# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1898800'
loop_
_audit_author_name
_audit_author_address
'Matteo Atzori'
;National High Magnetic Fields Laboratory - CNRS
France
;
_audit_update_record             
;
2019-02-22 deposited with the CCDC.	2019-08-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H36 Cl3 N3 O18 S6 Yb2'
_chemical_formula_sum            'C33 H36 Cl3 N3 O18 S6 Yb2'
_chemical_formula_weight         1407.44

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'
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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4641(3)
_cell_length_b                   10.6052(3)
_cell_length_c                   13.0261(4)
_cell_angle_alpha                75.531(3)
_cell_angle_beta                 79.202(3)
_cell_angle_gamma                87.392(3)
_cell_volume                     1243.53(7)
_cell_formula_units_Z            1
_cell_measurement_temperature    101(1)
_cell_measurement_reflns_used    12852
_cell_measurement_theta_min      3.4720
_cell_measurement_theta_max      74.9830

_exptl_crystal_description       prismatic
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.097
_exptl_crystal_size_mid          0.062
_exptl_crystal_size_min          0.052
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_F_000             686
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_absorpt_coefficient_mu    11.152
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
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_absorpt_special_details   ?
_diffrn_ambient_temperature      101(1)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           'Cu K\a'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4839
_diffrn_reflns_number            23899
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.564
_diffrn_reflns_theta_max         75.398
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5071
_reflns_number_gt                4667
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;

_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1068P)²+7.1108P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5071
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_ref         0.1594
_refine_ls_wR_factor_gt          0.1546
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Cl1A Cl 0.6337(5) 0.7014(5) 0.5971(4) 0.0319(14) Uiso 0.475(9) 1 d . . P A 1
Cl1B Cl 0.2379(6) 0.7146(5) -0.0002(3) 0.0282(12) Uiso 0.475(9) 1 d . . P A 1
Cl1C Cl 0.9192(7) 0.9628(5) -0.2106(4) 0.0327(19) Uiso 0.475(9) 1 d . . P A 1
N1A N 0.6844(19) 0.7339(17) 0.6353(15) 0.053(4) Uiso 0.525(9) 1 d . . P A 2
C4A C 0.6533(15) 0.6706(16) 0.6062(11) 0.016(3) Uiso 0.525(9) 1 d . . P A 2
N1B N 0.1815(18) 0.7551(15) 0.0055(11) 0.037(3) Uiso 0.525(9) 1 d . . P A 2
C4B C 0.273(2) 0.6854(18) 0.0042(12) 0.028(4) Uiso 0.525(9) 1 d . . P A 2
N1C N 0.9065(14) 0.9407(13) -0.2756(11) 0.036(3) Uiso 0.525(9) 1 d . . P A 2
C4C C 0.9466(19) 0.9542(14) -0.2160(11) 0.009(4) Uiso 0.525(9) 1 d . . P A 2
S1E S 0.6050(5) 1.0030(4) 0.2203(4) 0.0429(14) Uiso 0.514(10) 1 d . . P B 1
C2E C 0.615(5) 1.004(4) 0.325(4) 0.112(12) Uiso 0.514(10) 1 d . . P B 1
H2E1 H 0.623374 1.091942 0.329990 0.168 Uiso 0.514(10) 1 calc R U P B 1
H2E2 H 0.530575 0.964522 0.373627 0.168 Uiso 0.514(10) 1 calc R U P B 1
H2E3 H 0.698510 0.955417 0.344540 0.168 Uiso 0.514(10) 1 calc R U P B 1
S1E' S 0.4983(8) 0.9471(7) 0.2505(6) 0.071(2) Uiso 0.486(10) 1 d . . P B 2
C2E' C 0.539(4) 0.967(3) 0.369(3) 0.081(8) Uiso 0.486(10) 1 d . . P B 2
H2E4 H 0.464553 1.017226 0.401541 0.122 Uiso 0.486(10) 1 calc R U P B 2
H2E5 H 0.544968 0.883140 0.417809 0.122 Uiso 0.486(10) 1 calc R U P B 2
H2E6 H 0.629119 1.011438 0.354486 0.122 Uiso 0.486(10) 1 calc R U P B 2
Yb01 Yb 0.71268(3) 0.69153(3) 0.18311(2) 0.02037(15) Uani 1 1 d . . . . .
S1D S 0.9455(2) 0.41775(18) 0.27591(15) 0.0351(4) Uani 1 1 d . . . . .
S1F S 0.8548(3) 0.3685(2) 0.5791(2) 0.0483(5) Uani 1 1 d . . . . .
O2C O 0.8228(5) 0.8035(4) 0.0116(4) 0.0229(9) Uani 1 1 d . . . . .
O1A O 0.4500(5) 0.4677(4) 0.7146(4) 0.0233(9) Uani 1 1 d . . . . .
O1C O 0.8915(5) 0.8346(4) 0.1876(4) 0.0230(9) Uani 1 1 d . . . . .
O1B O 0.7313(5) 0.5327(4) 0.0831(4) 0.0234(9) Uani 1 1 d . . . . .
O2B O 0.5213(5) 0.7005(4) 0.0880(4) 0.0236(9) Uani 1 1 d . . . . .
O2A O 0.6706(5) 0.6906(5) 0.3663(4) 0.0280(10) Uani 1 1 d . . . . .
O1D O 0.8810(6) 0.5543(5) 0.2456(5) 0.0357(12) Uani 1 1 d . . . . .
O1E O 0.5911(7) 0.8773(5) 0.1900(5) 0.0402(13) Uani 1 1 d . . . . .
C3A C 0.5645(7) 0.5901(6) 0.5462(5) 0.0211(12) Uani 1 1 d . . . . .
C3C C 0.9636(7) 0.9809(6) -0.0986(5) 0.0205(12) Uani 1 1 d . . . . .
C3B C 0.3838(7) 0.5948(6) 0.0012(5) 0.0209(12) Uani 1 1 d . . . . .
C2C C 0.9062(7) 0.8977(6) -0.0014(5) 0.0198(12) Uani 1 1 d . . . . .
C2B C 0.5037(7) 0.6097(6) 0.0466(5) 0.0217(12) Uani 1 1 d . . . . .
C1C C 0.9452(7) 0.9150(6) 0.1037(5) 0.0186(11) Uani 1 1 d . . . . .
C1B C 0.6270(7) 0.5113(6) 0.0434(5) 0.0194(11) Uani 1 1 d . . . . .
C2A C 0.5930(7) 0.6051(6) 0.4336(5) 0.0204(12) Uani 1 1 d . . . . .
O1F O 0.7443(9) 0.3193(11) 0.5273(7) 0.080(3) Uani 1 1 d . . . . .
C1A C 0.4777(7) 0.4902(6) 0.6133(5) 0.0196(12) Uani 1 1 d . . . . .
C1D C 0.8119(10) 0.3040(8) 0.2846(8) 0.0415(18) Uani 1 1 d . . . . .
H11D H 0.849941 0.217484 0.303566 0.062 Uiso 1 1 calc R U . . .
H12D H 0.731159 0.313933 0.338825 0.062 Uiso 1 1 calc R U . . .
H13D H 0.781691 0.318295 0.216292 0.062 Uiso 1 1 calc R U . . .
C2D C 1.0531(13) 0.4032(10) 0.1508(10) 0.061(3) Uani 1 1 d . . . . .
H21D H 1.099329 0.319650 0.160830 0.091 Uiso 1 1 calc R U . . .
H22D H 0.992982 0.411556 0.097797 0.091 Uiso 1 1 calc R U . . .
H23D H 1.124804 0.470593 0.126827 0.091 Uiso 1 1 calc R U . . .
C1F C 0.7956(10) 0.3117(12) 0.7189(7) 0.052(2) Uani 1 1 d . . . . .
H11F H 0.861359 0.339815 0.756564 0.077 Uiso 1 1 calc R U . . .
H12F H 0.701623 0.346083 0.738800 0.077 Uiso 1 1 calc R U . . .
H13F H 0.791344 0.218332 0.737623 0.077 Uiso 1 1 calc R U . . .
C2F C 1.0066(11) 0.2682(13) 0.5660(7) 0.062(3) Uani 1 1 d . . . . .
H21F H 1.079614 0.295839 0.597772 0.093 Uiso 1 1 calc R U . . .
H22F H 0.980321 0.179622 0.601968 0.093 Uiso 1 1 calc R U . . .
H23F H 1.042837 0.274292 0.490939 0.093 Uiso 1 1 calc R U . . .
C1E C 0.4542(12) 1.0954(12) 0.1775(12) 0.068(3) Uani 1 1 d . . . . .
H1E1 H 0.450787 1.092571 0.104885 0.102 Uiso 1 1 calc R U . B 1
H1E2 H 0.367104 1.059100 0.224204 0.102 Uiso 1 1 calc R U . B 1
H1E3 H 0.463753 1.184143 0.180351 0.102 Uiso 1 1 calc R U . B 1


_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
Cl1A C3A 1.699(7) . ?
Cl1B C3B 1.832(10) . ?
Cl1C C3C 1.648(8) . ?
N1A C4A 0.93(2) . ?
C4A C3A 1.640(14) . ?
N1B C4B 1.11(3) . ?
C4B C3B 1.39(2) . ?
N1C C4C 0.97(2) . ?
C4C C3C 1.660(15) . ?
S1E C2E 1.39(4) . ?
S1E O1E 1.500(7) . ?
S1E C1E 1.792(12) . ?
C2E H2E1 0.9600 . ?
C2E H2E2 0.9600 . ?
C2E H2E3 0.9600 . ?
S1E' O1E 1.383(9) . ?
S1E' C1E 1.701(14) . ?
S1E' C2E' 1.72(3) . ?
C2E' H2E4 0.9600 . ?
C2E' H2E5 0.9600 . ?
C2E' H2E6 0.9600 . ?
Yb01 O1D 2.236(5) . ?
Yb01 O1E 2.248(5) . ?
Yb01 O1A 2.311(5) 2_666 ?
Yb01 O2C 2.324(5) . ?
Yb01 O2A 2.342(5) . ?
Yb01 O1C 2.342(4) . ?
Yb01 O1B 2.356(4) . ?
Yb01 O2B 2.364(5) . ?
Yb01 C1C 3.150(6) . ?
Yb01 C1A 3.156(7) 2_666 ?
Yb01 C2A 3.160(6) . ?
Yb01 C2C 3.162(7) . ?
S1D O1D 1.533(5) . ?
S1D C1D 1.756(9) . ?
S1D C2D 1.790(10) . ?
S1F O1F 1.521(8) . ?
S1F C2F 1.756(10) . ?
S1F C1F 1.758(10) . ?
O2C C2C 1.260(8) . ?
O1A C1A 1.259(8) . ?
O1C C1C 1.243(8) . ?
O1B C1B 1.250(8) . ?
O2B C2B 1.246(8) . ?
O2A C2A 1.246(8) . ?
C3A C1A 1.381(9) . ?
C3A C2A 1.410(9) . ?
C3C C2C 1.380(9) . ?
C3C C1C 1.414(8) 2_775 ?
C3B C1B 1.405(8) 2_665 ?
C3B C2B 1.406(9) . ?
C2C C1C 1.538(8) . ?
C2B C1B 1.531(9) . ?
C2A C1A 1.539(8) 2_666 ?
C1D H11D 0.9600 . ?
C1D H12D 0.9600 . ?
C1D H13D 0.9600 . ?
C2D H21D 0.9600 . ?
C2D H22D 0.9600 . ?
C2D H23D 0.9600 . ?
C1F H11F 0.9600 . ?
C1F H12F 0.9600 . ?
C1F H13F 0.9600 . ?
C2F H21F 0.9600 . ?
C2F H22F 0.9600 . ?
C2F H23F 0.9600 . ?
C1E H1E1 0.9600 . ?
C1E H1E2 0.9600 . ?
C1E H1E3 0.9600 . ?

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
N1A C4A C3A 164(2) . . ?
N1B C4B C3B 177.5(15) . . ?
N1C C4C C3C 162.8(19) . . ?
C2E S1E O1E 120.8(19) . . ?
C2E S1E C1E 111.9(19) . . ?
O1E S1E C1E 103.1(6) . . ?
S1E C2E H2E1 109.5 . . ?
S1E C2E H2E2 109.5 . . ?
H2E1 C2E H2E2 109.5 . . ?
S1E C2E H2E3 109.5 . . ?
H2E1 C2E H2E3 109.5 . . ?
H2E2 C2E H2E3 109.5 . . ?
O1E S1E' C1E 113.4(7) . . ?
O1E S1E' C2E' 119.4(13) . . ?
C1E S1E' C2E' 108.0(13) . . ?
S1E' C2E' H2E4 109.5 . . ?
S1E' C2E' H2E5 109.5 . . ?
H2E4 C2E' H2E5 109.5 . . ?
S1E' C2E' H2E6 109.5 . . ?
H2E4 C2E' H2E6 109.5 . . ?
H2E5 C2E' H2E6 109.5 . . ?
O1D Yb01 O1E 146.4(2) . . ?
O1D Yb01 O1A 85.52(19) . 2_666 ?
O1E Yb01 O1A 103.1(2) . 2_666 ?
O1D Yb01 O2C 104.8(2) . . ?
O1E Yb01 O2C 85.7(2) . . ?
O1A Yb01 O2C 147.04(15) 2_666 . ?
O1D Yb01 O2A 77.5(2) . . ?
O1E Yb01 O2A 76.0(2) . . ?
O1A Yb01 O2A 67.83(16) 2_666 . ?
O2C Yb01 O2A 144.55(16) . . ?
O1D Yb01 O1C 77.90(18) . . ?
O1E Yb01 O1C 76.9(2) . . ?
O1A Yb01 O1C 145.13(16) 2_666 . ?
O2C Yb01 O1C 67.63(15) . . ?
O2A Yb01 O1C 78.66(16) . . ?
O1D Yb01 O1B 75.65(18) . . ?
O1E Yb01 O1B 137.90(19) . . ?
O1A Yb01 O1B 75.62(16) 2_666 . ?
O2C Yb01 O1B 76.82(16) . . ?
O2A Yb01 O1B 135.82(17) . . ?
O1C Yb01 O1B 127.80(16) . . ?
O1D Yb01 O2B 140.53(17) . . ?
O1E Yb01 O2B 72.24(18) . . ?
O1A Yb01 O2B 73.30(16) 2_666 . ?
O2C Yb01 O2B 79.57(16) . . ?
O2A Yb01 O2B 121.50(17) . . ?
O1C Yb01 O2B 136.14(16) . . ?
O1B Yb01 O2B 67.12(16) . . ?
O1D Yb01 C1C 88.98(18) . . ?
O1E Yb01 C1C 74.3(2) . . ?
O1A Yb01 C1C 164.93(15) 2_666 . ?
O2C Yb01 C1C 48.03(15) . . ?
O2A Yb01 C1C 97.29(16) . . ?
O1C Yb01 C1C 20.03(16) . . ?
O1B Yb01 C1C 116.52(16) . . ?
O2B Yb01 C1C 118.74(16) . . ?
O1D Yb01 C1A 79.9(2) . 2_666 ?
O1E Yb01 C1A 97.2(2) . 2_666 ?
O1A Yb01 C1A 19.89(16) 2_666 2_666 ?
O2C Yb01 C1A 166.87(15) . 2_666 ?
O2A Yb01 C1A 48.06(16) . 2_666 ?
O1C Yb01 C1A 125.50(15) . 2_666 ?
O1B Yb01 C1A 92.81(16) . 2_666 ?
O2B Yb01 C1A 89.04(16) . 2_666 ?
C1C Yb01 C1A 145.06(15) . 2_666 ?
O1D Yb01 C2A 76.7(2) . . ?
O1E Yb01 C2A 85.1(2) . . ?
O1A Yb01 C2A 48.04(15) 2_666 . ?
O2C Yb01 C2A 164.35(15) . . ?
O2A Yb01 C2A 19.88(16) . . ?
O1C Yb01 C2A 97.90(15) . . ?
O1B Yb01 C2A 118.21(16) . . ?
O2B Yb01 C2A 109.48(16) . . ?
C1C Yb01 C2A 116.99(15) . . ?
C1A Yb01 C2A 28.20(14) 2_666 . ?
O1D Yb01 C2C 100.6(2) . . ?
O1E Yb01 C2C 78.3(2) . . ?
O1A Yb01 C2C 166.81(16) 2_666 . ?
O2C Yb01 C2C 19.98(16) . . ?
O2A Yb01 C2C 124.73(16) . . ?
O1C Yb01 C2C 48.06(15) . . ?
O1B Yb01 C2C 94.46(16) . . ?
O2B Yb01 C2C 94.97(16) . . ?
C1C Yb01 C2C 28.20(15) . . ?
C1A Yb01 C2C 172.62(16) 2_666 . ?
C2A Yb01 C2C 144.60(15) . . ?
O1D S1D C1D 107.9(4) . . ?
O1D S1D C2D 102.5(4) . . ?
C1D S1D C2D 98.0(5) . . ?
O1F S1F C2F 106.6(6) . . ?
O1F S1F C1F 105.4(6) . . ?
C2F S1F C1F 98.2(5) . . ?
C2C O2C Yb01 121.0(4) . . ?
C1A O1A Yb01 121.5(4) . 2_666 ?
C1C O1C Yb01 119.8(4) . . ?
C1B O1B Yb01 119.9(4) . . ?
C2B O2B Yb01 119.8(4) . . ?
C2A O2A Yb01 120.4(4) . . ?
S1D O1D Yb01 152.1(3) . . ?
S1E' O1E Yb01 148.2(5) . . ?
S1E O1E Yb01 140.3(4) . . ?
C1A C3A C2A 120.9(5) . . ?
C1A C3A C4A 115.8(7) . . ?
C2A C3A C4A 122.4(7) . . ?
C1A C3A Cl1A 120.7(5) . . ?
C2A C3A Cl1A 118.4(5) . . ?
C2C C3C C1C 121.3(6) . 2_775 ?
C2C C3C Cl1C 119.5(5) . . ?
C1C C3C Cl1C 119.2(5) 2_775 . ?
C2C C3C C4C 122.2(7) . . ?
C1C C3C C4C 116.1(7) 2_775 . ?
C4B C3B C2B 118.6(8) . . ?
C1B C3B C2B 121.1(6) 2_665 . ?
C1B C3B Cl1B 118.8(5) 2_665 . ?
C2B C3B Cl1B 120.1(5) . . ?
O2C C2C C3C 126.1(6) . . ?
O2C C2C C1C 114.1(6) . . ?
C3C C2C C1C 119.8(6) . . ?
O2C C2C Yb01 39.1(3) . . ?
C3C C2C Yb01 164.0(4) . . ?
C1C C2C Yb01 75.5(3) . . ?
O2B C2B C3B 125.1(6) . . ?
O2B C2B C1B 115.5(6) . . ?
C3B C2B C1B 119.3(5) . . ?
O2B C2B Yb01 40.3(3) . . ?
C3B C2B Yb01 163.9(5) . . ?
C1B C2B Yb01 75.9(3) . . ?
O1C C1C C3C 125.2(6) . 2_775 ?
O1C C1C C2C 116.0(5) . . ?
C3C C1C C2C 118.8(6) 2_775 . ?
O1C C1C Yb01 40.2(3) . . ?
C3C C1C Yb01 163.5(4) 2_775 . ?
C2C C1C Yb01 76.3(3) . . ?
O1B C1B C3B 124.8(6) . 2_665 ?
O1B C1B C2B 115.7(5) . . ?
C3B C1B C2B 119.5(6) 2_665 . ?
O1B C1B Yb01 40.1(3) . . ?
C3B C1B Yb01 162.7(5) 2_665 . ?
C2B C1B Yb01 76.2(3) . . ?
O2A C2A C3A 126.0(6) . . ?
O2A C2A C1A 115.4(6) . 2_666 ?
C3A C2A C1A 118.5(6) . 2_666 ?
O2A C2A Yb01 39.7(3) . . ?
C3A C2A Yb01 165.6(4) . . ?
C1A C2A Yb01 75.8(4) 2_666 . ?
O1A C1A C3A 124.9(6) . . ?
O1A C1A C2A 114.5(6) . 2_666 ?
C3A C1A C2A 120.6(6) . 2_666 ?
O1A C1A Yb01 38.6(3) . 2_666 ?
C3A C1A Yb01 163.1(4) . 2_666 ?
C2A C1A Yb01 76.0(3) 2_666 2_666 ?
S1D C1D H11D 109.5 . . ?
S1D C1D H12D 109.5 . . ?
H11D C1D H12D 109.5 . . ?
S1D C1D H13D 109.5 . . ?
H11D C1D H13D 109.5 . . ?
H12D C1D H13D 109.5 . . ?
S1D C2D H21D 109.5 . . ?
S1D C2D H22D 109.5 . . ?
H21D C2D H22D 109.5 . . ?
S1D C2D H23D 109.5 . . ?
H21D C2D H23D 109.5 . . ?
H22D C2D H23D 109.5 . . ?
S1F C1F H11F 109.5 . . ?
S1F C1F H12F 109.5 . . ?
H11F C1F H12F 109.5 . . ?
S1F C1F H13F 109.5 . . ?
H11F C1F H13F 109.5 . . ?
H12F C1F H13F 109.5 . . ?
S1F C2F H21F 109.5 . . ?
S1F C2F H22F 109.5 . . ?
H21F C2F H22F 109.5 . . ?
S1F C2F H23F 109.5 . . ?
H21F C2F H23F 109.5 . . ?
H22F C2F H23F 109.5 . . ?
S1E C1E H1E1 109.5 . . ?
S1E C1E H1E2 109.5 . . ?
H1E1 C1E H1E2 109.5 . . ?
S1E C1E H1E3 109.5 . . ?
H1E1 C1E H1E3 109.5 . . ?
H1E2 C1E H1E3 109.5 . . ?

_refine_diff_density_max         5.158
_refine_diff_density_min         -1.721
_refine_diff_density_rms         0.228


_exptl_crystal_preparation       Luminescent
