#------------------------------------------------------------------------------
#$Date: 2023-11-06 09:28:45 +0200 (Mon, 06 Nov 2023) $
#$Revision: 287348 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/73/7247398.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_7247398
loop_
_publ_author_name
'Chamberlain, Thomas W.'
Yasmine,
'Coulthard, Claire T.'
'Clarkson, Guy J.'
'Degirmenci, Volkan'
'Krisnandi, Yuni K.'
'Walton, Richard I.'
_publ_section_title
;
 Optimised synthesis and further structural diversity of ytterbium
 benzene-1,4-dicarboxylate MOFs
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              5629
_journal_page_last               5640
_journal_paper_doi               10.1039/D3CE00865G
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C24 H12 O21 Yb5'
_chemical_formula_sum            'C24 H12 O21 Yb5'
_chemical_formula_weight         1501.54
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-04-03
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_audit_update_record
;
2023-04-17 deposited with the CCDC.	2023-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.6081(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.82977(6)
_cell_length_b                   22.43648(14)
_cell_length_c                   13.79565(9)
_cell_measurement_reflns_used    54553
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      79.8480
_cell_measurement_theta_min      3.7440
_cell_volume                     2883.51(3)
_computing_cell_refinement       'CrysAlisPro 1.171.42.84a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.84a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.84a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -121.00 -68.00   0.50    1.00    --  -48.05-134.00  89.00  106
  2  ω    -93.00 -24.00   0.50    1.00    --  -48.05 135.00 -23.00  138
  3  ω   -121.00 -76.00   0.50    1.00    --  -48.05-135.00 -89.00   90
  4  ω    -93.00 -18.00   0.50    1.00    --  -48.05 134.00 156.00  150
  5  ω     39.00 101.00   0.50    1.00    --   48.05-134.00  89.00  124
  6  ω     40.00 101.00   0.50    1.00    --   48.05-135.00 -89.00  122
  7  ω   -160.00 -94.00   0.50    4.00    --  -91.75-135.00 -89.00  132
  8  ω   -161.00 -68.00   0.50    4.00    --  -91.75-134.00  89.00  186
  9  ω    -93.00 -36.00   0.50    4.00    --  -91.75 135.00 -23.00  114
 10  ω     42.00 118.00   0.50    4.00    --  113.25-134.00  89.00  152
 11  ω     89.00 178.00   0.50    4.00    --  113.25 134.00 156.00  178
 12  ω     89.00 178.00   0.50    4.00    --  113.25 135.00 -23.00  178
 13  ω     54.00 119.00   0.50    4.00    --  113.25-135.00 -89.00  130
 14  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00-180.00  100
 15  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00   0.00  100
 16  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00 -30.00  100
 17  ω   -121.00 -73.00   0.50    1.00    --  -48.05-125.00-180.00   96
 18  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00  90.00  100
 19  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00 -90.00  100
 20  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00 150.00  100
 21  ω    -23.00  27.00   0.50    1.00    --  -48.05  19.00-120.00  100
 22  ω    -50.00 -20.00   0.50    4.00    --  -91.75  45.00-180.00   60
 23  ω    101.00 178.00   0.50    4.00    --  113.25  45.00 -60.00  154
 24  ω     42.00  72.00   0.50    4.00    --  113.25 -61.00  30.00   60
 25  ω    100.00 178.00   0.50    4.00    --  113.25  15.00 150.00  156
 26  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00-150.00  128
 27  ω     42.00 108.00   0.50    4.00    --  113.25-111.00 -87.33  132
 28  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00 -60.00  128
 29  ω     95.00 178.00   0.50    4.00    --  113.25 125.00-150.00  166
 30  ω     42.00  72.00   0.50    4.00    --  113.25 -61.00 -30.00   60
 31  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00 -30.00  128
 32  ω     42.00 111.00   0.50    4.00    --  113.25-125.00 150.00  138
 33  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00 120.00  128
 34  ω    101.00 178.00   0.50    4.00    --  113.25  45.00  60.00  154
 35  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00 150.00  128
 36  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00  30.00  128
 37  ω    101.00 178.00   0.50    4.00    --  113.25  45.00-180.00  154
 38  ω     42.00  72.00   0.50    4.00    --  113.25 -61.00 -60.00   60
 39  ω     42.00 111.00   0.50    4.00    --  113.25-125.00 120.00  138
 40  ω    100.00 178.00   0.50    4.00    --  113.25  15.00 -90.00  156
 41  ω     95.50 178.00   0.50    4.00    --  113.25  77.00 -30.00  165
 42  ω     42.00 111.00   0.50    4.00    --  113.25-125.00 -30.00  138
 43  ω    101.00 178.00   0.50    4.00    --  113.25  45.00  90.00  154
 44  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00-180.00  128
 45  ω     42.00 111.00   0.50    4.00    --  113.25-125.00  90.00  138
 46  ω     42.00  72.00   0.50    4.00    --  113.25 -61.00 120.00   60
 47  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00-120.00  128
 48  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00   0.00  128
 49  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00 -90.00  128
 50  ω     42.00 106.00   0.50    4.00    --  113.25 -94.00  90.00  128
 51  ω     42.00 106.00   0.50    4.00    --  113.25 -98.00 -77.70  128
 52  ω     42.00  72.00   0.50    4.00    --  113.25 -61.00 -90.00   60
 53  ω   -121.00 -25.00   0.50    1.00    --  -48.05 -77.00  30.00  192
 54  ω    -64.50 -25.00   0.50    1.00    --  -48.05 -77.00 -60.00   79
 55  ω   -121.00 -25.00   0.50    1.00    --  -48.05 -77.00 120.00  192
 56  ω   -121.00 -84.00   0.50    1.00    --  -48.05 -77.00-120.00   74
 57  ω   -121.00 -46.00   0.50    1.00    --  -48.05 -77.00   0.00  150
 58  ω    -65.00 -25.00   0.50    1.00    --  -48.05 -77.00-150.00   80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0806476000
_diffrn_orient_matrix_UB_12      0.0369662000
_diffrn_orient_matrix_UB_13      0.0584426000
_diffrn_orient_matrix_UB_21      -0.0504458000
_diffrn_orient_matrix_UB_22      -0.0578737000
_diffrn_orient_matrix_UB_23      0.0380303000
_diffrn_orient_matrix_UB_31      0.1352850000
_diffrn_orient_matrix_UB_32      0.0004754000
_diffrn_orient_matrix_UB_33      0.0949406000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0637
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            66412
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.186
_diffrn_reflns_theta_min         3.913
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    29.624
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.306
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.84a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.459
_exptl_crystal_description       block
_exptl_crystal_F_000             2696
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.088
_exptl_crystal_size_min          0.016
_exptl_crystal_size_rad          0.400
_refine_diff_density_max         1.803
_refine_diff_density_min         -1.586
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       0.000035(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         6230
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0290
_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)+(0.0483P)²+16.1276P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0813
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6167
_reflns_number_total             6230
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00865g2.cif
_cod_data_source_block           twc3
_cod_depositor_comments
'Adding full bibliography for 7247398--7247400.cif.'
_cod_database_code               7247398
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C20 H20 N2 O2 Yb5'
_chemical_oxdiff_usercomment
'C20 H20 N2 O2 Yb  colourless plate 1783  0.0005 0.08 0.08n Walton'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.649
_shelx_estimated_absorpt_t_min   0.120
_olex2_refinement_description
;
No hydrogens were located on any of the bridging oxides or the carboxylate ligands.

1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C105(H105), C104(H104), C204(H204), C107(H107), C108(H108), C307(H307),
 C304(H304), C207(H207), C305(H305), C308(H308), C208(H208), C205(H205)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.775
_oxdiff_exptl_absorpt_empirical_full_min 0.621
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Yb5 Yb 0.63437(3) 0.75449(2) 0.65362(2) 0.00663(8) Uani 1 1 d . . . . .
Yb4 Yb 0.59491(3) 0.25141(2) 0.68126(2) 0.00661(8) Uani 1 1 d . . . . .
Yb3 Yb 0.79967(3) 0.25699(2) 0.46138(2) 0.00657(8) Uani 1 1 d . . . . .
Yb1 Yb 1.19868(3) 0.25047(2) 0.05349(2) 0.00639(8) Uani 1 1 d . . . . .
Yb2 Yb 0.98375(2) 0.22654(2) 0.23318(2) 0.00676(8) Uani 1 1 d . . . . .
O3 O 0.9918(3) 0.19967(14) 0.5059(2) 0.0084(6) Uani 1 1 d . . . . .
O109 O 1.5500(3) 0.65335(14) 0.1107(2) 0.0113(6) Uani 1 1 d . . . . .
O110 O 1.3106(3) 0.65918(15) 0.0612(2) 0.0121(6) Uani 1 1 d . . . . .
O201 O 0.8353(4) 0.34384(15) 0.3790(3) 0.0130(6) Uani 1 1 d . . . . .
O101 O 1.3017(3) 0.34472(15) 0.0886(3) 0.0135(6) Uani 1 1 d . . . . .
O102 O 1.5411(4) 0.34596(14) 0.1539(2) 0.0126(6) Uani 1 1 d . . . . .
O202 O 0.9963(4) 0.31293(15) 0.3085(3) 0.0144(7) Uani 1 1 d . . . . .
O302 O 0.7031(3) 0.33933(15) 0.5228(3) 0.0122(6) Uani 1 1 d . . . . .
O5C O 0.4220(3) 0.71991(14) 0.6628(2) 0.0081(6) Uani 1 1 d . . . . .
O4B O 0.4360(4) 0.25355(15) 0.5199(3) 0.0135(7) Uani 1 1 d . . . . .
O1A O 1.0047(3) 0.19761(14) 0.0781(2) 0.0083(6) Uani 1 1 d . . . . .
O309 O 0.7709(3) 0.65163(14) 0.4979(2) 0.0112(6) Uani 1 1 d . . . . .
O5B O 0.6170(3) 0.79066(14) 0.8053(2) 0.0092(6) Uani 1 1 d . . . . .
O4A O 0.8003(3) 0.28315(14) 0.8027(2) 0.0085(6) Uani 1 1 d . . . . .
O209 O 1.0032(4) 0.59616(16) 0.1030(3) 0.0186(7) Uani 1 1 d . . . . .
O4C O 0.7806(3) 0.22802(14) 0.6195(2) 0.0095(6) Uani 1 1 d . . . . .
O1B O 1.1772(3) 0.27546(14) 0.2108(2) 0.0082(6) Uani 1 1 d . . . . .
O310 O 0.6706(3) 0.65742(14) 0.6225(2) 0.0103(6) Uani 1 1 d . . . . .
O301 O 0.6048(4) 0.35106(14) 0.6462(2) 0.0116(6) Uani 1 1 d . . . . .
O5A O 0.8280(3) 0.78854(14) 0.6161(2) 0.0093(6) Uani 1 1 d . . . . .
C109 C 1.4267(5) 0.6300(2) 0.0888(3) 0.0103(8) Uani 1 1 d . . . . .
C105 C 1.5506(5) 0.5316(2) 0.1360(4) 0.0125(9) Uani 1 1 d . . . . .
H105 H 1.639158 0.552517 0.157675 0.015 Uiso 1 1 calc R U . . .
O210 O 1.0218(3) 0.62925(16) 0.2602(2) 0.0130(7) Uani 1 1 d . . . . .
C104 C 1.5499(5) 0.4697(2) 0.1435(4) 0.0119(9) Uani 1 1 d . . . . .
H104 H 1.637624 0.448552 0.170666 0.014 Uiso 1 1 calc R U . . .
C303 C 0.6720(5) 0.4378(2) 0.5749(3) 0.0094(8) Uani 1 1 d . . . . .
C102 C 1.4202(5) 0.3718(2) 0.1171(3) 0.0114(8) Uani 1 1 d . . . . .
C204 C 0.9593(5) 0.4214(2) 0.1978(3) 0.0114(9) Uani 1 1 d . . . . .
H204 H 0.964045 0.387641 0.157428 0.014 Uiso 1 1 calc R U . . .
C106 C 1.4224(5) 0.56297(19) 0.0971(3) 0.0088(8) Uani 1 1 d . . . . .
C306 C 0.7039(5) 0.5616(2) 0.5640(3) 0.0102(9) Uani 1 1 d . . . . .
C107 C 1.2924(5) 0.5322(2) 0.0660(3) 0.0094(8) Uani 1 1 d . . . . .
H107 H 1.204631 0.553572 0.040816 0.011 Uiso 1 1 calc R U . . .
C108 C 1.2910(5) 0.4702(2) 0.0717(3) 0.0102(8) Uani 1 1 d . . . . .
H108 H 1.202371 0.449322 0.048970 0.012 Uiso 1 1 calc R U . . .
C307 C 0.7068(5) 0.5255(2) 0.4829(3) 0.0124(9) Uani 1 1 d . . . . .
H307 H 0.719566 0.542977 0.423619 0.015 Uiso 1 1 calc R U . . .
C103 C 1.4196(5) 0.4387(2) 0.1107(3) 0.0108(8) Uani 1 1 d . . . . .
C304 C 0.6670(5) 0.4745(2) 0.6552(4) 0.0130(9) Uani 1 1 d . . . . .
H304 H 0.652512 0.457191 0.714010 0.016 Uiso 1 1 calc R U . . .
C302 C 0.6595(5) 0.3717(2) 0.5814(3) 0.0093(8) Uani 1 1 d . . . . .
C209 C 1.0014(5) 0.5886(2) 0.1920(4) 0.0136(9) Uani 1 1 d . . . . .
C207 C 0.9520(5) 0.5191(2) 0.3197(4) 0.0124(9) Uani 1 1 d . . . . .
H207 H 0.950445 0.552574 0.361508 0.015 Uiso 1 1 calc R U . . .
C305 C 0.6829(5) 0.5354(2) 0.6508(4) 0.0126(9) Uani 1 1 d . . . . .
H305 H 0.679585 0.559647 0.706432 0.015 Uiso 1 1 calc R U . . .
C308 C 0.6911(5) 0.4642(2) 0.4875(3) 0.0111(9) Uani 1 1 d . . . . .
H308 H 0.693278 0.439967 0.431562 0.013 Uiso 1 1 calc R U . . .
C208 C 0.9306(5) 0.4629(2) 0.3516(3) 0.0123(9) Uani 1 1 d . . . . .
H208 H 0.913334 0.457547 0.415030 0.015 Uiso 1 1 calc R U . . .
C202 C 0.9201(5) 0.3527(2) 0.3289(3) 0.0105(9) Uani 1 1 d . . . . .
C205 C 0.9768(5) 0.4779(2) 0.1647(3) 0.0118(9) Uani 1 1 d . . . . .
H205 H 0.989463 0.483285 0.099779 0.014 Uiso 1 1 calc R U . . .
C206 C 0.9760(5) 0.5274(2) 0.2260(4) 0.0119(9) Uani 1 1 d . . . . .
C203 C 0.9343(5) 0.4141(2) 0.2915(4) 0.0116(9) Uani 1 1 d . . . . .
C309 C 0.7177(4) 0.6284(2) 0.5606(3) 0.0107(9) 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 15 -1 0.0140
-5 0 -3 0.0450
6 0 1 0.0374
-4 0 8 0.0469
0 -15 1 0.0019
2 0 -9 0.0584
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
Yb4 Yb5 Yb3 57.709(6) 2_656 3_666 ?
Yb4 Yb5 Yb1 59.316(7) 2_656 3_766 ?
Yb4 Yb5 Yb1 168.953(10) 2_656 2_755 ?
Yb1 Yb5 Yb3 116.853(8) 3_766 3_666 ?
Yb1 Yb5 Yb3 111.372(8) 2_755 3_666 ?
Yb1 Yb5 Yb1 131.350(10) 2_755 3_766 ?
Yb2 Yb5 Yb4 119.547(9) 3_766 2_656 ?
Yb2 Yb5 Yb3 175.888(9) 3_766 3_666 ?
Yb2 Yb5 Yb1 71.452(7) 3_766 2_755 ?
Yb2 Yb5 Yb1 60.770(7) 3_766 3_766 ?
O109 Yb5 Yb4 86.14(9) 4_476 2_656 ?
O109 Yb5 Yb3 72.56(8) 4_476 3_666 ?
O109 Yb5 Yb1 107.64(8) 4_476 3_766 ?
O109 Yb5 Yb1 92.06(8) 4_476 2_755 ?
O109 Yb5 Yb2 104.64(8) 4_476 3_766 ?
O109 Yb5 O5C 93.48(12) 4_476 . ?
O109 Yb5 O4B 80.33(12) 4_476 3_666 ?
O109 Yb5 O5B 77.64(11) 4_476 . ?
O109 Yb5 O1B 128.84(11) 4_476 3_766 ?
O109 Yb5 O310 154.75(11) 4_476 . ?
O109 Yb5 O5A 83.97(12) 4_476 . ?
O5C Yb5 Yb4 37.14(8) . 2_656 ?
O5C Yb5 Yb3 29.36(8) . 3_666 ?
O5C Yb5 Yb1 91.33(8) . 3_766 ?
O5C Yb5 Yb1 132.35(8) . 2_755 ?
O5C Yb5 Yb2 150.09(8) . 3_766 ?
O5C Yb5 O4B 93.18(13) . 3_666 ?
O5C Yb5 O5B 74.52(11) . . ?
O5C Yb5 O1B 112.07(11) . 3_766 ?
O5C Yb5 O310 83.40(11) . . ?
O4B Yb5 Yb4 127.49(10) 3_666 2_656 ?
O4B Yb5 Yb3 69.84(10) 3_666 3_666 ?
O4B Yb5 Yb1 170.60(9) 3_666 3_766 ?
O4B Yb5 Yb1 41.54(10) 3_666 2_755 ?
O4B Yb5 Yb2 112.96(10) 3_666 3_766 ?
O4B Yb5 O5B 153.92(12) 3_666 . ?
O5B Yb5 Yb4 37.44(8) . 2_656 ?
O5B Yb5 Yb3 90.22(8) . 3_666 ?
O5B Yb5 Yb1 152.30(8) . 2_755 ?
O5B Yb5 Yb1 35.48(8) . 3_766 ?
O5B Yb5 Yb2 86.20(8) . 3_766 ?
O1B Yb5 Yb4 89.09(8) 3_766 2_656 ?
O1B Yb5 Yb3 141.42(8) 3_766 3_666 ?
O1B Yb5 Yb1 33.37(8) 3_766 3_766 ?
O1B Yb5 Yb1 100.45(8) 3_766 2_755 ?
O1B Yb5 Yb2 38.32(8) 3_766 3_766 ?
O1B Yb5 O4B 137.38(12) 3_766 3_666 ?
O1B Yb5 O5B 68.50(11) 3_766 . ?
O310 Yb5 Yb4 105.24(8) . 2_656 ?
O310 Yb5 Yb3 94.24(8) . 3_666 ?
O310 Yb5 Yb1 72.40(8) . 2_755 ?
O310 Yb5 Yb1 97.50(8) . 3_766 ?
O310 Yb5 Yb2 89.47(8) . 3_766 ?
O310 Yb5 O4B 74.86(12) . 3_666 ?
O310 Yb5 O5B 124.88(11) . . ?
O310 Yb5 O1B 74.70(11) . 3_766 ?
O5A Yb5 Yb4 151.06(8) . 2_656 ?
O5A Yb5 Yb3 142.14(8) . 3_666 ?
O5A Yb5 Yb1 38.95(8) . 2_755 ?
O5A Yb5 Yb1 98.18(8) . 3_766 ?
O5A Yb5 Yb2 38.88(8) . 3_766 ?
O5A Yb5 O5C 170.48(11) . . ?
O5A Yb5 O4B 77.37(12) . 3_666 ?
O5A Yb5 O5B 113.68(11) . . ?
O5A Yb5 O1B 76.34(11) . 3_766 ?
O5A Yb5 O310 94.99(12) . . ?
Yb5 Yb4 Yb3 66.197(7) 2_646 4_566 ?
Yb5 Yb4 Yb1 62.563(7) 2_646 4_466 ?
Yb5 Yb4 Yb2 132.695(10) 2_646 4_566 ?
Yb1 Yb4 Yb3 128.541(9) 4_466 4_566 ?
Yb2 Yb4 Yb3 67.949(7) 4_566 4_566 ?
Yb2 Yb4 Yb1 162.627(9) 4_566 4_466 ?
O102 Yb4 Yb5 87.95(9) 4_466 2_646 ?
O102 Yb4 Yb3 98.28(8) 4_466 4_566 ?
O102 Yb4 Yb1 75.85(8) 4_466 4_466 ?
O102 Yb4 Yb2 109.64(9) 4_466 4_566 ?
O102 Yb4 O5C 77.12(12) 4_466 2_646 ?
O102 Yb4 O4B 78.78(12) 4_466 . ?
O102 Yb4 O5B 102.27(12) 4_466 2_646 ?
O102 Yb4 O4A 122.01(11) 4_466 . ?
O102 Yb4 O4C 83.62(12) 4_466 . ?
O102 Yb4 O301 158.94(12) 4_466 . ?
O102 Yb4 C302 144.95(12) 4_466 . ?
O5C Yb4 Yb5 36.18(7) 2_646 2_646 ?
O5C Yb4 Yb3 37.12(8) 2_646 4_566 ?
O5C Yb4 Yb1 93.55(8) 2_646 4_466 ?
O5C Yb4 Yb2 103.70(8) 2_646 4_566 ?
O5C Yb4 O5B 73.16(11) 2_646 2_646 ?
O5C Yb4 C302 137.93(11) 2_646 . ?
O4B Yb4 Yb5 103.90(10) . 2_646 ?
O4B Yb4 Yb3 169.90(10) . 4_566 ?
O4B Yb4 Yb1 41.42(10) . 4_466 ?
O4B Yb4 Yb2 122.15(10) . 4_566 ?
O4B Yb4 O5C 133.13(12) . 2_646 ?
O4B Yb4 O5B 73.55(13) . 2_646 ?
O4B Yb4 O4A 151.63(12) . . ?
O4B Yb4 O4C 91.17(13) . . ?
O4B Yb4 O301 80.52(12) . . ?
O4B Yb4 C302 74.23(12) . . ?
O5B Yb4 Yb5 37.04(7) 2_646 2_646 ?
O5B Yb4 Yb3 97.87(8) 2_646 4_566 ?
O5B Yb4 Yb1 38.17(8) 2_646 4_466 ?
O5B Yb4 Yb2 146.44(8) 2_646 4_566 ?
O5B Yb4 C302 91.19(11) 2_646 . ?
O4A Yb4 Yb5 96.47(8) . 2_646 ?
O4A Yb4 Yb3 37.12(8) . 4_566 ?
O4A Yb4 Yb1 153.48(8) . 4_466 ?
O4A Yb4 Yb2 36.74(8) . 4_566 ?
O4A Yb4 O5C 73.93(11) . 2_646 ?
O4A Yb4 O5B 115.34(11) . 2_646 ?
O4A Yb4 O4C 73.97(11) . . ?
O4A Yb4 O301 76.37(11) . . ?
O4A Yb4 C302 78.57(11) . . ?
O4C Yb4 Yb5 160.97(8) . 2_646 ?
O4C Yb4 Yb3 98.14(8) . 4_566 ?
O4C Yb4 Yb1 130.76(8) . 4_466 ?
O4C Yb4 Yb2 37.81(8) . 4_566 ?
O4C Yb4 O5C 124.90(11) . 2_646 ?
O4C Yb4 O5B 161.94(11) . 2_646 ?
O4C Yb4 C302 75.09(11) . . ?
O301 Yb4 Yb5 100.81(9) . 2_646 ?
O301 Yb4 Yb3 102.78(8) . 4_566 ?
O301 Yb4 Yb1 91.12(8) . 4_466 ?
O301 Yb4 Yb2 78.44(8) . 4_566 ?
O301 Yb4 O5C 120.81(11) . 2_646 ?
O301 Yb4 O5B 75.34(12) . 2_646 ?
O301 Yb4 O4C 92.98(12) . . ?
O301 Yb4 C302 19.27(12) . . ?
C302 Yb4 Yb5 119.85(8) . 2_646 ?
C302 Yb4 Yb3 111.90(8) . 4_566 ?
C302 Yb4 Yb1 97.32(8) . 4_466 ?
C302 Yb4 Yb2 68.49(8) . 4_566 ?
Yb4 Yb3 Yb5 56.094(6) 4_565 3_666 ?
Yb1 Yb3 Yb5 173.144(9) 4_566 3_666 ?
Yb1 Yb3 Yb4 120.693(8) 4_566 4_565 ?
Yb2 Yb3 Yb5 121.760(8) 4_566 3_666 ?
Yb2 Yb3 Yb4 176.291(9) 4_566 4_565 ?
Yb2 Yb3 Yb1 61.804(7) 4_566 4_566 ?
O3 Yb3 Yb5 140.57(8) . 3_666 ?
O3 Yb3 Yb4 112.86(8) . 4_565 ?
O3 Yb3 Yb1 33.13(8) . 4_566 ?
O3 Yb3 Yb2 70.76(8) . 4_566 ?
O3 Yb3 O110 79.37(11) . 2_745 ?
O3 Yb3 O201 111.97(12) . . ?
O3 Yb3 O302 139.95(11) . . ?
O3 Yb3 O5C 147.25(11) . 3_666 ?
O3 Yb3 O1A 66.07(11) . 4_566 ?
O3 Yb3 O4A 77.35(11) . 4_565 ?
O3 Yb3 O4C 83.93(11) . . ?
O110 Yb3 Yb5 61.37(8) 2_745 3_666 ?
O110 Yb3 Yb4 75.58(8) 2_745 4_565 ?
O110 Yb3 Yb1 112.50(8) 2_745 4_566 ?
O110 Yb3 Yb2 106.29(8) 2_745 4_566 ?
O201 Yb3 Yb5 99.48(8) . 3_666 ?
O201 Yb3 Yb4 69.82(8) . 4_565 ?
O201 Yb3 Yb1 84.18(8) . 4_566 ?
O201 Yb3 Yb2 108.38(8) . 4_566 ?
O201 Yb3 O110 145.33(11) . 2_745 ?
O201 Yb3 O302 70.20(12) . . ?
O201 Yb3 O5C 73.19(11) . 3_666 ?
O201 Yb3 O1A 75.27(11) . 4_566 ?
O201 Yb3 O4A 79.77(11) . 4_565 ?
O201 Yb3 O4C 138.92(11) . . ?
O302 Yb3 Yb5 72.30(8) . 3_666 ?
O302 Yb3 Yb4 105.35(8) . 4_565 ?
O302 Yb3 Yb1 114.49(8) . 4_566 ?
O302 Yb3 Yb2 70.94(8) . 4_566 ?
O302 Yb3 O110 122.79(11) . 2_745 ?
O302 Yb3 O5C 72.78(11) . 3_666 ?
O302 Yb3 O1A 76.79(11) . 4_566 ?
O302 Yb3 O4A 138.68(11) . 4_565 ?
O5C Yb3 Yb5 28.12(7) 3_666 3_666 ?
O5C Yb3 Yb4 36.40(8) 3_666 4_565 ?
O5C Yb3 Yb1 152.41(8) 3_666 4_566 ?
O5C Yb3 Yb2 140.27(8) 3_666 4_566 ?
O5C Yb3 O110 80.45(11) 3_666 2_745 ?
O5C Yb3 O1A 141.87(11) 3_666 4_566 ?
O5C Yb3 O4A 71.75(11) 3_666 4_565 ?
O1A Yb3 Yb5 148.49(8) 4_566 3_666 ?
O1A Yb3 Yb4 141.47(8) 4_566 4_565 ?
O1A Yb3 Yb1 38.05(7) 4_566 4_566 ?
O1A Yb3 Yb2 38.55(7) 4_566 4_566 ?
O1A Yb3 O110 136.45(11) 4_566 2_745 ?
O4A Yb3 Yb5 85.83(7) 4_565 3_666 ?
O4A Yb3 Yb4 35.64(7) 4_565 4_565 ?
O4A Yb3 Yb1 89.14(7) 4_565 4_566 ?
O4A Yb3 Yb2 147.88(7) 4_565 4_566 ?
O4A Yb3 O110 70.72(11) 4_565 2_745 ?
O4A Yb3 O1A 122.60(11) 4_565 4_566 ?
O4C Yb3 Yb5 87.70(8) . 3_666 ?
O4C Yb3 Yb4 140.39(8) . 4_565 ?
O4C Yb3 Yb1 93.35(8) . 4_566 ?
O4C Yb3 Yb2 39.30(8) . 4_566 ?
O4C Yb3 O110 72.71(11) . 2_745 ?
O4C Yb3 O302 73.81(11) . . ?
O4C Yb3 O5C 114.06(11) . 3_666 ?
O4C Yb3 O1A 77.85(11) . 4_566 ?
O4C Yb3 O4A 141.29(11) . 4_565 ?
Yb5 Yb1 Yb4 73.336(8) 2_745 4_665 ?
Yb5 Yb1 Yb2 169.745(9) 2_745 . ?
Yb4 Yb1 Yb2 114.032(8) 4_665 . ?
Yb3 Yb1 Yb5 114.443(9) 4_565 2_745 ?
Yb3 Yb1 Yb4 171.632(10) 4_565 4_665 ?
Yb3 Yb1 Yb2 57.848(6) 4_565 . ?
O3 Yb1 Yb5 110.26(8) 4_565 2_745 ?
O3 Yb1 Yb4 149.60(8) 4_565 4_665 ?
O3 Yb1 Yb3 32.71(8) 4_565 4_565 ?
O3 Yb1 Yb2 67.36(8) 4_565 . ?
O3 Yb1 O101 84.31(11) 4_565 . ?
O3 Yb1 O4B 140.80(11) 4_565 4_665 ?
O3 Yb1 O1A 65.88(11) 4_565 . ?
O3 Yb1 O309 124.79(11) 4_565 2_745 ?
O3 Yb1 O5B 145.05(11) 4_565 3_766 ?
O3 Yb1 O1B 78.87(11) 4_565 . ?
O3 Yb1 O5A 74.43(11) 4_565 2_745 ?
O101 Yb1 Yb5 82.45(8) . 2_745 ?
O101 Yb1 Yb4 65.95(8) . 4_665 ?
O101 Yb1 Yb3 116.94(8) . 4_565 ?
O101 Yb1 Yb2 106.87(8) . . ?
O101 Yb1 O4B 72.79(11) . 4_665 ?
O101 Yb1 O1A 138.09(11) . . ?
O101 Yb1 O309 145.29(11) . 2_745 ?
O101 Yb1 O5B 90.85(11) . 3_766 ?
O101 Yb1 O5A 77.68(11) . 2_745 ?
O4B Yb1 Yb5 36.80(8) 4_665 2_745 ?
O4B Yb1 Yb4 36.68(8) 4_665 4_665 ?
O4B Yb1 Yb3 150.69(8) 4_665 4_565 ?
O4B Yb1 Yb2 149.39(8) 4_665 . ?
O1A Yb1 Yb5 134.19(8) . 2_745 ?
O1A Yb1 Yb4 134.13(7) . 4_665 ?
O1A Yb1 Yb3 38.25(7) . 4_565 ?
O1A Yb1 Yb2 35.56(7) . . ?
O1A Yb1 O4B 147.78(11) . 4_665 ?
O1A Yb1 O309 76.03(11) . 2_745 ?
O1A Yb1 O5B 97.25(11) . 3_766 ?
O1A Yb1 O5A 118.19(10) . 2_745 ?
O309 Yb1 Yb5 70.44(8) 2_745 2_745 ?
O309 Yb1 Yb4 85.32(8) 2_745 4_665 ?
O309 Yb1 Yb3 94.33(8) 2_745 4_565 ?
O309 Yb1 Yb2 102.32(8) 2_745 . ?
O309 Yb1 O4B 72.52(11) 2_745 4_665 ?
O309 Yb1 O5B 75.35(11) 2_745 3_766 ?
O309 Yb1 O5A 91.49(11) 2_745 2_745 ?
O5B Yb1 Yb5 103.32(8) 3_766 2_745 ?
O5B Yb1 Yb4 37.04(8) 3_766 4_665 ?
O5B Yb1 Yb3 134.88(8) 3_766 4_565 ?
O5B Yb1 Yb2 81.20(8) 3_766 . ?
O5B Yb1 O4B 68.25(11) 3_766 4_665 ?
O5B Yb1 O5A 138.17(11) 3_766 2_745 ?
O1B Yb1 Yb5 155.22(8) . 2_745 ?
O1B Yb1 Yb4 87.33(8) . 4_665 ?
O1B Yb1 Yb3 85.97(8) . 4_565 ?
O1B Yb1 Yb2 35.03(8) . . ?
O1B Yb1 O101 75.45(11) . . ?
O1B Yb1 O4B 123.19(11) . 4_665 ?
O1B Yb1 O1A 70.56(11) . . ?
O1B Yb1 O309 124.30(11) . 2_745 ?
O1B Yb1 O5B 66.45(11) . 3_766 ?
O1B Yb1 O5A 143.60(11) . 2_745 ?
O5A Yb1 Yb5 35.85(7) 2_745 2_745 ?
O5A Yb1 Yb4 103.60(7) 2_745 4_665 ?
O5A Yb1 Yb3 84.76(7) 2_745 4_565 ?
O5A Yb1 Yb2 140.63(7) 2_745 . ?
O5A Yb1 O4B 69.92(11) 2_745 4_665 ?
Yb5 Yb2 Yb4 160.048(9) 3_766 4_565 ?
Yb5 Yb2 Yb3 122.934(8) 3_766 4_565 ?
Yb5 Yb2 Yb3 107.305(7) 3_766 . ?
Yb5 Yb2 Yb1 62.835(7) 3_766 . ?
Yb4 Yb2 Yb3 56.697(6) 4_565 . ?
Yb4 Yb2 Yb1 128.005(9) 4_565 . ?
Yb3 Yb2 Yb4 68.984(7) 4_565 4_565 ?
Yb3 Yb2 Yb3 124.910(8) 4_565 . ?
Yb3 Yb2 Yb1 60.349(7) 4_565 . ?
Yb1 Yb2 Yb3 160.767(8) . . ?
O202 Yb2 Yb5 78.23(9) . 3_766 ?
O202 Yb2 Yb4 82.59(9) . 4_565 ?
O202 Yb2 Yb3 57.73(9) . . ?
O202 Yb2 Yb3 109.59(9) . 4_565 ?
O202 Yb2 Yb1 103.17(9) . . ?
O202 Yb2 O1A 133.06(12) . . ?
O202 Yb2 O4A 79.55(12) . 4_565 ?
O202 Yb2 O4C 80.73(12) . 4_565 ?
O202 Yb2 O1B 73.56(12) . . ?
O202 Yb2 O5A 78.22(12) . 3_766 ?
O202 Yb2 O210 149.83(13) . 2_745 ?
O1A Yb2 Yb5 92.66(7) . 3_766 ?
O1A Yb2 Yb4 104.54(7) . 4_565 ?
O1A Yb2 Yb3 39.84(7) . 4_565 ?
O1A Yb2 Yb3 159.65(8) . . ?
O1A Yb2 Yb1 36.53(8) . . ?
O1A Yb2 O4A 132.22(11) . 4_565 ?
O1A Yb2 O4C 79.09(11) . 4_565 ?
O1A Yb2 O5A 120.48(11) . 3_766 ?
O4A Yb2 Yb5 132.50(8) 4_565 3_766 ?
O4A Yb2 Yb4 36.38(8) 4_565 4_565 ?
O4A Yb2 Yb3 103.97(8) 4_565 4_565 ?
O4A Yb2 Yb3 27.62(8) 4_565 . ?
O4A Yb2 Yb1 164.21(8) 4_565 . ?
O4A Yb2 O4C 72.97(11) 4_565 4_565 ?
O4A Yb2 O5A 96.84(11) 4_565 3_766 ?
O4C Yb2 Yb5 141.88(8) 4_565 3_766 ?
O4C Yb2 Yb4 37.16(8) 4_565 4_565 ?
O4C Yb2 Yb3 39.24(8) 4_565 4_565 ?
O4C Yb2 Yb3 87.23(8) 4_565 . ?
O4C Yb2 Yb1 91.98(8) 4_565 . ?
O1B Yb2 Yb5 37.80(7) . 3_766 ?
O1B Yb2 Yb4 139.42(8) . 4_565 ?
O1B Yb2 Yb3 88.49(7) . 4_565 ?
O1B Yb2 Yb3 126.97(8) . . ?
O1B Yb2 Yb1 35.29(8) . . ?
O1B Yb2 O1A 71.79(11) . . ?
O1B Yb2 O4A 152.89(11) . 4_565 ?
O1B Yb2 O4C 105.49(10) . 4_565 ?
O1B Yb2 O5A 74.53(11) . 3_766 ?
O5A Yb2 Yb5 37.58(8) 3_766 3_766 ?
O5A Yb2 Yb4 132.26(8) 3_766 4_565 ?
O5A Yb2 Yb3 76.19(8) 3_766 . ?
O5A Yb2 Yb3 158.74(8) 3_766 4_565 ?
O5A Yb2 Yb1 98.95(8) 3_766 . ?
O5A Yb2 O4C 158.00(11) 3_766 4_565 ?
O210 Yb2 Yb5 97.83(9) 2_745 3_766 ?
O210 Yb2 Yb4 95.97(9) 2_745 4_565 ?
O210 Yb2 Yb3 97.72(8) 2_745 4_565 ?
O210 Yb2 Yb3 96.30(9) 2_745 . ?
O210 Yb2 Yb1 101.32(9) 2_745 . ?
O210 Yb2 O1A 76.62(12) 2_745 . ?
O210 Yb2 O4A 81.68(12) 2_745 4_565 ?
O210 Yb2 O4C 115.81(11) 2_745 4_565 ?
O210 Yb2 O1B 120.97(12) 2_745 . ?
O210 Yb2 O5A 80.82(11) 2_745 3_766 ?
Yb3 O3 Yb1 114.17(14) . 4_566 ?
C109 O109 Yb5 133.8(3) . 4_675 ?
C109 O110 Yb3 146.2(3) . 2_755 ?
C202 O201 Yb3 128.9(3) . . ?
C102 O101 Yb1 143.2(3) . . ?
C102 O102 Yb4 130.4(3) . 4_665 ?
C202 O202 Yb2 142.4(3) . . ?
C302 O302 Yb3 160.5(3) . . ?
Yb5 O5C Yb4 106.67(12) . 2_656 ?
Yb5 O5C Yb3 122.51(13) . 3_666 ?
Yb4 O5C Yb3 106.48(12) 2_656 3_666 ?
Yb5 O4B Yb1 101.66(13) 3_666 4_466 ?
Yb4 O4B Yb5 155.52(19) . 3_666 ?
Yb4 O4B Yb1 101.89(14) . 4_466 ?
Yb1 O1A Yb3 103.70(12) . 4_565 ?
Yb2 O1A Yb3 101.60(12) . 4_565 ?
Yb2 O1A Yb1 107.90(12) . . ?
C309 O309 Yb1 135.4(3) . 2_755 ?
Yb5 O5B Yb4 105.52(12) . 2_656 ?
Yb5 O5B Yb1 110.42(13) . 3_766 ?
Yb4 O5B Yb1 104.79(12) 2_656 3_766 ?
Yb4 O4A Yb3 107.24(12) . 4_566 ?
Yb4 O4A Yb2 106.89(13) . 4_566 ?
Yb2 O4A Yb3 125.55(13) 4_566 4_566 ?
Yb4 O4C Yb3 126.09(14) . . ?
Yb4 O4C Yb2 105.03(12) . 4_566 ?
Yb3 O4C Yb2 101.45(12) . 4_566 ?
Yb5 O1B Yb1 113.94(13) 3_766 . ?
Yb5 O1B Yb2 103.88(12) 3_766 . ?
Yb2 O1B Yb1 109.68(12) . . ?
C309 O310 Yb5 136.9(3) . . ?
C302 O301 Yb4 124.1(3) . . ?
Yb5 O5A Yb1 105.21(12) . 2_755 ?
Yb5 O5A Yb2 103.54(12) . 3_766 ?
Yb2 O5A Yb1 128.44(14) 3_766 2_755 ?
O109 C109 C106 116.3(4) . . ?
O110 C109 O109 124.1(4) . . ?
O110 C109 C106 119.6(4) . . ?
C104 C105 H105 119.7 . . ?
C104 C105 C106 120.5(4) . . ?
C106 C105 H105 119.7 . . ?
C209 O210 Yb2 137.9(3) . 2_755 ?
C105 C104 H104 120.1 . . ?
C105 C104 C103 119.8(4) . . ?
C103 C104 H104 120.1 . . ?
C304 C303 C302 120.9(4) . . ?
C304 C303 C308 118.7(4) . . ?
C308 C303 C302 120.3(4) . . ?
O101 C102 O102 123.8(4) . . ?
O101 C102 C103 118.5(4) . . ?
O102 C102 C103 117.6(4) . . ?
C205 C204 H204 120.3 . . ?
C205 C204 C203 119.5(4) . . ?
C203 C204 H204 120.3 . . ?
C105 C106 C109 119.3(4) . . ?
C105 C106 C107 119.7(4) . . ?
C107 C106 C109 121.0(4) . . ?
C307 C306 C305 119.2(4) . . ?
C307 C306 C309 121.9(4) . . ?
C305 C306 C309 118.8(4) . . ?
C106 C107 H107 120.0 . . ?
C106 C107 C108 120.1(4) . . ?
C108 C107 H107 120.0 . . ?
C107 C108 H108 119.9 . . ?
C107 C108 C103 120.2(4) . . ?
C103 C108 H108 119.9 . . ?
C306 C307 H307 119.7 . . ?
C308 C307 C306 120.6(4) . . ?
C308 C307 H307 119.7 . . ?
C104 C103 C102 119.4(4) . . ?
C108 C103 C104 119.6(4) . . ?
C108 C103 C102 120.9(4) . . ?
C303 C304 H304 119.4 . . ?
C305 C304 C303 121.1(5) . . ?
C305 C304 H304 119.4 . . ?
O302 C302 Yb4 86.8(3) . . ?
O302 C302 O301 123.3(4) . . ?
O302 C302 C303 118.9(4) . . ?
O301 C302 Yb4 36.7(2) . . ?
O301 C302 C303 117.8(4) . . ?
C303 C302 Yb4 154.0(3) . . ?
O209 C209 O210 125.4(4) . . ?
O209 C209 C206 119.4(4) . . ?
O210 C209 C206 115.2(4) . . ?
C208 C207 H207 119.8 . . ?
C208 C207 C206 120.4(4) . . ?
C206 C207 H207 119.8 . . ?
C306 C305 H305 120.0 . . ?
C304 C305 C306 120.1(4) . . ?
C304 C305 H305 120.0 . . ?
C303 C308 H308 119.9 . . ?
C307 C308 C303 120.2(4) . . ?
C307 C308 H308 119.9 . . ?
C207 C208 H208 120.0 . . ?
C207 C208 C203 119.9(4) . . ?
C203 C208 H208 120.0 . . ?
O201 C202 C203 119.2(4) . . ?
O202 C202 O201 124.0(5) . . ?
O202 C202 C203 116.8(4) . . ?
C204 C205 H205 119.8 . . ?
C204 C205 C206 120.3(4) . . ?
C206 C205 H205 119.8 . . ?
C207 C206 C209 120.3(4) . . ?
C205 C206 C209 120.3(4) . . ?
C205 C206 C207 119.3(4) . . ?
C204 C203 C202 119.4(4) . . ?
C208 C203 C204 120.5(4) . . ?
C208 C203 C202 120.0(4) . . ?
O309 C309 O310 124.7(4) . . ?
O309 C309 C306 119.7(4) . . ?
O310 C309 C306 115.6(4) . . ?
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
Yb5 Yb4 3.6809(3) 2_656 ?
Yb5 Yb3 4.0579(4) 3_666 ?
Yb5 Yb1 3.7225(4) 2_755 ?
Yb5 Yb1 3.8472(4) 3_766 ?
Yb5 Yb2 3.6014(3) 3_766 ?
Yb5 O109 2.236(3) 4_476 ?
Yb5 O5C 2.268(3) . ?
Yb5 O4B 2.277(4) 3_666 ?
Yb5 O5B 2.301(3) . ?
Yb5 O1B 2.274(3) 3_766 ?
Yb5 O310 2.269(3) . ?
Yb5 O5A 2.259(3) . ?
Yb4 Yb3 3.7492(3) 4_566 ?
Yb4 Yb1 3.7279(3) 4_466 ?
Yb4 Yb2 3.6905(3) 4_566 ?
Yb4 O102 2.251(3) 4_466 ?
Yb4 O5C 2.320(3) 2_646 ?
Yb4 O4B 2.276(3) . ?
Yb4 O5B 2.322(3) 2_646 ?
Yb4 O4A 2.288(3) . ?
Yb4 O4C 2.308(3) . ?
Yb4 O301 2.296(3) . ?
Yb4 C302 3.186(5) . ?
Yb3 Yb1 3.7209(3) 4_566 ?
Yb3 Yb2 3.6250(3) 4_566 ?
Yb3 O3 2.204(3) . ?
Yb3 O110 2.423(3) 2_745 ?
Yb3 O201 2.338(3) . ?
Yb3 O302 2.355(3) . ?
Yb3 O5C 2.360(3) 3_666 ?
Yb3 O1A 2.371(3) 4_566 ?
Yb3 O4A 2.369(3) 4_565 ?
Yb3 O4C 2.340(3) . ?
Yb1 Yb2 3.7736(3) . ?
Yb1 O3 2.229(3) 4_565 ?
Yb1 O101 2.328(3) . ?
Yb1 O4B 2.521(4) 4_665 ?
Yb1 O1A 2.361(3) . ?
Yb1 O309 2.376(3) 2_745 ?
Yb1 O5B 2.383(3) 3_766 ?
Yb1 O1B 2.315(3) . ?
Yb1 O5A 2.425(3) 2_745 ?
Yb2 O202 2.184(3) . ?
Yb2 O1A 2.306(3) . ?
Yb2 O4A 2.307(3) 4_565 ?
Yb2 O4C 2.343(3) 4_565 ?
Yb2 O1B 2.300(3) . ?
Yb2 O5A 2.325(3) 3_766 ?
Yb2 O210 2.186(4) 2_745 ?
O109 C109 1.265(6) . ?
O110 C109 1.265(6) . ?
O201 C202 1.257(6) . ?
O101 C102 1.260(6) . ?
O102 C102 1.274(6) . ?
O202 C202 1.253(6) . ?
O302 C302 1.259(6) . ?
O309 C309 1.257(6) . ?
O209 C209 1.245(6) . ?
O310 C309 1.274(6) . ?
O301 C302 1.269(6) . ?
C109 C106 1.510(6) . ?
C105 H105 0.9500 . ?
C105 C104 1.392(7) . ?
C105 C106 1.393(6) . ?
O210 C209 1.280(6) . ?
C104 H104 0.9500 . ?
C104 C103 1.400(6) . ?
C303 C304 1.393(6) . ?
C303 C302 1.493(6) . ?
C303 C308 1.408(6) . ?
C102 C103 1.502(6) . ?
C204 H204 0.9500 . ?
C204 C205 1.378(7) . ?
C204 C203 1.399(7) . ?
C106 C107 1.394(6) . ?
C306 C307 1.389(7) . ?
C306 C305 1.407(7) . ?
C306 C309 1.507(6) . ?
C107 H107 0.9500 . ?
C107 C108 1.394(7) . ?
C108 H108 0.9500 . ?
C108 C103 1.398(6) . ?
C307 H307 0.9500 . ?
C307 C308 1.388(7) . ?
C304 H304 0.9500 . ?
C304 C305 1.379(7) . ?
C209 C206 1.498(6) . ?
C207 H207 0.9500 . ?
C207 C208 1.375(7) . ?
C207 C206 1.399(7) . ?
C305 H305 0.9500 . ?
C308 H308 0.9500 . ?
C208 H208 0.9500 . ?
C208 C203 1.381(7) . ?
C202 C203 1.492(6) . ?
C205 H205 0.9500 . ?
C205 C206 1.397(7) . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.3731 14.5251 -0.5094 0.4771 -0.8788 0.0090
-5.2176 -0.0163 -2.5492 0.2712 0.1672 -0.9479
5.7030 -0.0262 1.2516 -0.3878 -0.2386 0.8903
-4.0515 0.2840 8.3695 0.8264 0.5062 0.2466
-0.3731 -14.5251 0.5094 -0.4771 0.8788 -0.0090
1.7506 0.3419 -8.9449 -0.6513 -0.4483 -0.6123
