# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b
_database_code_depnum_ccdc_archive 'CCDC 2417528'
loop_
_audit_author_name
_audit_author_address
'Dongxu Xue'
;,
China
;
_audit_update_record             
;
2025-01-16 deposited with the CCDC.	2025-05-29 downloaded from the CCDC.
;
_audit_creation_date             2024-11-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H12 F4 N12 O15 Yb3'
_chemical_formula_sum            'C30 H12 F4 N12 O15 Yb3'
_chemical_formula_weight         1375.64
_chemical_melting_point          ?
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'

_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.
;
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   27.0155(3)
_cell_length_b                   27.0155(3)
_cell_length_c                   27.0155(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     19716.9(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3403
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      58.880
_cell_measurement_theta_min      3.272
_shelx_estimated_absorpt_T_max   0.476
_shelx_estimated_absorpt_T_min   0.409
_exptl_absorpt_coefficient_mu    5.450
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_correction_T_min  0.5812
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0592 before and 0.0444 after correction.
The Ratio of minimum to maximum transmission is 0.7733.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.927
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5136
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5827
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        58.876
_diffrn_reflns_theta_max         58.876
_diffrn_reflns_theta_min         4.629
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                695
_reflns_number_total             770
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.715
_refine_diff_density_min         -1.132
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         770
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0455
_refine_ls_restrained_S_all      1.121
_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)+(0.0681P)²+437.6541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1317
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C1-C1_$31
 1.4 with sigma of 0.002
 N1-C1 = C1-N1_$14
 1.39 with sigma of 0.02
 C2-C3 = C3-C2_$14
 1.39 with sigma of 0.02
 N1-N1_$14
 2.408 with sigma of 0.04
 C2-C2_$14
 2.408 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C4 \\sim O2 \\sim O1 \\sim Yb1 \\sim F1: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01 within 2A
N1 \\sim C2 \\sim C3 \\sim C1: within 2A with sigma of 0.005 and sigma for
terminal atoms of 0.01 within 2A
O1 \\sim Yb1: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
Uanis(C3) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C1) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(O1) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.500000 0.500000 0.59970(3) 0.0317(4) Uani 1 8 d S T P . .
F1 F 0.45402(13) 0.45402(13) 0.54598(13) 0.0283(16) Uani 1 6 d S T P . .
O1 O 0.500000 0.500000 0.7004(16) 0.268(4) Uani 1 8 d S TU P . .
O2 O 0.500000 0.5752(3) 0.6367(2) 0.0699(19) Uani 1 2 d S TU P . .
N1 N 0.500000 0.6814(4) 0.7455(5) 0.146(3) Uani 1 2 d DS TU P . .
C1 C 0.500000 0.73167(3) 0.73167(3) 0.146(4) Uani 1 4 d DS TU P . .
C2 C 0.500000 0.6450(6) 0.7088(5) 0.141(4) Uani 1 2 d DS TU P . .
H2 H 0.500000 0.610868 0.717396 0.169 Uiso 1 2 calc R U P . .
C3 C 0.500000 0.6595(6) 0.6595(6) 0.137(4) Uani 1 4 d DS TU P . .
C4 C 0.500000 0.6202(4) 0.6202(4) 0.076(3) Uani 1 4 d S TU P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 F1 2.2785(17) 99_565 ?
Yb1 F1 2.2785(17) 2_665 ?
Yb1 F1 2.2785(17) 100_655 ?
Yb1 F1 2.2786(17) . ?
Yb1 O1 2.72(4) . ?
Yb1 O2 2.265(6) 109_665 ?
Yb1 O2 2.265(6) . ?
Yb1 O2 2.265(6) 110 ?
Yb1 O2 2.265(6) 2_665 ?
O2 C4 1.294(9) . ?
N1 C1 1.409(10) . ?
N1 C2 1.40(2) . ?
C1 C1 1.400(2) 28_566 ?
C2 H2 0.9500 . ?
C2 C3 1.389(11) . ?
C3 C4 1.50(3) . ?

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
F1 Yb1 F1 100.9(3) 99_565 100_655 ?
F1 Yb1 F1 100.9(3) 2_665 . ?
F1 Yb1 F1 66.06(16) 100_655 . ?
F1 Yb1 F1 66.06(16) 99_565 2_665 ?
F1 Yb1 F1 66.06(16) 99_565 . ?
F1 Yb1 F1 66.06(16) 100_655 2_665 ?
F1 Yb1 O1 129.57(15) 100_655 . ?
F1 Yb1 O1 129.57(15) 2_665 . ?
F1 Yb1 O1 129.57(15) 99_565 . ?
F1 Yb1 O1 129.57(15) . . ?
O2 Yb1 F1 78.0(2) 2_665 100_655 ?
O2 Yb1 F1 78.0(2) 109_665 . ?
O2 Yb1 F1 78.0(2) . 2_665 ?
O2 Yb1 F1 140.36(10) 2_665 2_665 ?
O2 Yb1 F1 78.0(2) 109_665 99_565 ?
O2 Yb1 F1 140.36(10) 109_665 2_665 ?
O2 Yb1 F1 78.0(2) 110 100_655 ?
O2 Yb1 F1 140.36(10) 110 99_565 ?
O2 Yb1 F1 140.36(10) 2_665 99_565 ?
O2 Yb1 F1 140.36(10) 109_665 100_655 ?
O2 Yb1 F1 140.36(10) . 100_655 ?
O2 Yb1 F1 78.0(2) . 99_565 ?
O2 Yb1 F1 140.36(10) 110 . ?
O2 Yb1 F1 78.0(2) 110 2_665 ?
O2 Yb1 F1 140.36(10) . . ?
O2 Yb1 F1 78.0(2) 2_665 . ?
O2 Yb1 O1 63.84(19) 110 . ?
O2 Yb1 O1 63.84(19) . . ?
O2 Yb1 O1 63.84(19) 2_665 . ?
O2 Yb1 O1 63.84(19) 109_665 . ?
O2 Yb1 O2 78.79(16) . 110 ?
O2 Yb1 O2 78.80(16) 2_665 109_665 ?
O2 Yb1 O2 78.79(16) . 109_665 ?
O2 Yb1 O2 127.7(4) . 2_665 ?
O2 Yb1 O2 78.80(16) 110 2_665 ?
O2 Yb1 O2 127.7(4) 110 109_665 ?
Yb1 F1 Yb1 113.41(13) 15_565 11_566 ?
Yb1 F1 Yb1 113.41(13) 7_665 20_565 ?
Yb1 F1 Yb1 113.41(13) 110 105_666 ?
Yb1 F1 Yb1 113.41(13) . 24_666 ?
Yb1 F1 Yb1 113.41(13) 24_666 105_666 ?
Yb1 F1 Yb1 113.41(13) 11_566 24_666 ?
Yb1 F1 Yb1 0.00(3) 12_665 11_566 ?
Yb1 F1 Yb1 113.41(13) . 118_656 ?
Yb1 F1 Yb1 113.41(13) 15_565 24_666 ?
Yb1 F1 Yb1 113.41(13) 15_565 118_656 ?
Yb1 F1 Yb1 113.41(13) 100_655 20_565 ?
Yb1 F1 Yb1 113.41(13) 12_665 24_666 ?
Yb1 F1 Yb1 113.41(13) 2_665 105_666 ?
Yb1 F1 Yb1 0.00(3) 24_666 118_656 ?
Yb1 F1 Yb1 113.41(13) 100_655 105_666 ?
Yb1 F1 Yb1 113.41(13) 110 7_665 ?
Yb1 F1 Yb1 113.41(13) 2_665 11_566 ?
Yb1 F1 Yb1 113.41(13) 2_665 7_665 ?
Yb1 F1 Yb1 113.41(13) 100_655 11_566 ?
Yb1 F1 Yb1 113.41(13) 100_655 7_665 ?
Yb1 F1 Yb1 113.41(13) 110 24_666 ?
Yb1 F1 Yb1 113.41(13) 11_566 7_665 ?
Yb1 F1 Yb1 113.41(13) 2_665 24_666 ?
Yb1 F1 Yb1 113.41(13) 105_666 7_665 ?
Yb1 F1 Yb1 113.41(13) 100_655 24_666 ?
Yb1 F1 Yb1 113.41(13) 110 20_565 ?
Yb1 F1 Yb1 113.41(13) 12_665 118_656 ?
Yb1 F1 Yb1 113.41(13) 2_665 20_565 ?
Yb1 F1 Yb1 113.41(13) . 105_666 ?
Yb1 F1 Yb1 0.00(3) 11_566 20_565 ?
Yb1 F1 Yb1 113.41(13) 15_565 105_666 ?
Yb1 F1 Yb1 0.00(3) 105_666 20_565 ?
Yb1 F1 Yb1 0.00(3) 11_566 105_666 ?
Yb1 F1 Yb1 113.41(13) 110 11_566 ?
Yb1 F1 Yb1 113.41(13) 110 118_656 ?
Yb1 F1 Yb1 113.41(13) . 11_566 ?
Yb1 F1 Yb1 113.41(13) 2_665 118_656 ?
Yb1 F1 Yb1 0.00(3) 110 . ?
Yb1 F1 Yb1 113.41(13) 100_655 118_656 ?
Yb1 F1 Yb1 0.00(3) 110 2_665 ?
Yb1 F1 Yb1 113.41(13) 11_566 118_656 ?
Yb1 F1 Yb1 0.00(3) . 2_665 ?
Yb1 F1 Yb1 113.41(13) 105_666 118_656 ?
Yb1 F1 Yb1 0.00(3) 110 15_565 ?
Yb1 F1 Yb1 113.41(13) . 7_665 ?
Yb1 F1 Yb1 0.00(3) . 15_565 ?
Yb1 F1 Yb1 113.41(13) 15_565 7_665 ?
Yb1 F1 Yb1 0.00(3) 2_665 15_565 ?
Yb1 F1 Yb1 113.41(13) 12_665 7_665 ?
Yb1 F1 Yb1 0.00(3) 110 100_655 ?
Yb1 F1 Yb1 0.00(3) 24_666 7_665 ?
Yb1 F1 Yb1 0.00(3) . 100_655 ?
Yb1 F1 Yb1 0.00(3) 118_656 7_665 ?
Yb1 F1 Yb1 0.00(3) 2_665 100_655 ?
Yb1 F1 Yb1 113.41(13) . 20_565 ?
Yb1 F1 Yb1 0.00(3) 15_565 100_655 ?
Yb1 F1 Yb1 113.41(13) 15_565 20_565 ?
Yb1 F1 Yb1 113.41(13) 110 12_665 ?
Yb1 F1 Yb1 0.00(3) 12_665 20_565 ?
Yb1 F1 Yb1 113.41(13) . 12_665 ?
Yb1 F1 Yb1 113.41(13) 24_666 20_565 ?
Yb1 F1 Yb1 113.41(13) 2_665 12_665 ?
Yb1 F1 Yb1 113.41(13) 118_656 20_565 ?
Yb1 F1 Yb1 113.41(13) 15_565 12_665 ?
Yb1 F1 Yb1 113.41(13) 100_655 12_665 ?
Yb1 F1 Yb1 0.00(3) 12_665 105_666 ?
Yb1 O1 Yb1 0.0 110 . ?
Yb1 O1 Yb1 0.0 2_665 15_565 ?
Yb1 O1 Yb1 0.0 110 15_565 ?
Yb1 O1 Yb1 0.0 110 2_665 ?
Yb1 O1 Yb1 0.0 2_665 100_655 ?
Yb1 O1 Yb1 0.0 . 2_665 ?
Yb1 O1 Yb1 0.0 . 15_565 ?
Yb1 O1 Yb1 0.0 110 100_655 ?
Yb1 O1 Yb1 0.0 . 100_655 ?
Yb1 O1 Yb1 0.0 100_655 15_565 ?
Yb1 O2 Yb1 0.00(3) 110 . ?
Yb1 O2 Yb1 0.00(3) 100_655 15_565 ?
Yb1 O2 Yb1 0.00(3) . 15_565 ?
Yb1 O2 Yb1 0.00(3) 110 2_665 ?
Yb1 O2 Yb1 0.00(3) 110 15_565 ?
Yb1 O2 Yb1 0.00(3) . 2_665 ?
Yb1 O2 Yb1 0.00(3) 2_665 15_565 ?
Yb1 O2 Yb1 0.00(3) 110 100_655 ?
Yb1 O2 Yb1 0.00(3) 2_665 100_655 ?
Yb1 O2 Yb1 0.00(3) . 100_655 ?
C4 O2 Yb1 133.8(8) . 15_565 ?
C4 O2 Yb1 133.8(8) . . ?
C4 O2 Yb1 133.8(8) . 2_665 ?
C4 O2 Yb1 133.8(8) . 110 ?
C4 O2 Yb1 133.8(8) . 100_655 ?
C2 N1 C1 119.3(11) . . ?
N1 C1 N1 120.8(12) 18_655 . ?
C1 C1 N1 119.6(6) 28_566 . ?
C1 C1 N1 119.6(6) 28_566 18_655 ?
N1 C2 H2 120.6 . . ?
C3 C2 N1 118.9(17) . . ?
C3 C2 H2 120.6 . . ?
C2 C3 C2 123(2) 18_655 . ?
C2 C3 C4 118.6(12) 18_655 . ?
C2 C3 C4 118.6(12) . . ?
O2 C4 O2 130.1(13) 18_655 . ?
O2 C4 C3 115.0(7) 18_655 . ?
O2 C4 C3 115.0(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Yb1 O2 C4 O2 0.000(7) 110 . . 18_655 ?
Yb1 O2 C4 O2 0.000(7) 2_665 . . 18_655 ?
Yb1 O2 C4 O2 0.000(7) 100_655 . . 18_655 ?
Yb1 O2 C4 O2 0.000(7) . . . 18_655 ?
Yb1 O2 C4 O2 0.000(7) 15_565 . . 18_655 ?
Yb1 O2 C4 C3 180.000(7) 110 . . . ?
Yb1 O2 C4 C3 180.000(7) 100_655 . . . ?
Yb1 O2 C4 C3 180.000(7) 15_565 . . . ?
Yb1 O2 C4 C3 180.000(7) 2_665 . . . ?
Yb1 O2 C4 C3 180.000(7) . . . . ?
N1 C2 C3 C2 0.000(8) . . . 18_655 ?
N1 C2 C3 C4 180.000(7) . . . . ?
C1 N1 C2 C3 0.000(7) . . . . ?
C2 N1 C1 N1 0.000(9) . . . 18_655 ?
C2 N1 C1 C1 180.000(4) . . . 28_566 ?
C2 C3 C4 O2 0.000(8) 18_655 . . 18_655 ?
C2 C3 C4 O2 180.000(8) 18_655 . . . ?
C2 C3 C4 O2 180.000(8) . . . 18_655 ?
C2 C3 C4 O2 0.000(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.254 -0.550 -0.441 13538.7 3263.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
