# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2163665'
loop_
_audit_author_name
_audit_author_address
'Hongxin Li'
;Shaanxi Normal University
China
;
_audit_update_record             
;
2022-05-21 deposited with the CCDC.	2022-06-21 downloaded from the CCDC.
;
_audit_creation_date             2022-05-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C96 H60 F15 N18 O32 Yb9'
_chemical_formula_sum            'C96 H60 F15 N18 O32 Yb9'
_chemical_formula_weight         3819.98
_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      hexagonal
_space_group_IT_number           194
_space_group_name_H-M_alt        'P 63/m m c'
_space_group_name_Hall           '-P 6c 2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, z-1/2'

_cell_length_a                   33.598(5)
_cell_length_b                   33.598(5)
_cell_length_c                   22.159(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     21662(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7069
_cell_measurement_temperature    153.0
_cell_measurement_theta_max      49.82
_cell_measurement_theta_min      2.51
_shelx_estimated_absorpt_T_max   0.810
_shelx_estimated_absorpt_T_min   0.710
_exptl_absorpt_coefficient_mu    3.674
_exptl_absorpt_correction_T_max  0.802
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1837 before and 0.0740 after correction.
The Ratio of minimum to maximum transmission is 0.6897.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.586
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'spindly shape'
_exptl_crystal_F_000             3566
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2190
_diffrn_reflns_av_unetI/netI     0.0848
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            66891
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        50.682
_diffrn_reflns_theta_max         50.682
_diffrn_reflns_theta_min         2.506
_diffrn_ambient_temperature      153.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2215
_reflns_number_total             4197
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.732
_refine_diff_density_min         -1.517
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       0.000040(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         4197
_refine_ls_number_restraints     312
_refine_ls_R_factor_all          0.1152
_refine_ls_R_factor_gt           0.0827
_refine_ls_restrained_S_all      0.908
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2427
_refine_ls_wR_factor_ref         0.2750
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Restrained distances
 Yb1-O1 \\sim Yb1A-O1
 with sigma of 0.02
 F2-O2 \\sim F2A-O2A
 with sigma of 0.04
 Yb1-O2 \\sim Yb1A-O2A
 with sigma of 0.02
 F3-O2 \\sim F3A-O2A
 with sigma of 0.04
 Yb1A-O2A \\sim Yb1-O2
 with sigma of 0.02
 O1-O2 \\sim O1-O2A
 with sigma of 0.04
 Yb2-F1 \\sim Yb2A-F1A
 with sigma of 0.02
 Yb1-F1 \\sim Yb1A-F1A
 with sigma of 0.02
 Yb2-F2 \\sim Yb2A-F2A
 with sigma of 0.02
 Yb1-F3 \\sim Yb1A-F3A
 with sigma of 0.02
 F2-F3 \\sim F2A-F3A
 with sigma of 0.04
 F2-O1 \\sim F2A-O1
 with sigma of 0.04
 Yb1-Yb2 \\sim Yb1A-Yb2A
 with sigma of 0.04
 F3-O1 \\sim F3A-O1
 with sigma of 0.04
 F1-F2 \\sim F1A-F2A
 with sigma of 0.04
 F1-F3 \\sim F1A-F3A
 with sigma of 0.04
 F1-O1 \\sim F1A-O1
 with sigma of 0.04
 F1-O2 \\sim F1A-O2A
 with sigma of 0.04
 Yb1-F2 \\sim Yb1A-F2A
 with sigma of 0.02
 Yb2A-F1A \\sim Yb2-F1
 with sigma of 0.02
 O5-C1 \\sim O6-C1
 with sigma of 0.02
3. Restrained planarity
 N1, N2_$1, N2, C2, C2_$1, C3, C3_$1, C4_$1, C4, C5_$1, C5, C6_$1, C6, C7_$1,
 C7, C8_$1, C8
 with sigma of 0.1
 C2, C3, C4, C5, C6, C7
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(F1) \\sim Ueq: with sigma of 0.0005 and sigma for terminal atoms of 0.001
5. Rigid body (RIGU) restrains
 Yb1, Yb2, F1, F2, F3, O1, O2, F3A, Yb1A, F2A, Yb2A, O2A, F1A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(Yb1A)=Sof(F2A)=Sof(O2A)=Sof(F1A)=0.5*(1-FVAR(2))
 Sof(F3A)=Sof(Yb2A)=0.25*(1-FVAR(2))
 Sof(Yb2)=Sof(F3)=0.25*FVAR(2)
 Sof(Yb1)=Sof(F1)=Sof(F2)=Sof(O2)=0.5*FVAR(2)
7.a Aromatic/amide H refined with riding coordinates:
 N2(H2), C7(H7), C3(H3), C4(H4), C6(H6)
7.b Fitted hexagon refined as free rotating group:
 C7(C2,C3,C4,C5,C6)
;
_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 0.37093(3) 0.62907(3) 0.66418(7) 0.1290(6) Uani 0.778(2) 2 d DS TU P A 1
Yb2 Yb 0.26742(3) 0.53483(7) 0.7500 0.1065(6) Uani 0.778(2) 4 d DS TU P A 1
F1 F 0.2981(4) 0.5961(7) 0.6514(8) 0.1167(11) Uani 0.778(2) 2 d DS TU P A 1
F2 F 0.3418(4) 0.5936(4) 0.7500 0.122(3) Uani 0.778(2) 2 d DS TU P A 1
F3 F 0.3951(7) 0.6049(7) 0.7500 0.126(4) Uani 0.778(2) 4 d DS TU P A 1
O1 O 0.3333 0.6667 0.6905(5) 0.091(3) Uani 1 6 d DS TU P . .
O2 O 0.3619(3) 0.6381(3) 0.5693(7) 0.182(5) Uani 0.778(2) 2 d DS TU P A 1
N1 N 0.3964(7) 0.3964(7) 0.5000 0.347(8) Uani 1 2 d S TU P . .
N2 N 0.3179(6) 0.3395(5) 0.5190(4) 0.398(8) Uani 1 1 d . U . . .
H2 H 0.2896 0.3280 0.5326 0.477 Uiso 1 1 calc R U . . .
C7 C 0.3797(3) 0.4931(3) 0.5976(6) 0.291(6) Uani 1 1 d G U . . .
H7 H 0.4053 0.5233 0.6007 0.349 Uiso 1 1 calc R U . . .
C2 C 0.3390(4) 0.4817(4) 0.6274(5) 0.269(5) Uani 1 1 d G U . . .
C3 C 0.3015(3) 0.4375(5) 0.6229(6) 0.319(6) Uani 1 1 d G U . . .
H3 H 0.2737 0.4297 0.6433 0.383 Uiso 1 1 calc R U . . .
C4 C 0.3048(4) 0.4046(3) 0.5885(7) 0.351(7) Uani 1 1 d G U . . .
H4 H 0.2792 0.3744 0.5853 0.421 Uiso 1 1 calc R U . . .
C5 C 0.3455(5) 0.4160(4) 0.5586(5) 0.345(6) Uani 1 1 d G U . . .
C6 C 0.3830(3) 0.4602(4) 0.5632(5) 0.307(6) Uani 1 1 d G U . . .
H6 H 0.4108 0.4680 0.5428 0.368 Uiso 1 1 calc R U . . .
C8 C 0.3614(8) 0.3889(8) 0.5270(8) 0.369(7) Uani 1 1 d . U . . .
F3A F 0.2699(8) 0.5398(16) 0.7500 0.112(4) Uani 0.222(2) 4 d DS TU P A 2
Yb1A Yb 0.29408(11) 0.5882(2) 0.66632(19) 0.1057(17) Uani 0.222(2) 2 d DS TU P
A 2
F2A F 0.3220(8) 0.5824(9) 0.7500 0.116(4) Uani 0.222(2) 2 d DS TU P A 2
Yb2A Yb 0.3941(6) 0.5930(7) 0.7500 0.129(4) Uani 0.1111(12) 2 d DS TU P A 2
O2A O 0.3044(6) 0.6089(12) 0.5713(10) 0.124(5) Uani 0.222(2) 2 d DS TU P A 2
F1A F 0.3680(6) 0.6320(6) 0.6555(14) 0.124(5) Uani 0.222(2) 2 d DS TU P A 2
O6 O 0.2971(3) 0.5069(4) 0.6814(6) 0.230(4) Uani 1 1 d D U . . .
O5 O 0.3603(4) 0.5505(4) 0.6541(6) 0.243(5) Uani 1 1 d D U . . .
C1 C 0.3268(6) 0.5192(7) 0.6492(11) 0.254(5) Uani 1 1 d D U . . .


_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 Yb1 3.790(3) 3_565 ?
Yb1 Yb1 3.790(3) 2_665 ?
Yb1 Yb1 3.803(3) 16_557 ?
Yb1 F1 2.143(10) 2_665 ?
Yb1 F1 2.142(10) . ?
Yb1 F2 2.197(6) 19_665 ?
Yb1 F2 2.197(6) . ?
Yb1 F3 2.36(2) . ?
Yb1 O1 2.264(3) . ?
Yb1 O2 2.167(16) . ?
Yb1 O5 2.492(13) . ?
Yb1 O5 2.492(13) 19_665 ?
Yb2 Yb1 3.8371(16) 18_567 ?
Yb2 Yb1 3.8371(17) 3_565 ?
Yb2 Yb1 3.8373(17) 16_557 ?
Yb2 F1 2.820(18) 16_557 ?
Yb2 F1 2.820(18) . ?
Yb2 F2 2.282(11) . ?
Yb2 F2 2.282(11) 20 ?
Yb2 O6 2.264(10) 11_556 ?
Yb2 O6 2.264(10) 16_557 ?
Yb2 O6 2.264(10) . ?
Yb2 O6 2.264(10) 20 ?
F1 Yb1 2.142(10) 3_565 ?
F2 Yb1 2.197(6) 16_557 ?
F2 F3 1.63(3) . ?
F3 Yb1 2.36(2) 16_557 ?
F3 F2 1.63(3) 19_665 ?
O1 Yb1 2.264(3) 3_565 ?
O1 Yb1 2.264(3) 2_665 ?
O1 Yb1A 2.346(7) 3_565 ?
O1 Yb1A 2.346(7) 20 ?
O1 Yb1A 2.346(7) 2_665 ?
O1 Yb1A 2.346(7) . ?
N1 C8 1.23(2) 7_556 ?
N1 C8 1.23(2) . ?
N2 N2 1.51(3) 7_556 ?
N2 H2 0.8800 . ?
N2 C8 1.58(2) . ?
C7 H7 0.9500 . ?
C7 C2 1.3900 . ?
C7 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 C1 1.58(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C5 C8 1.444(19) . ?
C6 H6 0.9500 . ?
C8 C8 2.00(4) 7_556 ?
F3A Yb1A 2.33(3) 20 ?
F3A Yb1A 2.33(3) 11_556 ?
F3A Yb1A 2.33(3) . ?
F3A Yb1A 2.33(3) 16_557 ?
F3A F2A 1.61(4) 20 ?
F3A F2A 1.61(4) . ?
Yb1A Yb1A 3.709(8) 11_556 ?
Yb1A Yb1A 3.709(8) 16_557 ?
Yb1A Yb1A 0.000(15) 20 ?
Yb1A F2A 2.130(11) 20 ?
Yb1A F2A 2.130(11) . ?
Yb1A O2A 2.19(2) . ?
Yb1A F1A 2.177(14) 3_565 ?
Yb1A F1A 2.177(14) . ?
Yb1A O6 2.802(14) 20 ?
Yb1A O6 2.802(14) . ?
F2A Yb1A 2.130(11) 20 ?
F2A Yb1A 2.130(11) 11_556 ?
F2A Yb1A 2.130(11) 16_557 ?
F2A Yb2A 2.27(2) . ?
F2A Yb2A 2.56(3) 19_665 ?
Yb2A Yb1A 3.992(16) 2_665 ?
Yb2A Yb1A 3.992(16) 17_667 ?
Yb2A F2A 2.56(3) 19_665 ?
Yb2A Yb2A 0.44(4) 19_665 ?
Yb2A F1A 2.83(3) 16_557 ?
Yb2A F1A 2.83(3) . ?
Yb2A O5 2.495(16) . ?
Yb2A O5 2.744(18) 10_666 ?
Yb2A O5 2.494(16) 16_557 ?
Yb2A O5 2.744(18) 19_665 ?
O2A Yb1A 2.19(2) 20 ?
F1A Yb1A 2.177(14) 20 ?
F1A Yb1A 2.177(14) 2_665 ?
F1A Yb2A 2.83(3) 19_665 ?
O6 Yb1A 2.802(14) 20 ?
O6 C1 1.123(14) . ?
O5 Yb1A 3.074(12) 20 ?
O5 Yb2A 2.744(18) 19_665 ?
O5 C1 1.096(14) . ?
C1 Yb1A 3.05(2) 20 ?

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
Yb1 Yb1 Yb1 90.0 2_665 16_557 ?
Yb1 Yb1 Yb1 90.0 3_565 16_557 ?
Yb1 Yb1 Yb1 60.0 3_565 2_665 ?
F1 Yb1 Yb1 97.6(5) . 16_557 ?
F1 Yb1 Yb1 27.8(5) 2_665 2_665 ?
F1 Yb1 Yb1 86.9(5) 2_665 3_565 ?
F1 Yb1 Yb1 97.6(5) 2_665 16_557 ?
F1 Yb1 Yb1 86.9(5) . 2_665 ?
F1 Yb1 Yb1 27.8(5) . 3_565 ?
F1 Yb1 F1 112.1(10) . 2_665 ?
F1 Yb1 F2 124.7(6) 2_665 . ?
F1 Yb1 F2 75.5(5) . . ?
F1 Yb1 F2 75.5(5) 2_665 19_665 ?
F1 Yb1 F2 124.7(6) . 19_665 ?
F1 Yb1 F3 115.4(6) 2_665 . ?
F1 Yb1 F3 115.4(6) . . ?
F1 Yb1 O1 60.7(6) 2_665 . ?
F1 Yb1 O1 60.7(6) . . ?
F1 Yb1 O5 156.6(6) . 19_665 ?
F1 Yb1 O5 85.4(6) 2_665 19_665 ?
F1 Yb1 O5 85.4(6) . . ?
F1 Yb1 O5 156.6(6) 2_665 . ?
F2 Yb1 Yb1 80.0(3) 19_665 2_665 ?
F2 Yb1 Yb1 30.1(2) . 16_557 ?
F2 Yb1 Yb1 30.1(2) 19_665 16_557 ?
F2 Yb1 Yb1 108.7(3) 19_665 3_565 ?
F2 Yb1 Yb1 80.0(3) . 3_565 ?
F2 Yb1 Yb1 108.7(3) . 2_665 ?
F2 Yb1 F2 59.2(5) 19_665 . ?
F2 Yb1 F3 41.8(6) 19_665 . ?
F2 Yb1 F3 41.8(6) . . ?
F2 Yb1 O1 81.9(4) . . ?
F2 Yb1 O1 81.9(4) 19_665 . ?
F2 Yb1 O5 107.9(4) 19_665 . ?
F2 Yb1 O5 73.4(4) 19_665 19_665 ?
F2 Yb1 O5 73.4(4) . . ?
F2 Yb1 O5 107.9(4) . 19_665 ?
F3 Yb1 Yb1 121.0(6) . 2_665 ?
F3 Yb1 Yb1 36.4(8) . 16_557 ?
F3 Yb1 Yb1 121.0(6) . 3_565 ?
F3 Yb1 O5 66.5(7) . . ?
F3 Yb1 O5 66.5(7) . 19_665 ?
O1 Yb1 Yb1 33.19(12) . 3_565 ?
O1 Yb1 Yb1 75.1(3) . 16_557 ?
O1 Yb1 Yb1 33.19(12) . 2_665 ?
O1 Yb1 F3 111.5(8) . . ?
O1 Yb1 O5 142.2(2) . . ?
O1 Yb1 O5 142.2(2) . 19_665 ?
O2 Yb1 Yb1 77.8(4) . 3_565 ?
O2 Yb1 Yb1 165.9(5) . 16_557 ?
O2 Yb1 Yb1 77.8(4) . 2_665 ?
O2 Yb1 F1 74.9(6) . . ?
O2 Yb1 F1 74.9(6) . 2_665 ?
O2 Yb1 F2 149.3(3) . . ?
O2 Yb1 F2 149.3(3) . 19_665 ?
O2 Yb1 F3 157.6(9) . . ?
O2 Yb1 O1 90.8(6) . . ?
O2 Yb1 O5 96.1(5) . 19_665 ?
O2 Yb1 O5 96.1(5) . . ?
O5 Yb1 Yb1 171.2(3) . 2_665 ?
O5 Yb1 Yb1 95.2(3) . 16_557 ?
O5 Yb1 Yb1 112.8(3) . 3_565 ?
O5 Yb1 Yb1 95.2(3) 19_665 16_557 ?
O5 Yb1 Yb1 112.8(3) 19_665 2_665 ?
O5 Yb1 Yb1 171.2(3) 19_665 3_565 ?
O5 Yb1 O5 73.9(5) 19_665 . ?
Yb1 Yb2 Yb1 59.19(6) 18_567 16_557 ?
Yb1 Yb2 Yb1 59.41(5) 16_557 . ?
Yb1 Yb2 Yb1 59.42(5) 18_567 3_565 ?
Yb1 Yb2 Yb1 88.79(6) 3_565 16_557 ?
Yb1 Yb2 Yb1 88.79(6) 18_567 . ?
Yb1 Yb2 Yb1 59.18(6) 3_565 . ?
F1 Yb2 Yb1 86.1(4) 16_557 3_565 ?
F1 Yb2 Yb1 86.1(4) . 18_567 ?
F1 Yb2 Yb1 33.3(2) . . ?
F1 Yb2 Yb1 33.3(2) . 3_565 ?
F1 Yb2 Yb1 86.1(4) 16_557 . ?
F1 Yb2 Yb1 33.3(2) 16_557 18_567 ?
F1 Yb2 Yb1 33.3(2) 16_557 16_557 ?
F1 Yb2 Yb1 86.1(4) . 16_557 ?
F1 Yb2 F1 101.6(9) 16_557 . ?
F2 Yb2 Yb1 30.42(6) 20 3_565 ?
F2 Yb2 Yb1 78.0(2) . 18_567 ?
F2 Yb2 Yb1 78.0(2) . 3_565 ?
F2 Yb2 Yb1 78.0(2) 20 . ?
F2 Yb2 Yb1 30.42(6) . . ?
F2 Yb2 Yb1 78.0(2) 20 16_557 ?
F2 Yb2 Yb1 30.42(6) . 16_557 ?
F2 Yb2 Yb1 30.42(6) 20 18_567 ?
F2 Yb2 F1 61.7(3) 20 . ?
F2 Yb2 F1 61.7(3) 20 16_557 ?
F2 Yb2 F1 61.7(3) . 16_557 ?
F2 Yb2 F1 61.7(3) . . ?
F2 Yb2 F2 83.0(5) 20 . ?
O6 Yb2 Yb1 105.6(2) 20 18_567 ?
O6 Yb2 Yb1 66.6(3) 11_556 18_567 ?
O6 Yb2 Yb1 104.1(4) 11_556 16_557 ?
O6 Yb2 Yb1 66.6(3) 16_557 16_557 ?
O6 Yb2 Yb1 155.4(3) 20 16_557 ?
O6 Yb2 Yb1 104.1(4) 20 . ?
O6 Yb2 Yb1 155.4(3) . 18_567 ?
O6 Yb2 Yb1 66.6(3) . . ?
O6 Yb2 Yb1 66.6(3) 20 3_565 ?
O6 Yb2 Yb1 155.4(3) 11_556 . ?
O6 Yb2 Yb1 105.6(2) 11_556 3_565 ?
O6 Yb2 Yb1 105.6(3) 16_557 . ?
O6 Yb2 Yb1 104.1(4) . 3_565 ?
O6 Yb2 Yb1 104.1(4) 16_557 18_567 ?
O6 Yb2 Yb1 155.4(3) 16_557 3_565 ?
O6 Yb2 Yb1 105.6(3) . 16_557 ?
O6 Yb2 F1 72.9(5) . . ?
O6 Yb2 F1 138.4(3) . 16_557 ?
O6 Yb2 F1 72.9(5) 20 . ?
O6 Yb2 F1 138.4(3) 16_557 . ?
O6 Yb2 F1 72.9(5) 16_557 16_557 ?
O6 Yb2 F1 138.4(3) 11_556 . ?
O6 Yb2 F1 72.9(5) 11_556 16_557 ?
O6 Yb2 F1 138.4(3) 20 16_557 ?
O6 Yb2 F2 134.3(4) . 20 ?
O6 Yb2 F2 134.3(4) 16_557 20 ?
O6 Yb2 F2 134.3(4) 20 . ?
O6 Yb2 F2 80.8(3) . . ?
O6 Yb2 F2 80.8(3) 11_556 20 ?
O6 Yb2 F2 80.8(3) 16_557 . ?
O6 Yb2 F2 80.8(3) 20 20 ?
O6 Yb2 F2 134.3(4) 11_556 . ?
O6 Yb2 O6 84.4(8) . 16_557 ?
O6 Yb2 O6 138.0(6) 20 16_557 ?
O6 Yb2 O6 80.8(6) 11_556 16_557 ?
O6 Yb2 O6 84.4(8) 20 11_556 ?
O6 Yb2 O6 80.8(6) 20 . ?
O6 Yb2 O6 138.0(6) 11_556 . ?
Yb1 F1 Yb1 124.4(11) . 3_565 ?
Yb1 F1 Yb2 100.4(5) . . ?
Yb1 F1 Yb2 100.4(5) 3_565 . ?
Yb1 F2 Yb1 119.9(5) 16_557 . ?
Yb1 F2 Yb2 117.9(3) . . ?
Yb1 F2 Yb2 117.9(3) 16_557 . ?
F3 F2 Yb1 74.6(5) . 16_557 ?
F3 F2 Yb1 74.6(5) . . ?
F3 F2 Yb2 143.2(11) . . ?
Yb1 F3 Yb1 107.1(16) 16_557 . ?
F2 F3 Yb1 63.7(9) . 16_557 ?
F2 F3 Yb1 63.6(9) 19_665 . ?
F2 F3 Yb1 63.7(9) . . ?
F2 F3 Yb1 63.7(9) 19_665 16_557 ?
F2 F3 F2 83(2) . 19_665 ?
Yb1 O1 Yb1 113.6(2) 3_565 2_665 ?
Yb1 O1 Yb1 113.6(2) 3_565 . ?
Yb1 O1 Yb1 113.6(2) 2_665 . ?
Yb1A O1 Yb1A 0.00(18) . 20 ?
Yb1A O1 Yb1A 115.0(2) 3_565 20 ?
Yb1A O1 Yb1A 115.0(2) 2_665 20 ?
Yb1A O1 Yb1A 115.0(2) 3_565 2_665 ?
Yb1A O1 Yb1A 115.0(2) 3_565 . ?
Yb1A O1 Yb1A 115.0(2) 2_665 . ?
C8 N1 C8 109(3) 7_556 . ?
N2 N2 H2 130.6 7_556 . ?
N2 N2 C8 98.8(9) 7_556 . ?
C8 N2 H2 130.6 . . ?
C2 C7 H7 120.0 . . ?
C2 C7 C6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C2 C1 122.5(10) . . ?
C3 C2 C7 120.0 . . ?
C3 C2 C1 114.6(10) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 C8 132.9(13) . . ?
C6 C5 C8 106.6(13) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
N1 C8 N2 116.6(19) . . ?
N1 C8 C5 136(2) . . ?
N1 C8 C8 35.5(14) . 7_556 ?
N2 C8 C8 81.1(9) . 7_556 ?
C5 C8 N2 106.1(15) . . ?
C5 C8 C8 169.5(15) . 7_556 ?
Yb1A F3A Yb1A 105.6(18) 16_557 20 ?
Yb1A F3A Yb1A 105.6(18) 16_557 . ?
Yb1A F3A Yb1A 105.6(18) 11_556 . ?
Yb1A F3A Yb1A 0.00(16) 16_557 11_556 ?
Yb1A F3A Yb1A 105.6(18) 11_556 20 ?
Yb1A F3A Yb1A 0.00(16) . 20 ?
F2A F3A Yb1A 62.4(12) . . ?
F2A F3A Yb1A 62.4(12) . 20 ?
F2A F3A Yb1A 62.4(12) . 16_557 ?
F2A F3A Yb1A 62.4(12) 20 11_556 ?
F2A F3A Yb1A 62.4(12) 20 16_557 ?
F2A F3A Yb1A 62.4(12) . 11_556 ?
F2A F3A Yb1A 62.4(12) 20 20 ?
F2A F3A Yb1A 62.4(12) 20 . ?
F2A F3A F2A 80(3) 20 . ?
O1 Yb1A Yb1A 76.8(3) . 11_556 ?
O1 Yb1A Yb1A 76.8(3) . 16_557 ?
O1 Yb1A O6 142.6(3) . 20 ?
O1 Yb1A O6 142.6(3) . . ?
F3A Yb1A O1 114.0(10) . . ?
F3A Yb1A Yb1A 37.2(9) . 11_556 ?
F3A Yb1A Yb1A 37.2(9) . 16_557 ?
F3A Yb1A O6 52.8(7) . 20 ?
F3A Yb1A O6 52.8(7) . . ?
Yb1A Yb1A O1 90(10) 20 . ?
Yb1A Yb1A F3A 90(10) 20 . ?
Yb1A Yb1A Yb1A 0.0(2) 11_556 16_557 ?
Yb1A Yb1A Yb1A 90(2) 20 11_556 ?
Yb1A Yb1A Yb1A 90(2) 20 16_557 ?
Yb1A Yb1A F2A 119(10) 20 20 ?
Yb1A Yb1A F2A 61(10) 20 . ?
Yb1A Yb1A O2A 90(10) 20 . ?
Yb1A Yb1A F1A 143(10) 20 3_565 ?
Yb1A Yb1A F1A 37(10) 20 . ?
Yb1A Yb1A O6 58(10) 20 . ?
Yb1A Yb1A O6 122(10) 20 20 ?
F2A Yb1A O1 83.0(8) . . ?
F2A Yb1A O1 83.0(8) 20 . ?
F2A Yb1A F3A 42.2(8) . . ?
F2A Yb1A F3A 42.2(8) 20 . ?
F2A Yb1A Yb1A 29.5(5) . 11_556 ?
F2A Yb1A Yb1A 29.5(5) 20 16_557 ?
F2A Yb1A Yb1A 29.5(5) . 16_557 ?
F2A Yb1A Yb1A 29.5(5) 20 11_556 ?
F2A Yb1A F2A 58.1(10) 20 . ?
F2A Yb1A O2A 149.2(6) . . ?
F2A Yb1A O2A 149.2(6) 20 . ?
F2A Yb1A F1A 75.6(9) . . ?
F2A Yb1A F1A 122.1(11) 20 . ?
F2A Yb1A F1A 75.6(9) 20 3_565 ?
F2A Yb1A F1A 122.1(11) . 3_565 ?
F2A Yb1A O6 64.9(7) 20 20 ?
F2A Yb1A O6 94.8(7) 20 . ?
F2A Yb1A O6 64.9(7) . . ?
F2A Yb1A O6 94.8(7) . 20 ?
O2A Yb1A O1 87.2(9) . . ?
O2A Yb1A F3A 158.8(13) . . ?
O2A Yb1A Yb1A 164.0(9) . 11_556 ?
O2A Yb1A Yb1A 164.0(9) . 16_557 ?
O2A Yb1A F1A 74.5(9) . . ?
O2A Yb1A F1A 74.5(9) . 3_565 ?
O2A Yb1A O6 110.3(8) . 20 ?
O2A Yb1A O6 110.3(8) . . ?
F1A Yb1A O1 57.0(10) . . ?
F1A Yb1A O1 57.0(10) 3_565 . ?
F1A Yb1A F3A 116.2(9) 3_565 . ?
F1A Yb1A F3A 116.2(9) . . ?
F1A Yb1A Yb1A 96.3(9) 3_565 11_556 ?
F1A Yb1A Yb1A 96.3(9) 3_565 16_557 ?
F1A Yb1A Yb1A 96.3(9) . 11_556 ?
F1A Yb1A Yb1A 96.3(9) . 16_557 ?
F1A Yb1A F1A 106.9(18) 3_565 . ?
F1A Yb1A O6 94.9(9) . . ?
F1A Yb1A O6 94.9(9) 3_565 20 ?
F1A Yb1A O6 158.0(10) . 20 ?
F1A Yb1A O6 158.0(10) 3_565 . ?
O6 Yb1A Yb1A 83.2(3) . 16_557 ?
O6 Yb1A Yb1A 83.2(3) . 11_556 ?
O6 Yb1A Yb1A 83.2(3) 20 11_556 ?
O6 Yb1A Yb1A 83.2(3) 20 16_557 ?
O6 Yb1A O6 63.1(4) 20 . ?
F3A F2A Yb1A 75.5(9) . 16_557 ?
F3A F2A Yb1A 75.5(9) . 20 ?
F3A F2A Yb1A 75.5(9) . 11_556 ?
F3A F2A Yb1A 75.5(9) . . ?
F3A F2A Yb2A 137.6(17) . . ?
F3A F2A Yb2A 145.4(16) . 19_665 ?
Yb1A F2A Yb1A 0.00(18) 11_556 16_557 ?
Yb1A F2A Yb1A 121.1(10) 11_556 . ?
Yb1A F2A Yb1A 0.00(18) 20 . ?
Yb1A F2A Yb1A 121.1(10) 20 11_556 ?
Yb1A F2A Yb1A 121.1(10) 20 16_557 ?
Yb1A F2A Yb1A 121.1(10) . 16_557 ?
Yb1A F2A Yb2A 118.1(5) 11_556 . ?
Yb1A F2A Yb2A 118.1(5) 16_557 . ?
Yb1A F2A Yb2A 116.5(6) 16_557 19_665 ?
Yb1A F2A Yb2A 116.5(6) 20 19_665 ?
Yb1A F2A Yb2A 116.5(6) 11_556 19_665 ?
Yb1A F2A Yb2A 118.1(5) . . ?
Yb1A F2A Yb2A 118.1(5) 20 . ?
Yb1A F2A Yb2A 116.5(6) . 19_665 ?
Yb2A F2A Yb2A 7.8(7) . 19_665 ?
Yb1A Yb2A Yb1A 55.4(3) 17_667 2_665 ?
F2A Yb2A Yb1A 28.52(18) 19_665 2_665 ?
F2A Yb2A Yb1A 77.8(7) . 17_667 ?
F2A Yb2A Yb1A 77.8(7) . 2_665 ?
F2A Yb2A Yb1A 28.52(18) 19_665 17_667 ?
F2A Yb2A F2A 83.3(13) . 19_665 ?
F2A Yb2A F1A 58.5(6) 19_665 . ?
F2A Yb2A F1A 61.2(7) . 16_557 ?
F2A Yb2A F1A 61.2(7) . . ?
F2A Yb2A F1A 58.5(6) 19_665 16_557 ?
F2A Yb2A O5 117.2(6) . 10_666 ?
F2A Yb2A O5 76.5(6) . . ?
F2A Yb2A O5 76.5(6) . 16_557 ?
F2A Yb2A O5 67.6(6) 19_665 10_666 ?
F2A Yb2A O5 117.2(6) . 19_665 ?
F2A Yb2A O5 67.6(6) 19_665 19_665 ?
Yb2A Yb2A Yb1A 56.6(3) 19_665 17_667 ?
Yb2A Yb2A Yb1A 56.6(3) 19_665 2_665 ?
Yb2A Yb2A F2A 127.8(8) 19_665 . ?
Yb2A Yb2A F2A 44.5(7) 19_665 19_665 ?
Yb2A Yb2A F1A 85.6(4) 19_665 . ?
Yb2A Yb2A F1A 85.6(4) 19_665 16_557 ?
Yb2A Yb2A O5 51.3(4) 19_665 19_665 ?
Yb2A Yb2A O5 120.9(5) 19_665 . ?
Yb2A Yb2A O5 120.9(5) 19_665 16_557 ?
Yb2A Yb2A O5 51.3(4) 19_665 10_666 ?
F1A Yb2A Yb1A 80.6(8) . 17_667 ?
F1A Yb2A Yb1A 80.6(8) 16_557 2_665 ?
F1A Yb2A Yb1A 31.8(4) 16_557 17_667 ?
F1A Yb2A Yb1A 31.8(4) . 2_665 ?
F1A Yb2A F1A 95.4(16) . 16_557 ?
O5 Yb2A Yb1A 87.6(4) 16_557 17_667 ?
O5 Yb2A Yb1A 87.6(4) . 2_665 ?
O5 Yb2A Yb1A 50.2(4) 19_665 2_665 ?
O5 Yb2A Yb1A 138.5(6) . 17_667 ?
O5 Yb2A Yb1A 94.6(6) 10_666 2_665 ?
O5 Yb2A Yb1A 50.2(4) 10_666 17_667 ?
O5 Yb2A Yb1A 94.6(6) 19_665 17_667 ?
O5 Yb2A Yb1A 138.5(6) 16_557 2_665 ?
O5 Yb2A F2A 116.0(5) . 19_665 ?
O5 Yb2A F2A 116.0(5) 16_557 19_665 ?
O5 Yb2A F1A 56.0(7) 10_666 16_557 ?
O5 Yb2A F1A 137.6(9) . 16_557 ?
O5 Yb2A F1A 137.6(9) 16_557 . ?
O5 Yb2A F1A 56.0(7) 19_665 . ?
O5 Yb2A F1A 125.9(9) 10_666 . ?
O5 Yb2A F1A 58.5(7) . . ?
O5 Yb2A F1A 58.5(7) 16_557 16_557 ?
O5 Yb2A F1A 125.9(9) 19_665 16_557 ?
O5 Yb2A O5 166.3(8) . 10_666 ?
O5 Yb2A O5 69.6(6) 16_557 10_666 ?
O5 Yb2A O5 116.9(10) 16_557 . ?
O5 Yb2A O5 166.3(8) 16_557 19_665 ?
O5 Yb2A O5 69.6(6) . 19_665 ?
O5 Yb2A O5 101.6(9) 10_666 19_665 ?
Yb1A O2A Yb1A 0.0(4) 20 . ?
Yb1A F1A Yb1A 0.0(5) 20 . ?
Yb1A F1A Yb1A 131(2) . 2_665 ?
Yb1A F1A Yb1A 131(2) 20 2_665 ?
Yb1A F1A Yb2A 105.0(10) . 19_665 ?
Yb1A F1A Yb2A 105.0(10) 20 19_665 ?
Yb1A F1A Yb2A 96.8(8) . . ?
Yb1A F1A Yb2A 96.8(8) 2_665 19_665 ?
Yb1A F1A Yb2A 105.0(10) 2_665 . ?
Yb1A F1A Yb2A 96.8(8) 20 . ?
Yb2A F1A Yb2A 8.8(8) 19_665 . ?
Yb1A O6 Yb1A 0.0(2) 20 . ?
C1 O6 Yb2 140.3(15) . . ?
C1 O6 Yb1A 91.5(16) . 20 ?
C1 O6 Yb1A 91.5(16) . . ?
Yb2A O5 Yb1A 84.5(4) . 20 ?
Yb2A O5 Yb1A 86.4(4) 19_665 20 ?
Yb2A O5 Yb2A 7.8(7) . 19_665 ?
C1 O5 Yb1 124.0(16) . . ?
C1 O5 Yb1A 78.2(15) . 20 ?
C1 O5 Yb2A 126.0(16) . . ?
C1 O5 Yb2A 133.8(16) . 19_665 ?
C2 C1 Yb1A 168.4(15) . 20 ?
O6 C1 C2 115.9(18) . . ?
O6 C1 Yb1A 66.9(15) . 20 ?
O5 C1 C2 104.0(17) . . ?
O5 C1 Yb1A 81.2(15) . 20 ?
O5 C1 O6 126(2) . . ?

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 F2 F3 Yb1 127.7(6) . . . 16_557 ?
Yb1 F2 F3 Yb1 -127.7(6) 16_557 . . . ?
Yb1 F2 F3 F2 -63.8(3) 16_557 . . 19_665 ?
Yb1 F2 F3 F2 63.8(3) . . . 19_665 ?
Yb1 O5 C1 C2 165.5(9) . . . . ?
Yb1 O5 C1 O6 -57(4) . . . . ?
Yb2 F2 F3 Yb1 -116.2(3) . . . 16_557 ?
Yb2 F2 F3 Yb1 116.2(3) . . . . ?
Yb2 F2 F3 F2 180.000(0) . . . 19_665 ?
Yb2 O6 C1 C2 160.4(13) . . . . ?
Yb2 O6 C1 O5 27(6) . . . . ?
N2 N2 C8 N1 3.9(14) 7_556 . . . ?
N2 N2 C8 C5 175.1(9) 7_556 . . . ?
N2 N2 C8 C8 2.9(11) 7_556 . . 7_556 ?
C7 C2 C3 C4 0.0 . . . . ?
C7 C2 C1 Yb1A 91(5) . . . 20 ?
C7 C2 C1 O6 -167.0(17) . . . . ?
C7 C2 C1 O5 -24(3) . . . . ?
C2 C7 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C2 C1 Yb1A -69(5) . . . 20 ?
C3 C2 C1 O6 32(3) . . . . ?
C3 C2 C1 O5 174.9(16) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C3 C4 C5 C8 170.5(12) . . . . ?
C4 C5 C6 C7 0.0 . . . . ?
C4 C5 C8 N1 -179.9(14) . . . . ?
C4 C5 C8 N2 11.6(17) . . . . ?
C4 C5 C8 C8 144(7) . . . 7_556 ?
C6 C7 C2 C3 0.0 . . . . ?
C6 C7 C2 C1 -159.8(13) . . . . ?
C6 C5 C8 N1 -8(2) . . . . ?
C6 C5 C8 N2 -177.0(8) . . . . ?
C6 C5 C8 C8 -45(8) . . . 7_556 ?
C8 N1 C8 N2 -1.6(6) 7_556 . . . ?
C8 N1 C8 C5 -169(3) 7_556 . . . ?
C8 C5 C6 C7 -172.7(9) . . . . ?
Yb1A F3A F2A Yb1A 0.000(1) 20 . . . ?
Yb1A F3A F2A Yb1A 0.000(1) 11_556 . . 16_557 ?
Yb1A F3A F2A Yb1A 128.1(9) . . . 11_556 ?
Yb1A F3A F2A Yb1A 0.000(0) . . . 20 ?
Yb1A F3A F2A Yb1A -128.1(9) 11_556 . . 20 ?
Yb1A F3A F2A Yb1A 128.1(9) 20 . . 16_557 ?
Yb1A F3A F2A Yb1A 0.0 16_557 . . 11_556 ?
Yb1A F3A F2A Yb1A 128.1(9) . . . 16_557 ?
Yb1A F3A F2A Yb1A 128.1(9) 20 . . 11_556 ?
Yb1A F3A F2A Yb1A -128.1(9) 16_557 . . . ?
Yb1A F3A F2A Yb1A -128.1(9) 16_557 . . 20 ?
Yb1A F3A F2A Yb1A -128.1(9) 11_556 . . . ?
Yb1A F3A F2A Yb2A 115.9(5) 16_557 . . 19_665 ?
Yb1A F3A F2A Yb2A -115.9(5) . . . . ?
Yb1A F3A F2A Yb2A 115.9(5) 11_556 . . . ?
Yb1A F3A F2A Yb2A 115.9(5) 11_556 . . 19_665 ?
Yb1A F3A F2A Yb2A 115.9(5) 16_557 . . . ?
Yb1A F3A F2A Yb2A -115.9(5) . . . 19_665 ?
Yb1A F3A F2A Yb2A -115.9(5) 20 . . 19_665 ?
Yb1A F3A F2A Yb2A -115.9(5) 20 . . . ?
Yb1A O6 C1 C2 -167.7(17) . . . . ?
Yb1A O6 C1 C2 -167.7(17) 20 . . . ?
Yb1A O6 C1 Yb1A 0.000(5) . . . 20 ?
Yb1A O6 C1 O5 59(3) 20 . . . ?
Yb1A O6 C1 O5 59(3) . . . . ?
Yb1A O5 C1 C2 169.5(16) 20 . . . ?
Yb1A O5 C1 O6 -53(3) 20 . . . ?
F2A F3A F2A Yb1A 64.1(5) 20 . . 11_556 ?
F2A F3A F2A Yb1A 64.1(5) 20 . . 16_557 ?
F2A F3A F2A Yb1A -64.1(5) 20 . . . ?
F2A F3A F2A Yb1A -64.1(5) 20 . . 20 ?
F2A F3A F2A Yb2A 180.000(1) 20 . . 19_665 ?
F2A F3A F2A Yb2A 180.000(1) 20 . . . ?
Yb2A O5 C1 C2 -117.3(16) 19_665 . . . ?
Yb2A O5 C1 C2 -116.4(14) . . . . ?
Yb2A O5 C1 Yb1A 73(2) 19_665 . . 20 ?
Yb2A O5 C1 Yb1A 74.2(16) . . . 20 ?
Yb2A O5 C1 O6 20(5) 19_665 . . . ?
Yb2A O5 C1 O6 21(5) . . . . ?
C1 C2 C3 C4 161.3(12) . . . . ?

_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 -0.315 -0.687 -0.091 17521.3 5873.6 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
#==============================================================================
# Start Validation Reply Form
#=============================================================================
_vrf_THETM01_a                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: A full set of data was collected, however these crystals  
were small and weakly diffracting. Thus the very high angle data was 
dominated by noise because of the weak diffraction and thus was omitted.
;
