Yb1 O3 2.240(14) . ?
Yb1 O2 2.276(12) . ?
Yb1 O7 2.311(12) . ?
Yb1 O4 2.327(12) . ?
Yb1 O6 2.369(15) . ?
Yb1 N1 2.676(15) . ?
Yb1 C4 3.17(2) . ?
Yb1 C6 3.21(2) . ?
Yb2 O63 2.219(14) . ?
Yb2 O61 2.234(14) . ?
Yb2 O65 2.237(13) . ?
Yb2 O64 2.283(13) . ?
Yb2 O66 2.309(13) . ?
Yb2 O62 2.339(15) . ?
Yb2 N2 2.521(14) . ?
Yb2 N3 2.571(15) . ?
O1 C4 1.27(2) . ?
O2 C6 1.23(2) . ?
O3 C24 1.30(3) . ?
O4 C26 1.21(2) . ?
O5 C44 1.29(2) . ?
O6 C46 1.23(2) . ?
O7 N4 1.352(19) . ?
O61 C64 1.35(3) . ?
O62 C66 1.27(2) . ?
O63 C84 1.26(3) . ?
O64 C86 1.24(2) . ?
O65 C104 1.28(2) . ?
O66 C106 1.25(2) . ?
F1 C1 1.353(15) . ?
F2 C1 1.355(14) . ?
F3 C1 1.353(15) . ?
C1 C2 1.50(2) . ?
F4 C2 1.38(3) . ?
F5 C2 1.42(3) . ?
C2 C3 1.55(4) . ?
F1B C1B 1.355(15) . ?
F2B C1B 1.356(15) . ?
F3B C1B 1.356(15) . ?
C1B C2B 1.50(3) . ?
F4B C2B 1.39(3) . ?
F5B C2B 1.42(4) . ?
C2B C3 1.55(6) . ?
F6 C3 1.32(2) . ?
F7 C3 1.33(3) . ?
C3 C4 1.55(3) . ?
C4 C5 1.40(3) . ?
C5 C6 1.46(3) . ?
C5 C10 1.56(3) . ?
C6 C7 1.54(3) . ?
C7 C12 1.49(3) . ?
C7 C11 1.54(3) . ?
C7 C8 1.55(3) . ?
C8 C9 1.59(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.49(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C12 1.58(3) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.53(3) . ?
C12 C14 1.61(3) . ?
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 1.361(18) . ?
F22 C21 1.366(18) . ?
F23 C21 1.364(18) . ?
C21 C22 1.40(4) . ?
F24 C22 1.31(4) . ?
F25 C22 1.52(5) . ?
C22 C23 1.53(5) . ?
F21B C21B 1.359(18) . ?
F22B C21B 1.366(18) . ?
F23B C21B 1.364(17) . ?
C21B C22B 1.40(4) . ?
F24B C22B 1.31(3) . ?
F25B C22B 1.53(4) . ?
C22B C23 1.62(4) . ?
F26 C23 1.36(3) . ?
F27 C23 1.29(3) . ?
C23 C24 1.49(3) . ?
C24 C25 1.39(3) . ?
C25 C26 1.46(3) . ?
C25 C30 1.51(3) . ?
C26 C27 1.48(3) . ?
C27 C31 1.53(3) . ?
C27 C28 1.57(3) . ?
C27 C32 1.58(3) . ?
C28 C29 1.56(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.48(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C32 1.52(4) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C34 1.53(3) . ?
C32 C33 1.63(4) . ?
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 1.34(2) . ?
F42 C41 1.31(2) . ?
F43 C41 1.34(2) . ?
C41 C42 1.48(3) . ?
F44 C42 1.33(2) . ?
F45 C42 1.42(2) . ?
C42 C43 1.61(3) . ?
F46 C43 1.31(2) . ?
F47 C43 1.31(3) . ?
C43 C44 1.54(3) . ?
C44 C45 1.37(3) . ?
C45 C46 1.46(3) . ?
C45 C50 1.50(3) . ?
C46 C47 1.44(3) . ?
C47 C51 1.45(3) . ?
C47 C52 1.57(3) . ?
C47 C48 1.61(3) . ?
C48 C49 1.60(3) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.50(3) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C52 1.56(3) . ?
C50 H50 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C54 1.53(3) . ?
C52 C53 1.54(3) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
F61 C61 1.312(15) . ?
F62 C61 1.320(15) . ?
F63 C61 1.332(15) . ?
F61B C61 1.336(16) . ?
F62B C61 1.326(16) . ?
F63B C61 1.329(16) . ?
C61 C62 1.59(3) . ?
F64 C62 1.39(3) . ?
F65 C62 1.37(2) . ?
C62 C63 1.40(3) . ?
F66 C63 1.41(3) . ?
F67 C63 1.41(2) . ?
C63 C64 1.53(3) . ?
C64 C65 1.36(3) . ?
C65 C66 1.38(3) . ?
C65 C70 1.54(3) . ?
C66 C67 1.51(3) . ?
C67 C68 1.53(3) . ?
C67 C72 1.54(3) . ?
C67 C71 1.56(3) . ?
C68 C69 1.55(3) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C70 1.56(3) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C72 1.58(3) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C73 1.45(3) . ?
C72 C74 1.53(3) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
F81 C81 1.329(17) . ?
F82 C81 1.331(17) . ?
F83 C81 1.331(17) . ?
C81 C82 1.48(4) . ?
F84 C82 1.46(4) . ?
F85 C82 1.35(4) . ?
C82 C83 1.54(4) . ?
F81B C81B 1.335(17) . ?
F82B C81B 1.334(17) . ?
F83B C81B 1.335(17) . ?
C81B C82B 1.48(4) . ?
F84B C82B 1.46(4) . ?
F85B C82B 1.35(4) . ?
C82B C83 1.49(6) . ?
F86 C83 1.32(3) . ?
F87 C83 1.33(2) . ?
C83 C84 1.55(3) . ?
C84 C85 1.41(3) . ?
C85 C86 1.46(3) . ?
C85 C90 1.52(3) . ?
C90 C89 1.50(3) . ?
C90 C92 1.57(3) . ?
C90 H90 1.0000 . ?
C89 C88 1.57(3) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C88 C87 1.54(3) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C87 C86 1.52(3) . ?
C87 C91 1.53(3) . ?
C87 C92 1.56(3) . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C94 1.53(3) . ?
C92 C93 1.56(3) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
F101 C101 1.327(18) . ?
F102 C101 1.302(18) . ?
F103 C101 1.323(18) . ?
C101 C102 1.50(2) . ?
F104 C102 1.34(2) . ?
F105 C102 1.46(3) . ?
C102 C103 1.54(3) . ?
F201 C201 1.32(2) . ?
F202 C201 1.31(2) . ?
F203 C201 1.31(2) . ?
C201 C202 1.48(3) . ?
F204 C202 1.35(3) . ?
F205 C202 1.43(3) . ?
C202 C103 1.54(4) . ?
F106 C103 1.34(3) . ?
F107 C103 1.30(3) . ?
C103 C104 1.51(3) . ?
C104 C105 1.44(3) . ?
C105 C106 1.43(3) . ?
C105 C110 1.50(3) . ?
C106 C107 1.53(3) . ?
C107 C112 1.52(3) . ?
C107 C111 1.53(3) . ?
C107 C108 1.56(3) . ?
C108 C109 1.58(3) . ?
C108 H10A 0.9900 . ?
C108 H10B 0.9900 . ?
C109 C110 1.58(4) . ?
C109 H10C 0.9900 . ?
C109 H10D 0.9900 . ?
C110 C112 1.54(3) . ?
C110 H110 1.0000 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 C113 1.50(3) . ?
C112 C114 1.51(3) . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C151 C152 1.37(2) . ?
C151 N1 1.37(2) . ?
C151 H151 0.9500 . ?
C152 C153 1.41(2) . ?
C152 H152 0.9500 . ?
C153 N2 1.36(2) . ?
C153 H153 0.9500 . ?
C154 N1 1.32(2) . ?
C154 N2 1.37(2) . ?
C154 C155 1.47(2) . ?
C155 N4 1.32(2) . ?
C155 N3 1.35(2) . ?
C156 N3 1.35(2) . ?
C156 C157 1.36(3) . ?
C156 H156 0.9500 . ?
C157 C158 1.38(3) . ?
C157 C159 1.49(3) . ?
C158 N4 1.40(3) . ?
C158 H158 0.9500 . ?
C159 H15A 0.9800 . ?
C159 H15B 0.9800 . ?
C159 H15C 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
F1 C1 C2 F4 180(2) . . . . ?
F3 C1 C2 F4 60(3) . . . . ?
F2 C1 C2 F4 -61(3) . . . . ?
F1 C1 C2 F5 64(2) . . . . ?
F3 C1 C2 F5 -56(3) . . . . ?
F2 C1 C2 F5 -177(2) . . . . ?
F1 C1 C2 C3 -61(3) . . . . ?
F3 C1 C2 C3 179(3) . . . . ?
F2 C1 C2 C3 58(3) . . . . ?
F1B C1B C2B F4B 162(4) . . . . ?
F2B C1B C2B F4B -77(5) . . . . ?
F3B C1B C2B F4B 42(5) . . . . ?
F1B C1B C2B F5B 50(5) . . . . ?
F2B C1B C2B F5B 172(4) . . . . ?
F3B C1B C2B F5B -70(5) . . . . ?
F1B C1B C2B C3 -78(4) . . . . ?
F2B C1B C2B C3 44(4) . . . . ?
F3B C1B C2B C3 162(4) . . . . ?
F4B C2B C3 F6 -53(4) . . . . ?
F5B C2B C3 F6 67(4) . . . . ?
C1B C2B C3 F6 -171(3) . . . . ?
F4B C2B C3 F7 61(4) . . . . ?
F5B C2B C3 F7 -178(3) . . . . ?
C1B C2B C3 F7 -56(4) . . . . ?
F4B C2B C3 C4 -178(3) . . . . ?
F5B C2B C3 C4 -57(4) . . . . ?
C1B C2B C3 C4 64(4) . . . . ?
F4 C2 C3 F6 -69(3) . . . . ?
F5 C2 C3 F6 50(3) . . . . ?
C1 C2 C3 F6 171(2) . . . . ?
F4 C2 C3 F7 44(3) . . . . ?
F5 C2 C3 F7 163(2) . . . . ?
C1 C2 C3 F7 -76(3) . . . . ?
F4 C2 C3 C4 166(2) . . . . ?
F5 C2 C3 C4 -75(3) . . . . ?
C1 C2 C3 C4 46(4) . . . . ?
Yb1 O1 C4 C5 30(3) . . . . ?
Yb1 O1 C4 C3 -153.8(15) . . . . ?
F6 C3 C4 O1 151(2) . . . . ?
F7 C3 C4 O1 34(3) . . . . ?
C2B C3 C4 O1 -88(3) . . . . ?
C2 C3 C4 O1 -89(3) . . . . ?
F6 C3 C4 C5 -32(3) . . . . ?
F7 C3 C4 C5 -149(2) . . . . ?
C2B C3 C4 C5 88(3) . . . . ?
C2 C3 C4 C5 87(3) . . . . ?
F6 C3 C4 Yb1 128(2) . . . . ?
F7 C3 C4 Yb1 11(3) . . . . ?
C2B C3 C4 Yb1 -111(3) . . . . ?
C2 C3 C4 Yb1 -112(3) . . . . ?
O1 C4 C5 C6 -4(4) . . . . ?
C3 C4 C5 C6 -180(2) . . . . ?
Yb1 C4 C5 C6 12(2) . . . . ?
O1 C4 C5 C10 175(2) . . . . ?
C3 C4 C5 C10 -1(4) . . . . ?
Yb1 C4 C5 C10 -169(3) . . . . ?
Yb1 O2 C6 C5 -7(3) . . . . ?
Yb1 O2 C6 C7 167.1(16) . . . . ?
C4 C5 C6 O2 -9(4) . . . . ?
C10 C5 C6 O2 172(2) . . . . ?
C4 C5 C6 C7 176(2) . . . . ?
C10 C5 C6 C7 -3(2) . . . . ?
C4 C5 C6 Yb1 -12(2) . . . . ?
C10 C5 C6 Yb1 168.8(15) . . . . ?
O2 C6 C7 C12 151(2) . . . . ?
C5 C6 C7 C12 -34(2) . . . . ?
Yb1 C6 C7 C12 170(3) . . . . ?
O2 C6 C7 C11 20(3) . . . . ?
C5 C6 C7 C11 -165(2) . . . . ?
Yb1 C6 C7 C11 39(5) . . . . ?
O2 C6 C7 C8 -100(3) . . . . ?
C5 C6 C7 C8 75(2) . . . . ?
Yb1 C6 C7 C8 -81(4) . . . . ?
C12 C7 C8 C9 35(2) . . . . ?
C6 C7 C8 C9 -71.8(19) . . . . ?
C11 C7 C8 C9 167.0(17) . . . . ?
C7 C8 C9 C10 0(2) . . . . ?
C8 C9 C10 C5 70(2) . . . . ?
C8 C9 C10 C12 -32(2) . . . . ?
C4 C5 C10 C9 110(3) . . . . ?
C6 C5 C10 C9 -71(2) . . . . ?
C4 C5 C10 C12 -143(3) . . . . ?
C6 C5 C10 C12 35(2) . . . . ?
C6 C7 C12 C13 -65(2) . . . . ?
C11 C7 C12 C13 61(3) . . . . ?
C8 C7 C12 C13 -171.8(18) . . . . ?
C6 C7 C12 C10 54.2(19) . . . . ?
C11 C7 C12 C10 -179.5(18) . . . . ?
C8 C7 C12 C10 -52.4(18) . . . . ?
C6 C7 C12 C14 170(2) . . . . ?
C11 C7 C12 C14 -64(3) . . . . ?
C8 C7 C12 C14 64(2) . . . . ?
C9 C10 C12 C7 52.0(19) . . . . ?
C5 C10 C12 C7 -54.3(19) . . . . ?
C9 C10 C12 C13 172.9(19) . . . . ?
C5 C10 C12 C13 67(2) . . . . ?
C9 C10 C12 C14 -66(2) . . . . ?
C5 C10 C12 C14 -173(2) . . . . ?
F21 C21 C22 F24 44(5) . . . . ?
F23 C21 C22 F24 173(4) . . . . ?
F22 C21 C22 F24 -72(4) . . . . ?
F21 C21 C22 F25 -71(4) . . . . ?
F23 C21 C22 F25 58(4) . . . . ?
F22 C21 C22 F25 173(3) . . . . ?
F21 C21 C22 C23 171(4) . . . . ?
F23 C21 C22 C23 -59(5) . . . . ?
F22 C21 C22 C23 56(5) . . . . ?
F21B C21B C22B F24B 38(4) . . . . ?
F23B C21B C22B F24B 163(3) . . . . ?
F22B C21B C22B F24B -80(3) . . . . ?
F21B C21B C22B F25B -71(3) . . . . ?
F23B C21B C22B F25B 54(3) . . . . ?
F22B C21B C22B F25B 172(2) . . . . ?
F21B C21B C22B C23 177(3) . . . . ?
F23B C21B C22B C23 -59(4) . . . . ?
F22B C21B C22B C23 59(4) . . . . ?
F24 C22 C23 F27 39(4) . . . . ?
C21 C22 C23 F27 -86(4) . . . . ?
F25 C22 C23 F27 163(3) . . . . ?
F24 C22 C23 F26 -68(4) . . . . ?
C21 C22 C23 F26 167(4) . . . . ?
F25 C22 C23 F26 56(4) . . . . ?
F24 C22 C23 C24 169(4) . . . . ?
C21 C22 C23 C24 44(6) . . . . ?
F25 C22 C23 C24 -67(4) . . . . ?
F24B C22B C23 F27 54(4) . . . . ?
C21B C22B C23 F27 -81(4) . . . . ?
F25B C22B C23 F27 172(2) . . . . ?
F24B C22B C23 F26 -55(4) . . . . ?
C21B C22B C23 F26 170(3) . . . . ?
F25B C22B C23 F26 63(3) . . . . ?
F24B C22B C23 C24 -171(3) . . . . ?
C21B C22B C23 C24 54(5) . . . . ?
F25B C22B C23 C24 -53(3) . . . . ?
Yb1 O3 C24 C25 5(4) . . . . ?
Yb1 O3 C24 C23 -173.6(14) . . . . ?
F27 C23 C24 O3 36(3) . . . . ?
F26 C23 C24 O3 157(2) . . . . ?
C22 C23 C24 O3 -85(4) . . . . ?
C22B C23 C24 O3 -96(3) . . . . ?
F27 C23 C24 C25 -143(3) . . . . ?
F26 C23 C24 C25 -22(4) . . . . ?
C22 C23 C24 C25 96(4) . . . . ?
C22B C23 C24 C25 86(3) . . . . ?
O3 C24 C25 C26 -8(4) . . . . ?
C23 C24 C25 C26 170(2) . . . . ?
O3 C24 C25 C30 178(2) . . . . ?
C23 C24 C25 C30 -3(4) . . . . ?
Yb1 O4 C26 C25 6(3) . . . . ?
Yb1 O4 C26 C27 -178.2(15) . . . . ?
C24 C25 C26 O4 3(3) . . . . ?
C30 C25 C26 O4 178(2) . . . . ?
C24 C25 C26 C27 -174(2) . . . . ?
C30 C25 C26 C27 1(2) . . . . ?
O4 C26 C27 C31 18(3) . . . . ?
C25 C26 C27 C31 -165(2) . . . . ?
O4 C26 C27 C28 -107(3) . . . . ?
C25 C26 C27 C28 70(2) . . . . ?
O4 C26 C27 C32 147(2) . . . . ?
C25 C26 C27 C32 -36(2) . . . . ?
C26 C27 C28 C29 -74(2) . . . . ?
C31 C27 C28 C29 161(2) . . . . ?
C32 C27 C28 C29 31(2) . . . . ?
C27 C28 C29 C30 4(3) . . . . ?
C28 C29 C30 C25 65(3) . . . . ?
C28 C29 C30 C32 -39(3) . . . . ?
C24 C25 C30 C29 103(3) . . . . ?
C26 C25 C30 C29 -72(3) . . . . ?
C24 C25 C30 C32 -150(3) . . . . ?
C26 C25 C30 C32 36(2) . . . . ?
C29 C30 C32 C34 175(2) . . . . ?
C25 C30 C32 C34 64(3) . . . . ?
C29 C30 C32 C27 56(2) . . . . ?
C25 C30 C32 C27 -54.8(19) . . . . ?
C29 C30 C32 C33 -59(3) . . . . ?
C25 C30 C32 C33 -170(2) . . . . ?
C26 C27 C32 C30 57(2) . . . . ?
C31 C27 C32 C30 -179(2) . . . . ?
C28 C27 C32 C30 -52(2) . . . . ?
C26 C27 C32 C34 -64(3) . . . . ?
C31 C27 C32 C34 60(3) . . . . ?
C28 C27 C32 C34 -173(2) . . . . ?
C26 C27 C32 C33 173(2) . . . . ?
C31 C27 C32 C33 -62(3) . . . . ?
C28 C27 C32 C33 64(3) . . . . ?
F42 C41 C42 F44 55(2) . . . . ?
F43 C41 C42 F44 -67(2) . . . . ?
F41 C41 C42 F44 172.6(18) . . . . ?
F42 C41 C42 F45 -59(2) . . . . ?
F43 C41 C42 F45 178.7(16) . . . . ?
F41 C41 C42 F45 58(2) . . . . ?
F42 C41 C42 C43 178(2) . . . . ?
F43 C41 C42 C43 56(3) . . . . ?
F41 C41 C42 C43 -65(3) . . . . ?
F44 C42 C43 F47 50(2) . . . . ?
F45 C42 C43 F47 168.9(18) . . . . ?
C41 C42 C43 F47 -72(3) . . . . ?
F44 C42 C43 F46 -66(2) . . . . ?
F45 C42 C43 F46 53(2) . . . . ?
C41 C42 C43 F46 172.5(19) . . . . ?
F44 C42 C43 C44 174.4(17) . . . . ?
F45 C42 C43 C44 -67(2) . . . . ?
C41 C42 C43 C44 53(3) . . . . ?
Yb1 O5 C44 C45 -4(3) . . . . ?
Yb1 O5 C44 C43 174.5(11) . . . . ?
F47 C43 C44 O5 -175.3(17) . . . . ?
F46 C43 C44 O5 -50(2) . . . . ?
C42 C43 C44 O5 63(2) . . . . ?
F47 C43 C44 C45 3(3) . . . . ?
F46 C43 C44 C45 128(2) . . . . ?
C42 C43 C44 C45 -119(2) . . . . ?
O5 C44 C45 C46 -10(3) . . . . ?
C43 C44 C45 C46 172.2(17) . . . . ?
O5 C44 C45 C50 -180(2) . . . . ?
C43 C44 C45 C50 2(4) . . . . ?
Yb1 O6 C46 C47 -168.0(13) . . . . ?
Yb1 O6 C46 C45 10(3) . . . . ?
C44 C45 C46 O6 6(3) . . . . ?
C50 C45 C46 O6 178.6(19) . . . . ?
C44 C45 C46 C47 -175.6(17) . . . . ?
C50 C45 C46 C47 -3(2) . . . . ?
O6 C46 C47 C51 16(3) . . . . ?
C45 C46 C47 C51 -162.4(18) . . . . ?
O6 C46 C47 C52 146(2) . . . . ?
C45 C46 C47 C52 -32(2) . . . . ?
O6 C46 C47 C48 -110(2) . . . . ?
C45 C46 C47 C48 71.3(19) . . . . ?
C46 C47 C48 C49 -70(2) . . . . ?
C51 C47 C48 C49 160.4(19) . . . . ?
C52 C47 C48 C49 33(2) . . . . ?
C47 C48 C49 C50 2(2) . . . . ?
C44 C45 C50 C49 99(3) . . . . ?
C46 C45 C50 C49 -72(2) . . . . ?
C44 C45 C50 C52 -152(2) . . . . ?
C46 C45 C50 C52 37(2) . . . . ?
C48 C49 C50 C45 68(2) . . . . ?
C48 C49 C50 C52 -37(2) . . . . ?
C46 C47 C52 C54 168.7(19) . . . . ?
C51 C47 C52 C54 -60(3) . . . . ?
C48 C47 C52 C54 64(2) . . . . ?
C46 C47 C52 C53 -65(2) . . . . ?
C51 C47 C52 C53 66(2) . . . . ?
C48 C47 C52 C53 -169.5(16) . . . . ?
C46 C47 C52 C50 52.0(18) . . . . ?
C51 C47 C52 C50 -177.1(18) . . . . ?
C48 C47 C52 C50 -52.6(18) . . . . ?
C45 C50 C52 C54 -172.9(19) . . . . ?
C49 C50 C52 C54 -62(2) . . . . ?
C45 C50 C52 C53 64(2) . . . . ?
C49 C50 C52 C53 174.3(19) . . . . ?
C45 C50 C52 C47 -53.6(18) . . . . ?
C49 C50 C52 C47 57(2) . . . . ?
F61 C61 C62 F65 -10(2) . . . . ?
F62 C61 C62 F65 -132.2(17) . . . . ?
F62B C61 C62 F65 -157(4) . . . . ?
F63B C61 C62 F65 60(4) . . . . ?
F63 C61 C62 F65 110.5(18) . . . . ?
F61B C61 C62 F65 -48(4) . . . . ?
F61 C61 C62 F64 102.5(17) . . . . ?
F62 C61 C62 F64 -19.9(19) . . . . ?
F62B C61 C62 F64 -45(4) . . . . ?
F63B C61 C62 F64 173(4) . . . . ?
F63 C61 C62 F64 -137.2(15) . . . . ?
F61B C61 C62 F64 64(4) . . . . ?
F61 C61 C62 C63 -133(2) . . . . ?
F62 C61 C62 C63 104(2) . . . . ?
F62B C61 C62 C63 79(5) . . . . ?
F63B C61 C62 C63 -63(5) . . . . ?
F63 C61 C62 C63 -13(3) . . . . ?
F61B C61 C62 C63 -171(4) . . . . ?
F65 C62 C63 F66 -55(2) . . . . ?
F64 C62 C63 F66 -171.4(16) . . . . ?
C61 C62 C63 F66 65(2) . . . . ?
F65 C62 C63 F67 55(2) . . . . ?
F64 C62 C63 F67 -61(2) . . . . ?
C61 C62 C63 F67 175.4(17) . . . . ?
F65 C62 C63 C64 176.7(18) . . . . ?
F64 C62 C63 C64 60(3) . . . . ?
C61 C62 C63 C64 -63(3) . . . . ?
Yb2 O61 C64 C65 8(3) . . . . ?
Yb2 O61 C64 C63 -171.9(13) . . . . ?
C62 C63 C64 O61 5(3) . . . . ?
F66 C63 C64 O61 -122.0(19) . . . . ?
F67 C63 C64 O61 126.2(18) . . . . ?
C62 C63 C64 C65 -175(2) . . . . ?
F66 C63 C64 C65 58(3) . . . . ?
F67 C63 C64 C65 -54(3) . . . . ?
O61 C64 C65 C66 1(4) . . . . ?
C63 C64 C65 C66 -179(2) . . . . ?
O61 C64 C65 C70 -179(2) . . . . ?
C63 C64 C65 C70 1(4) . . . . ?
Yb2 O62 C66 C65 -7(3) . . . . ?
Yb2 O62 C66 C67 168.8(15) . . . . ?
C64 C65 C66 O62 -1(4) . . . . ?
C70 C65 C66 O62 179(2) . . . . ?
C64 C65 C66 C67 -177(2) . . . . ?
C70 C65 C66 C67 2(2) . . . . ?
O62 C66 C67 C68 -105(2) . . . . ?
C65 C66 C67 C68 72(2) . . . . ?
O62 C66 C67 C72 147(2) . . . . ?
C65 C66 C67 C72 -37(2) . . . . ?
O62 C66 C67 C71 18(3) . . . . ?
C65 C66 C67 C71 -165(2) . . . . ?
C66 C67 C68 C69 -73(2) . . . . ?
C72 C67 C68 C69 36(2) . . . . ?
C71 C67 C68 C69 164(2) . . . . ?
C67 C68 C69 C70 2(2) . . . . ?
C64 C65 C70 C69 108(3) . . . . ?
C66 C65 C70 C69 -72(2) . . . . ?
C64 C65 C70 C72 -148(2) . . . . ?
C66 C65 C70 C72 32(2) . . . . ?
C68 C69 C70 C65 66(2) . . . . ?
C68 C69 C70 C72 -38(2) . . . . ?
C66 C67 C72 C73 172(2) . . . . ?
C68 C67 C72 C73 62(3) . . . . ?
C71 C67 C72 C73 -63(3) . . . . ?
C66 C67 C72 C74 -63(2) . . . . ?
C68 C67 C72 C74 -173(2) . . . . ?
C71 C67 C72 C74 62(3) . . . . ?
C66 C67 C72 C70 53(2) . . . . ?
C68 C67 C72 C70 -57(2) . . . . ?
C71 C67 C72 C70 178.1(19) . . . . ?
C65 C70 C72 C73 -170(2) . . . . ?
C69 C70 C72 C73 -64(3) . . . . ?
C65 C70 C72 C74 65(2) . . . . ?
C69 C70 C72 C74 170(2) . . . . ?
C65 C70 C72 C67 -50(2) . . . . ?
C69 C70 C72 C67 56(2) . . . . ?
F81 C81 C82 F85 -162(2) . . . . ?
F82 C81 C82 F85 -41(3) . . . . ?
F83 C81 C82 F85 78(3) . . . . ?
F81 C81 C82 F84 -46(3) . . . . ?
F82 C81 C82 F84 74(3) . . . . ?
F83 C81 C82 F84 -167(2) . . . . ?
F81 C81 C82 C83 71(3) . . . . ?
F82 C81 C82 C83 -168(2) . . . . ?
F83 C81 C82 C83 -49(3) . . . . ?
F82B C81B C82B F85B -59(5) . . . . ?
F83B C81B C82B F85B 60(5) . . . . ?
F81B C81B C82B F85B -180(5) . . . . ?
F82B C81B C82B F84B 56(5) . . . . ?
F83B C81B C82B F84B 175(4) . . . . ?
F81B C81B C82B F84B -65(5) . . . . ?
F82B C81B C82B C83 168(4) . . . . ?
F83B C81B C82B C83 -72(5) . . . . ?
F81B C81B C82B C83 48(5) . . . . ?
F85B C82B C83 F86 151(4) . . . . ?
F84B C82B C83 F86 43(4) . . . . ?
C81B C82B C83 F86 -76(4) . . . . ?
F85B C82B C83 F87 -96(4) . . . . ?
F84B C82B C83 F87 156(3) . . . . ?
C81B C82B C83 F87 38(5) . . . . ?
F85B C82B C83 C84 29(5) . . . . ?
F84B C82B C83 C84 -79(4) . . . . ?
C81B C82B C83 C84 162(3) . . . . ?
F85 C82 C83 F86 -171(3) . . . . ?
F84 C82 C83 F86 72(3) . . . . ?
C81 C82 C83 F86 -44(4) . . . . ?
F85 C82 C83 F87 -56(3) . . . . ?
F84 C82 C83 F87 -173(2) . . . . ?
C81 C82 C83 F87 70(3) . . . . ?
F85 C82 C83 C84 62(4) . . . . ?
F84 C82 C83 C84 -55(3) . . . . ?
C81 C82 C83 C84 -171(2) . . . . ?
Yb2 O63 C84 C85 -7(3) . . . . ?
Yb2 O63 C84 C83 173.0(13) . . . . ?
F86 C83 C84 O63 165.3(19) . . . . ?
F87 C83 C84 O63 46(3) . . . . ?
C82B C83 C84 O63 -80(3) . . . . ?
C82 C83 C84 O63 -70(3) . . . . ?
F86 C83 C84 C85 -14(3) . . . . ?
F87 C83 C84 C85 -134(2) . . . . ?
C82B C83 C84 C85 101(4) . . . . ?
C82 C83 C84 C85 110(3) . . . . ?
O63 C84 C85 C86 -11(3) . . . . ?
C83 C84 C85 C86 168.6(19) . . . . ?
O63 C84 C85 C90 180(2) . . . . ?
C83 C84 C85 C90 -1(4) . . . . ?
C84 C85 C90 C89 97(3) . . . . ?
C86 C85 C90 C89 -73(2) . . . . ?
C84 C85 C90 C92 -155(2) . . . . ?
C86 C85 C90 C92 35(2) . . . . ?
C85 C90 C89 C88 66(2) . . . . ?
C92 C90 C89 C88 -39(2) . . . . ?
C90 C89 C88 C87 4(2) . . . . ?
C89 C88 C87 C86 -73(2) . . . . ?
C89 C88 C87 C91 162.9(18) . . . . ?
C89 C88 C87 C92 32(2) . . . . ?
Yb2 O64 C86 C85 17(3) . . . . ?
Yb2 O64 C86 C87 -166.8(14) . . . . ?
C84 C85 C86 O64 6(3) . . . . ?
C90 C85 C86 O64 178(2) . . . . ?
C84 C85 C86 C87 -171.4(19) . . . . ?
C90 C85 C86 C87 1(2) . . . . ?
C91 C87 C86 O64 19(3) . . . . ?
C88 C87 C86 O64 -109(2) . . . . ?
C92 C87 C86 O64 147(2) . . . . ?
C91 C87 C86 C85 -164.0(17) . . . . ?
C88 C87 C86 C85 68(2) . . . . ?
C92 C87 C86 C85 -36(2) . . . . ?
C86 C87 C92 C94 169(2) . . . . ?
C91 C87 C92 C94 -69(3) . . . . ?
C88 C87 C92 C94 61(3) . . . . ?
C86 C87 C92 C93 -64(2) . . . . ?
C91 C87 C92 C93 59(3) . . . . ?
C88 C87 C92 C93 -172(2) . . . . ?
C86 C87 C92 C90 55(2) . . . . ?
C91 C87 C92 C90 178(2) . . . . ?
C88 C87 C92 C90 -53(2) . . . . ?
C89 C90 C92 C94 -58(2) . . . . ?
C85 C90 C92 C94 -169.3(18) . . . . ?
C89 C90 C92 C87 58(2) . . . . ?
C85 C90 C92 C87 -53(2) . . . . ?
C89 C90 C92 C93 175(2) . . . . ?
C85 C90 C92 C93 63(2) . . . . ?
F102 C101 C102 F104 -59(2) . . . . ?
F103 C101 C102 F104 -179.8(19) . . . . ?
F101 C101 C102 F104 59(2) . . . . ?
F102 C101 C102 F105 -175.3(19) . . . . ?
F103 C101 C102 F105 64(2) . . . . ?
F101 C101 C102 F105 -57(2) . . . . ?
F102 C101 C102 C103 78(2) . . . . ?
F103 C101 C102 C103 -43(2) . . . . ?
F101 C101 C102 C103 -163.7(19) . . . . ?
F202 C201 C202 F204 -50(6) . . . . ?
F203 C201 C202 F204 -171(6) . . . . ?
F201 C201 C202 F204 69(6) . . . . ?
F202 C201 C202 F205 -171(6) . . . . ?
F203 C201 C202 F205 68(6) . . . . ?
F201 C201 C202 F205 -51(6) . . . . ?
F202 C201 C202 C103 77(5) . . . . ?
F203 C201 C202 C103 -43(5) . . . . ?
F201 C201 C202 C103 -163(5) . . . . ?
F204 C202 C103 F107 179(4) . . . . ?
F205 C202 C103 F107 -44(4) . . . . ?
C201 C202 C103 F107 65(3) . . . . ?
F204 C202 C103 F106 -65(5) . . . . ?
F205 C202 C103 F106 72(5) . . . . ?
C201 C202 C103 F106 -179(3) . . . . ?
F204 C202 C103 C104 60(5) . . . . ?
F205 C202 C103 C104 -163(4) . . . . ?
C201 C202 C103 C104 -55(4) . . . . ?
F104 C102 C103 F107 -164(3) . . . . ?
F105 C102 C103 F107 -28(3) . . . . ?
C101 C102 C103 F107 75(3) . . . . ?
F104 C102 C103 F106 -52(3) . . . . ?
F105 C102 C103 F106 84(2) . . . . ?
C101 C102 C103 F106 -172.4(17) . . . . ?
F104 C102 C103 C104 55(4) . . . . ?
F105 C102 C103 C104 -169(2) . . . . ?
C101 C102 C103 C104 -65(3) . . . . ?
Yb2 O65 C104 C105 11(4) . . . . ?
Yb2 O65 C104 C103 -173.0(17) . . . . ?
F107 C103 C104 O65 162(2) . . . . ?
F106 C103 C104 O65 43(3) . . . . ?
C202 C103 C104 O65 -88(4) . . . . ?
C102 C103 C104 O65 -54(3) . . . . ?
F107 C103 C104 C105 -22(4) . . . . ?
F106 C103 C104 C105 -141(2) . . . . ?
C202 C103 C104 C105 88(4) . . . . ?
C102 C103 C104 C105 122(3) . . . . ?
O65 C104 C105 C106 -15(4) . . . . ?
C103 C104 C105 C106 169(2) . . . . ?
O65 C104 C105 C110 177(3) . . . . ?
C103 C104 C105 C110 1(5) . . . . ?
Yb2 O66 C106 C105 5(3) . . . . ?
Yb2 O66 C106 C107 -176.1(15) . . . . ?
C104 C105 C106 O66 7(4) . . . . ?
C110 C105 C106 O66 178(2) . . . . ?
C104 C105 C106 C107 -172(2) . . . . ?
C110 C105 C106 C107 -1(3) . . . . ?
O66 C106 C107 C112 148(2) . . . . ?
C105 C106 C107 C112 -33(2) . . . . ?
O66 C106 C107 C111 17(3) . . . . ?
C105 C106 C107 C111 -164(2) . . . . ?
O66 C106 C107 C108 -106(2) . . . . ?
C105 C106 C107 C108 73(2) . . . . ?
C112 C107 C108 C109 37(2) . . . . ?
C111 C107 C108 C109 165.6(19) . . . . ?
C106 C107 C108 C109 -68(2) . . . . ?
C107 C108 C109 C110 -1(2) . . . . ?
C106 C105 C110 C112 34(3) . . . . ?
C104 C105 C110 C112 -156(3) . . . . ?
C106 C105 C110 C109 -72(2) . . . . ?
C104 C105 C110 C109 98(3) . . . . ?
C108 C109 C110 C105 71(2) . . . . ?
C108 C109 C110 C112 -34(2) . . . . ?
C111 C107 C112 C113 66(3) . . . . ?
C106 C107 C112 C113 -62(2) . . . . ?
C108 C107 C112 C113 -170.4(19) . . . . ?
C111 C107 C112 C114 -59(3) . . . . ?
C106 C107 C112 C114 172(2) . . . . ?
C108 C107 C112 C114 64(3) . . . . ?
C111 C107 C112 C110 179.6(19) . . . . ?
C106 C107 C112 C110 51(2) . . . . ?
C108 C107 C112 C110 -56.7(18) . . . . ?
C105 C110 C112 C113 64(2) . . . . ?
C109 C110 C112 C113 171.6(19) . . . . ?
C105 C110 C112 C114 -175(2) . . . . ?
C109 C110 C112 C114 -68(3) . . . . ?
C105 C110 C112 C107 -52(2) . . . . ?
C109 C110 C112 C107 55.7(19) . . . . ?
N1 C151 C152 C153 -3(3) . . . . ?
C151 C152 C153 N2 -1(3) . . . . ?
N1 C154 C155 N4 -19(3) . . . . ?
N2 C154 C155 N4 161(2) . . . . ?
N1 C154 C155 N3 162.7(17) . . . . ?
N2 C154 C155 N3 -17(3) . . . . ?
N3 C156 C157 C158 -6(4) . . . . ?
N3 C156 C157 C159 180(3) . . . . ?
C156 C157 C158 N4 3(4) . . . . ?
C159 C157 C158 N4 178(3) . . . . ?
N2 C154 N1 C151 -2(3) . . . . ?
C155 C154 N1 C151 178.8(18) . . . . ?
N2 C154 N1 Yb1 168.3(14) . . . . ?
C155 C154 N1 Yb1 -11(2) . . . . ?
C152 C151 N1 C154 4(3) . . . . ?
C152 C151 N1 Yb1 -166.9(17) . . . . ?
C152 C153 N2 C154 3(3) . . . . ?
C152 C153 N2 Yb2 -172.1(16) . . . . ?
N1 C154 N2 C153 -2(3) . . . . ?
C155 C154 N2 C153 178.0(19) . . . . ?
N1 C154 N2 Yb2 173.2(14) . . . . ?
C155 C154 N2 Yb2 -7(2) . . . . ?
N4 C155 N3 C156 5(3) . . . . ?
C154 C155 N3 C156 -176.9(19) . . . . ?
N4 C155 N3 Yb2 -145.7(16) . . . . ?
C154 C155 N3 Yb2 32(2) . . . . ?
C157 C156 N3 C155 2(3) . . . . ?
C157 C156 N3 Yb2 153.1(19) . . . . ?
N3 C155 N4 O7 172.1(17) . . . . ?
C154 C155 N4 O7 -6(3) . . . . ?
N3 C155 N4 C158 -8(3) . . . . ?
C154 C155 N4 C158 174.1(19) . . . . ?
Yb1 O7 N4 C155 68(2) . . . . ?
Yb1 O7 N4 C158 -111.9(16) . . . . ?
C157 C158 N4 C155 4(3) . . . . ?
C157 C158 N4 O7 -176(2) . . . . ?
