# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_HNU-49
_database_code_depnum_ccdc_archive 'CCDC 2031930'
loop_
_audit_author_name
_audit_author_address
'meiling '
;Hainan university
China
;
_audit_update_record             
;
2020-12-02 deposited with the CCDC.	2020-12-26 downloaded from the CCDC.
;
_audit_creation_date             2020-12-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C64 H38 O22 Tb3'
_chemical_formula_sum            'C64 H38 O22 Tb3'
_chemical_formula_weight         1635.7
_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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1251(4)
_cell_length_b                   11.5573(4)
_cell_length_c                   14.9248(5)
_cell_angle_alpha                68.629(2)
_cell_angle_beta                 78.582(2)
_cell_angle_gamma                61.274(2)
_cell_volume                     1566.48(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      74.92
_cell_measurement_theta_min      3.18
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    17.017
_exptl_absorpt_correction_T_max  0.0872
_exptl_absorpt_correction_T_min  0.0078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1360 before and 0.0897 after correction.
The Ratio of minimum to maximum transmission is 0.0894.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            buff
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             793
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0991
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            55184
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.081
_diffrn_reflns_theta_min         3.181
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_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           1.0
_diffrn_source_power             0.05
_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                4537
_reflns_number_total             6153
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2013/2 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.128
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.248
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         6153
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.1193
_refine_ls_R_factor_gt           0.0971
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1862P)²+8.2596P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2691
_refine_ls_wR_factor_ref         0.2936
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O9-C01A
 1.22 with sigma of 0.02
 O3-C017
 1.28 with sigma of 0.02
 C017-C013
 1.45 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Tb2 \\sim O4 \\sim O5: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 3.8A
Tb1 \\sim O7 \\sim O8: within 3.8A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 3.8A
Uanis(C01D) \\sim Ueq, Uanis(C01A) \\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(O8)
\\sim Ueq, Uanis(O7) \\sim Ueq: with sigma of 0.003 and sigma for terminal
atoms of 0.006
Uanis(C017) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00H(H00H), C00L(H00L), C00N(H00N), C00P(H00P), C00Q(H00Q),
 C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W),
 C00Y(H00Y), C00Z(H00Z), C012(H012), C014(H014)
4.b Idealised Me refined as rotating group:
 C01D(H01A,H01B,H01C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Tb1 Tb 0.0000 0.5000 1.0000 0.0497(3) Uani 1 2 d S U P A .
Tb2 Tb 0.90539(8) 0.21047(8) 0.99621(5) 0.0613(3) Uani 1 1 d . U . . .
O10 O 0.1808(10) 0.8413(11) 0.1070(6) 0.070(2) Uani 1 1 d . . . . .
O11 O 0.0440(11) 1.0497(12) 0.1265(7) 0.070(2) Uani 1 1 d . . . . .
O6 O 0.1414(10) 0.6470(9) 0.9098(6) 0.064(2) Uani 1 1 d . . . . .
O1 O 0.7625(15) 1.1180(15) 0.0991(7) 0.093(4) Uani 1 1 d . . . . .
O9 O 0.1119(14) 0.2597(12) 1.0106(11) 0.112(5) Uani 1 1 d D . . . .
O2 O 0.9091(11) 0.9084(15) 0.0873(8) 0.089(3) Uani 1 1 d . . . . .
C009 C 0.6337(12) 0.8060(13) 0.3885(7) 0.050(2) Uani 1 1 d . . . . .
C00A C 0.3677(15) 0.8023(15) 0.3991(8) 0.061(3) Uani 1 1 d . . . . .
C00B C 0.4455(15) 0.7541(14) 0.4875(9) 0.062(3) Uani 1 1 d . . . . .
C00C C 0.5609(13) 0.9423(13) 0.3327(9) 0.055(3) Uani 1 1 d . . . . .
H00C H 0.4709 0.9968 0.3528 0.066 Uiso 1 1 calc R U . . .
C00D C 0.6564(15) 0.6838(13) 0.5684(9) 0.059(3) Uani 1 1 d . . . . .
C00E C 0.1420(18) 0.9304(17) 0.1491(10) 0.070(4) Uani 1 1 d . . . . .
O5 O 0.6676(12) 0.3872(13) 0.9692(10) 0.093(3) Uani 1 1 d . U . . .
C00G C 0.3733(14) 0.7151(14) 0.5788(8) 0.060(3) Uani 1 1 d . . . . .
C00H C 0.6169(14) 1.0002(13) 0.2485(9) 0.058(3) Uani 1 1 d . . . . .
H00H H 0.5660 1.0943 0.2113 0.069 Uiso 1 1 calc R U . . .
C00I C 0.5708(15) 0.7476(13) 0.4813(8) 0.060(3) Uani 1 1 d . . . . .
O4 O 0.9111(13) 0.4033(15) 0.8791(9) 0.114(4) Uani 1 1 d . U . . .
C00K C 0.2235(14) 0.8850(14) 0.2359(8) 0.058(3) Uani 1 1 d . . . . .
C00L C 0.4262(15) 0.7386(15) 0.3295(9) 0.062(3) Uani 1 1 d . . . . .
H00L H 0.5180 0.6673 0.3356 0.074 Uiso 1 1 calc R U . . .
C00M C 0.7476(12) 0.9213(14) 0.2178(8) 0.055(3) Uani 1 1 d . . . . .
C00N C 0.6827(17) 0.5522(14) 0.6310(11) 0.073(4) Uani 1 1 d . . . . .
H00N H 0.6510 0.4978 0.6170 0.088 Uiso 1 1 calc R U . . .
C00O C 0.8126(16) 0.9826(19) 0.1289(10) 0.070(4) Uani 1 1 d . . . . .
C00P C 0.2359(16) 0.9101(17) 0.3874(11) 0.073(4) Uani 1 1 d . . . . .
H00P H 0.1945 0.9543 0.4356 0.088 Uiso 1 1 calc R U . . .
C00Q C 0.8209(13) 0.7857(16) 0.2731(10) 0.065(3) Uani 1 1 d . . . . .
H00Q H 0.9105 0.7313 0.2524 0.078 Uiso 1 1 calc R U . . .
C00R C 0.3094(15) 0.6340(15) 0.5914(9) 0.064(3) Uani 1 1 d . . . . .
H00R H 0.3105 0.6048 0.5393 0.077 Uiso 1 1 calc R U . . .
C00S C 0.3510(16) 0.7785(15) 0.2488(9) 0.065(3) Uani 1 1 d . . . . .
H00S H 0.3905 0.7297 0.2029 0.078 Uiso 1 1 calc R U . . .
C00T C 0.7662(13) 0.7284(14) 0.3574(10) 0.061(3) Uani 1 1 d . . . . .
H00T H 0.8185 0.6351 0.3952 0.073 Uiso 1 1 calc R U . . .
C00U C 0.2951(16) 0.7262(16) 0.7418(10) 0.070(4) Uani 1 1 d . . . . .
H00U H 0.2890 0.7611 0.7920 0.084 Uiso 1 1 calc R U . . .
C00V C 0.1619(17) 0.9550(15) 0.3041(10) 0.068(3) Uani 1 1 d . . . . .
H00V H 0.0727 1.0309 0.2950 0.082 Uiso 1 1 calc R U . . .
C00W C 0.3608(18) 0.7636(18) 0.6545(11) 0.078(4) Uani 1 1 d . . . . .
H00W H 0.3989 0.8250 0.6462 0.094 Uiso 1 1 calc R U . . .
C00X C 0.2394(15) 0.6383(15) 0.7542(9) 0.066(3) Uani 1 1 d . . . . .
C00Y C 0.7078(17) 0.7600(14) 0.5906(10) 0.069(4) Uani 1 1 d . . . . .
H00Y H 0.6970 0.8476 0.5465 0.083 Uiso 1 1 calc R U . . .
C00Z C 0.754(2) 0.4993(15) 0.7139(10) 0.085(5) Uani 1 1 d . . . . .
H00Z H 0.7762 0.4068 0.7539 0.102 Uiso 1 1 calc R U . . .
C011 C 0.164(2) 0.5995(18) 0.8433(11) 0.087(5) Uani 1 1 d . . . . .
C012 C 0.7727(19) 0.7093(15) 0.6746(11) 0.083(5) Uani 1 1 d . . . . .
H012 H 0.8031 0.7646 0.6888 0.099 Uiso 1 1 calc R U . . .
C013 C 0.7960(19) 0.5795(16) 0.7403(11) 0.087(5) Uani 1 1 d D . . . .
C014 C 0.2438(17) 0.5930(17) 0.6762(10) 0.074(4) Uani 1 1 d . . . . .
H014 H 0.2020 0.5353 0.6827 0.089 Uiso 1 1 calc R U . . .
O3 O 0.900(2) 0.621(2) 0.8427(18) 0.175(8) Uani 1 1 d D U . . .
C017 C 0.862(2) 0.533(2) 0.8326(15) 0.117(7) Uani 1 1 d D U . . .
C01A C 0.227(2) 0.237(3) 0.9971(18) 0.117(7) Uani 1 1 d D U . . .
C01D C 0.363(4) 0.153(4) 0.948(3) 0.200(16) Uani 1 1 d . U . . .
H01A H 0.3787 0.2142 0.8870 0.301 Uiso 1 1 calc R U . . .
H01B H 0.3559 0.0777 0.9370 0.301 Uiso 1 1 calc R U . . .
H01C H 0.4395 0.1125 0.9908 0.301 Uiso 1 1 calc R U . . .
O8 O 0.2401(15) 0.3419(16) 0.9980(11) 0.108(3) Uani 1 1 d . U . A 2
O7 O 0.1846(15) 0.4647(16) 0.8771(11) 0.111(3) Uani 1 1 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
Tb1 O6 2.690(9) . ?
Tb1 O6 2.690(9) 2_567 ?
Tb1 O9 2.392(11) 2_567 ?
Tb1 O9 2.392(11) . ?
Tb1 O3 2.42(2) 2_667 ?
Tb1 O3 2.42(2) 1_455 ?
Tb1 C01A 2.88(2) 2_567 ?
Tb1 C01A 2.88(2) . ?
Tb1 O8 2.406(15) . ?
Tb1 O8 2.406(15) 2_567 ?
Tb1 O7 2.449(15) 2_567 ?
Tb1 O7 2.449(15) . ?
Tb2 Tb1 3.9818(7) 1_655 ?
Tb2 O10 2.336(9) 2_666 ?
Tb2 O11 2.326(10) 1_646 ?
Tb2 O6 2.351(9) 2_667 ?
Tb2 O1 2.345(10) 1_546 ?
Tb2 O9 2.681(14) 1_655 ?
Tb2 O2 2.282(10) 2_766 ?
Tb2 O5 2.441(12) . ?
Tb2 O4 2.298(13) . ?
O10 Tb2 2.336(9) 2_666 ?
O10 C00E 1.256(17) . ?
O11 Tb2 2.326(10) 1_464 ?
O11 C00E 1.251(19) . ?
O6 Tb2 2.351(9) 2_667 ?
O6 C011 1.231(16) . ?
O1 Tb2 2.345(10) 1_564 ?
O1 C00O 1.31(2) . ?
O9 Tb2 2.681(14) 1_455 ?
O9 C01A 1.169(16) . ?
O2 Tb2 2.282(10) 2_766 ?
O2 C00O 1.229(18) . ?
C009 C00C 1.384(17) . ?
C009 C00I 1.500(15) . ?
C009 C00T 1.398(18) . ?
C00A C00B 1.501(18) . ?
C00A C00L 1.369(17) . ?
C00A C00P 1.39(2) . ?
C00B C00G 1.474(17) . ?
C00B C00I 1.346(19) . ?
C00C H00C 0.9500 . ?
C00C C00H 1.376(17) . ?
C00D C00I 1.502(18) . ?
C00D C00N 1.385(18) . ?
C00D C00Y 1.408(18) . ?
C00E C00K 1.514(19) . ?
C00G C00R 1.371(18) . ?
C00G C00W 1.391(18) . ?
C00H H00H 0.9500 . ?
C00H C00M 1.387(18) . ?
O4 C017 1.27(2) . ?
C00K C00S 1.35(2) . ?
C00K C00V 1.397(18) . ?
C00L H00L 0.9500 . ?
C00L C00S 1.41(2) . ?
C00M C00O 1.488(17) . ?
C00M C00Q 1.38(2) . ?
C00N H00N 0.9500 . ?
C00N C00Z 1.38(2) . ?
C00P H00P 0.9500 . ?
C00P C00V 1.42(2) . ?
C00Q H00Q 0.9500 . ?
C00Q C00T 1.37(2) . ?
C00R H00R 0.9500 . ?
C00R C014 1.374(18) . ?
C00S H00S 0.9500 . ?
C00T H00T 0.9500 . ?
C00U H00U 0.9500 . ?
C00U C00W 1.391(19) . ?
C00U C00X 1.369(19) . ?
C00V H00V 0.9500 . ?
C00W H00W 0.9500 . ?
C00X C011 1.468(18) . ?
C00X C014 1.423(18) . ?
C00Y H00Y 0.9500 . ?
C00Y C012 1.361(19) . ?
C00Z H00Z 0.9500 . ?
C00Z C013 1.41(3) . ?
C011 O7 1.37(2) . ?
C012 H012 0.9500 . ?
C012 C013 1.39(2) . ?
C013 C017 1.485(17) . ?
C014 H014 0.9500 . ?
O3 Tb1 2.42(2) 1_655 ?
O3 C017 1.337(17) . ?
C017 Tb1 3.001(18) 1_655 ?
C01A C01D 1.56(4) . ?
C01A O8 1.29(3) . ?
C01D H01A 0.9800 . ?
C01D H01B 0.9800 . ?
C01D H01C 0.9800 . ?

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
O6 Tb1 O6 180.0 2_567 . ?
O6 Tb1 C01A 94.4(5) . . ?
O6 Tb1 C01A 94.4(5) 2_567 2_567 ?
O6 Tb1 C01A 85.6(5) 2_567 . ?
O6 Tb1 C01A 85.6(5) . 2_567 ?
O9 Tb1 O6 63.4(3) 2_567 . ?
O9 Tb1 O6 63.4(3) . 2_567 ?
O9 Tb1 O6 116.6(3) 2_567 2_567 ?
O9 Tb1 O6 116.6(3) . . ?
O9 Tb1 O9 180.0 2_567 . ?
O9 Tb1 O3 75.3(7) 2_567 1_455 ?
O9 Tb1 O3 75.3(7) . 2_667 ?
O9 Tb1 O3 104.7(7) . 1_455 ?
O9 Tb1 O3 104.7(7) 2_567 2_667 ?
O9 Tb1 C01A 156.7(4) . 2_567 ?
O9 Tb1 C01A 23.3(4) . . ?
O9 Tb1 C01A 156.7(4) 2_567 . ?
O9 Tb1 C01A 23.3(4) 2_567 2_567 ?
O9 Tb1 O8 130.5(5) 2_567 . ?
O9 Tb1 O8 130.5(5) . 2_567 ?
O9 Tb1 O8 49.5(5) 2_567 2_567 ?
O9 Tb1 O8 49.5(5) . . ?
O9 Tb1 O7 108.5(5) 2_567 . ?
O9 Tb1 O7 108.5(5) . 2_567 ?
O9 Tb1 O7 71.5(4) 2_567 2_567 ?
O9 Tb1 O7 71.5(4) . . ?
O3 Tb1 O6 78.0(6) 2_667 2_567 ?
O3 Tb1 O6 102.0(6) 1_455 2_567 ?
O3 Tb1 O6 78.0(6) 1_455 . ?
O3 Tb1 O6 102.0(6) 2_667 . ?
O3 Tb1 O3 180.0 2_667 1_455 ?
O3 Tb1 C01A 71.4(8) 1_455 2_567 ?
O3 Tb1 C01A 108.6(8) 2_667 2_567 ?
O3 Tb1 C01A 108.6(8) 1_455 . ?
O3 Tb1 C01A 71.4(8) 2_667 . ?
O3 Tb1 O7 108.8(7) 2_667 . ?
O3 Tb1 O7 71.2(7) 2_667 2_567 ?
O3 Tb1 O7 108.8(7) 1_455 2_567 ?
O3 Tb1 O7 71.2(7) 1_455 . ?
C01A Tb1 C01A 180.0(9) . 2_567 ?
O8 Tb1 O6 71.1(4) 2_567 2_567 ?
O8 Tb1 O6 108.9(4) . 2_567 ?
O8 Tb1 O6 71.1(4) . . ?
O8 Tb1 O6 108.9(4) 2_567 . ?
O8 Tb1 O3 65.9(7) . 2_667 ?
O8 Tb1 O3 65.9(7) 2_567 1_455 ?
O8 Tb1 O3 114.1(7) 2_567 2_667 ?
O8 Tb1 O3 114.1(7) . 1_455 ?
O8 Tb1 C01A 153.6(5) 2_567 . ?
O8 Tb1 C01A 26.4(5) . . ?
O8 Tb1 C01A 26.4(5) 2_567 2_567 ?
O8 Tb1 C01A 153.6(5) . 2_567 ?
O8 Tb1 O8 180.0(5) . 2_567 ?
O8 Tb1 O7 135.5(5) . 2_567 ?
O8 Tb1 O7 44.5(5) . . ?
O8 Tb1 O7 44.5(5) 2_567 2_567 ?
O8 Tb1 O7 135.5(5) 2_567 . ?
O7 Tb1 O6 49.0(4) . . ?
O7 Tb1 O6 49.0(4) 2_567 2_567 ?
O7 Tb1 O6 131.0(4) 2_567 . ?
O7 Tb1 O6 131.0(4) . 2_567 ?
O7 Tb1 C01A 125.7(6) . 2_567 ?
O7 Tb1 C01A 54.3(6) . . ?
O7 Tb1 C01A 125.7(6) 2_567 . ?
O7 Tb1 C01A 54.3(6) 2_567 2_567 ?
O7 Tb1 O7 180.0(8) . 2_567 ?
O10 Tb2 Tb1 140.4(3) 2_666 1_655 ?
O10 Tb2 O6 146.8(4) 2_666 2_667 ?
O10 Tb2 O1 77.3(3) 2_666 1_546 ?
O10 Tb2 O9 141.5(4) 2_666 1_655 ?
O10 Tb2 O5 73.9(4) 2_666 . ?
O11 Tb2 Tb1 91.2(2) 1_646 1_655 ?
O11 Tb2 O10 125.7(4) 1_646 2_666 ?
O11 Tb2 O6 79.5(3) 1_646 2_667 ?
O11 Tb2 O1 77.2(4) 1_646 1_546 ?
O11 Tb2 O9 66.5(4) 1_646 1_655 ?
O11 Tb2 O5 137.7(4) 1_646 . ?
O6 Tb2 Tb1 40.9(2) 2_667 1_655 ?
O6 Tb2 O9 64.1(4) 2_667 1_655 ?
O6 Tb2 O5 73.0(4) 2_667 . ?
O1 Tb2 Tb1 130.9(3) 1_546 1_655 ?
O1 Tb2 O6 89.9(4) 1_546 2_667 ?
O1 Tb2 O9 138.1(4) 1_546 1_655 ?
O1 Tb2 O5 71.4(5) 1_546 . ?
O9 Tb2 Tb1 35.8(2) 1_655 1_655 ?
O2 Tb2 Tb1 100.5(3) 2_766 1_655 ?
O2 Tb2 O10 74.2(3) 2_766 2_666 ?
O2 Tb2 O11 82.1(4) 2_766 1_646 ?
O2 Tb2 O6 136.0(4) 2_766 2_667 ?
O2 Tb2 O1 124.1(5) 2_766 1_546 ?
O2 Tb2 O9 71.9(4) 2_766 1_655 ?
O2 Tb2 O5 139.4(4) 2_766 . ?
O2 Tb2 O4 84.0(5) 2_766 . ?
O5 Tb2 Tb1 88.6(3) . 1_655 ?
O5 Tb2 O9 124.3(4) . 1_655 ?
O4 Tb2 Tb1 47.3(5) . 1_655 ?
O4 Tb2 O10 93.2(5) . 2_666 ?
O4 Tb2 O11 132.3(5) . 1_646 ?
O4 Tb2 O6 79.7(5) . 2_667 ?
O4 Tb2 O1 144.8(5) . 1_546 ?
O4 Tb2 O9 65.7(5) . 1_655 ?
O4 Tb2 O5 73.4(4) . . ?
C00E O10 Tb2 139.2(10) . 2_666 ?
C00E O11 Tb2 139.7(9) . 1_464 ?
Tb2 O6 Tb1 104.2(3) 2_667 . ?
C011 O6 Tb1 87.8(8) . . ?
C011 O6 Tb2 165.1(10) . 2_667 ?
C00O O1 Tb2 116.3(10) . 1_564 ?
Tb1 O9 Tb2 103.3(5) . 1_455 ?
C01A O9 Tb1 102.4(14) . . ?
C01A O9 Tb2 150.0(16) . 1_455 ?
C00O O2 Tb2 173.9(11) . 2_766 ?
C00C C009 C00I 119.6(11) . . ?
C00C C009 C00T 118.3(11) . . ?
C00T C009 C00I 122.1(11) . . ?
C00L C00A C00B 120.0(14) . . ?
C00L C00A C00P 119.2(13) . . ?
C00P C00A C00B 120.7(12) . . ?
C00G C00B C00A 114.3(11) . . ?
C00I C00B C00A 121.4(11) . . ?
C00I C00B C00G 124.3(12) . . ?
C009 C00C H00C 119.5 . . ?
C00H C00C C009 121.1(12) . . ?
C00H C00C H00C 119.5 . . ?
C00N C00D C00I 121.8(12) . . ?
C00N C00D C00Y 118.0(13) . . ?
C00Y C00D C00I 120.2(11) . . ?
O10 C00E C00K 115.1(15) . . ?
O11 C00E O10 126.6(14) . . ?
O11 C00E C00K 118.3(12) . . ?
C00R C00G C00B 121.3(11) . . ?
C00R C00G C00W 116.6(12) . . ?
C00W C00G C00B 122.0(12) . . ?
C00C C00H H00H 120.0 . . ?
C00C C00H C00M 120.0(12) . . ?
C00M C00H H00H 120.0 . . ?
C009 C00I C00D 115.2(11) . . ?
C00B C00I C009 123.0(11) . . ?
C00B C00I C00D 121.8(11) . . ?
C017 O4 Tb2 154.3(14) . . ?
C00S C00K C00E 121.5(12) . . ?
C00S C00K C00V 120.5(12) . . ?
C00V C00K C00E 118.0(13) . . ?
C00A C00L H00L 119.8 . . ?
C00A C00L C00S 120.3(14) . . ?
C00S C00L H00L 119.8 . . ?
C00H C00M C00O 121.1(13) . . ?
C00Q C00M C00H 119.3(11) . . ?
C00Q C00M C00O 119.5(12) . . ?
C00D C00N H00N 119.7 . . ?
C00Z C00N C00D 120.6(14) . . ?
C00Z C00N H00N 119.7 . . ?
O1 C00O C00M 116.2(12) . . ?
O2 C00O O1 122.7(13) . . ?
O2 C00O C00M 121.0(15) . . ?
C00A C00P H00P 119.6 . . ?
C00A C00P C00V 120.7(13) . . ?
C00V C00P H00P 119.6 . . ?
C00M C00Q H00Q 119.6 . . ?
C00T C00Q C00M 120.8(12) . . ?
C00T C00Q H00Q 119.6 . . ?
C00G C00R H00R 118.6 . . ?
C00G C00R C014 122.8(12) . . ?
C014 C00R H00R 118.6 . . ?
C00K C00S C00L 120.8(12) . . ?
C00K C00S H00S 119.6 . . ?
C00L C00S H00S 119.6 . . ?
C009 C00T H00T 119.8 . . ?
C00Q C00T C009 120.5(12) . . ?
C00Q C00T H00T 119.8 . . ?
C00W C00U H00U 120.5 . . ?
C00X C00U H00U 120.5 . . ?
C00X C00U C00W 118.9(12) . . ?
C00K C00V C00P 118.4(14) . . ?
C00K C00V H00V 120.8 . . ?
C00P C00V H00V 120.8 . . ?
C00G C00W H00W 118.5 . . ?
C00U C00W C00G 122.9(13) . . ?
C00U C00W H00W 118.5 . . ?
C00U C00X C011 121.4(12) . . ?
C00U C00X C014 119.5(12) . . ?
C014 C00X C011 118.9(13) . . ?
C00D C00Y H00Y 119.7 . . ?
C012 C00Y C00D 120.7(13) . . ?
C012 C00Y H00Y 119.7 . . ?
C00N C00Z H00Z 119.3 . . ?
C00N C00Z C013 121.5(13) . . ?
C013 C00Z H00Z 119.3 . . ?
O6 C011 Tb1 67.2(7) . . ?
O6 C011 C00X 123.3(14) . . ?
O6 C011 O7 111.1(14) . . ?
C00X C011 Tb1 169.2(11) . . ?
O7 C011 Tb1 56.8(8) . . ?
O7 C011 C00X 116.6(13) . . ?
C00Y C012 H012 118.8 . . ?
C00Y C012 C013 122.3(15) . . ?
C013 C012 H012 118.8 . . ?
C00Z C013 C017 123.7(16) . . ?
C012 C013 C00Z 116.6(13) . . ?
C012 C013 C017 119.7(17) . . ?
C00R C014 C00X 119.0(12) . . ?
C00R C014 H014 120.5 . . ?
C00X C014 H014 120.5 . . ?
C017 O3 Tb1 102.2(15) . 1_655 ?
O4 C017 Tb1 75.6(11) . 1_655 ?
O4 C017 C013 117.0(19) . . ?
O4 C017 O3 125(2) . . ?
C013 C017 Tb1 166.8(16) . 1_655 ?
O3 C017 Tb1 52.0(12) . 1_655 ?
O3 C017 C013 115(2) . . ?
O9 C01A Tb1 54.2(11) . . ?
O9 C01A C01D 142(3) . . ?
O9 C01A O8 109(2) . . ?
C01D C01A Tb1 150(2) . . ?
O8 C01A Tb1 55.9(11) . . ?
O8 C01A C01D 105(2) . . ?
C01A C01D H01A 109.5 . . ?
C01A C01D H01B 109.5 . . ?
C01A C01D H01C 109.5 . . ?
H01A C01D H01B 109.5 . . ?
H01A C01D H01C 109.5 . . ?
H01B C01D H01C 109.5 . . ?
C01A O8 Tb1 97.7(12) . . ?
C011 O7 Tb1 95.4(10) . . ?

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
Tb1 O6 C011 C00X 177.2(19) . . . . ?
Tb1 O6 C011 O7 -36.9(15) . . . . ?
Tb1 O9 C01A C01D -144(4) . . . . ?
Tb1 O9 C01A O8 10(2) . . . . ?
Tb1 O3 C017 O4 -21(3) 1_655 . . . ?
Tb1 O3 C017 C013 -180.0(15) 1_655 . . . ?
Tb2 O10 C00E O11 -21(2) 2_666 . . . ?
Tb2 O10 C00E C00K 158.5(10) 2_666 . . . ?
Tb2 O11 C00E O10 -17(2) 1_464 . . . ?
Tb2 O11 C00E C00K 163.1(9) 1_464 . . . ?
Tb2 O6 C011 Tb1 -144(5) 2_667 . . . ?
Tb2 O6 C011 C00X 33(6) 2_667 . . . ?
Tb2 O6 C011 O7 179(4) 2_667 . . . ?
Tb2 O1 C00O O2 -19.8(17) 1_564 . . . ?
Tb2 O1 C00O C00M 159.3(9) 1_564 . . . ?
Tb2 O9 C01A Tb1 149(4) 1_455 . . . ?
Tb2 O9 C01A C01D 5(7) 1_455 . . . ?
Tb2 O9 C01A O8 158(2) 1_455 . . . ?
Tb2 O4 C017 Tb1 87(3) . . . 1_655 ?
Tb2 O4 C017 C013 -98(4) . . . . ?
Tb2 O4 C017 O3 104(4) . . . . ?
O10 C00E C00K C00S 20.1(18) . . . . ?
O10 C00E C00K C00V -158.6(12) . . . . ?
O11 C00E C00K C00S -160.4(13) . . . . ?
O11 C00E C00K C00V 20.9(18) . . . . ?
O6 C011 O7 Tb1 41.5(16) . . . . ?
O9 C01A O8 Tb1 -9(2) . . . . ?
C009 C00C C00H C00M 0.8(19) . . . . ?
C00A C00B C00G C00R 45.4(19) . . . . ?
C00A C00B C00G C00W -131.6(15) . . . . ?
C00A C00B C00I C009 9(2) . . . . ?
C00A C00B C00I C00D -172.7(12) . . . . ?
C00A C00L C00S C00K 4(2) . . . . ?
C00A C00P C00V C00K 2(2) . . . . ?
C00B C00A C00L C00S 176.6(11) . . . . ?
C00B C00A C00P C00V -179.5(13) . . . . ?
C00B C00G C00R C014 178.5(15) . . . . ?
C00B C00G C00W C00U -178.9(16) . . . . ?
C00C C009 C00I C00B 52.2(17) . . . . ?
C00C C009 C00I C00D -126.2(12) . . . . ?
C00C C009 C00T C00Q -1.0(18) . . . . ?
C00C C00H C00M C00O -177.8(12) . . . . ?
C00C C00H C00M C00Q -0.9(19) . . . . ?
C00D C00N C00Z C013 4(2) . . . . ?
C00D C00Y C012 C013 2(3) . . . . ?
C00E C00K C00S C00L 179.2(12) . . . . ?
C00E C00K C00V C00P 177.9(13) . . . . ?
C00G C00B C00I C009 -171.3(12) . . . . ?
C00G C00B C00I C00D 7(2) . . . . ?
C00G C00R C014 C00X 1(3) . . . . ?
C00H C00M C00O O1 20.7(18) . . . . ?
C00H C00M C00O O2 -160.2(13) . . . . ?
C00H C00M C00Q C00T 0.1(19) . . . . ?
C00I C009 C00C C00H 178.4(11) . . . . ?
C00I C009 C00T C00Q -179.1(12) . . . . ?
C00I C00B C00G C00R -134.3(15) . . . . ?
C00I C00B C00G C00W 49(2) . . . . ?
C00I C00D C00N C00Z -175.9(14) . . . . ?
C00I C00D C00Y C012 172.9(15) . . . . ?
C00L C00A C00B C00G -124.5(13) . . . . ?
C00L C00A C00B C00I 55.1(18) . . . . ?
C00L C00A C00P C00V 0(2) . . . . ?
C00M C00Q C00T C009 1(2) . . . . ?
C00N C00D C00I C009 -129.8(13) . . . . ?
C00N C00D C00I C00B 51.8(19) . . . . ?
C00N C00D C00Y C012 -5(2) . . . . ?
C00N C00Z C013 C012 -6(3) . . . . ?
C00N C00Z C013 C017 174.4(18) . . . . ?
C00O C00M C00Q C00T 177.1(12) . . . . ?
C00P C00A C00B C00G 54.7(17) . . . . ?
C00P C00A C00B C00I -125.6(15) . . . . ?
C00P C00A C00L C00S -2.6(19) . . . . ?
C00Q C00M C00O O1 -156.2(13) . . . . ?
C00Q C00M C00O O2 22.9(19) . . . . ?
C00R C00G C00W C00U 4(3) . . . . ?
C00S C00K C00V C00P -1(2) . . . . ?
C00T C009 C00C C00H 0.2(18) . . . . ?
C00T C009 C00I C00B -129.7(14) . . . . ?
C00T C009 C00I C00D 51.9(15) . . . . ?
C00U C00X C011 Tb1 169(6) . . . . ?
C00U C00X C011 O6 3(3) . . . . ?
C00U C00X C011 O7 -140.9(17) . . . . ?
C00U C00X C014 C00R 3(2) . . . . ?
C00V C00K C00S C00L -2(2) . . . . ?
C00W C00G C00R C014 -4(2) . . . . ?
C00W C00U C00X C011 -177.6(17) . . . . ?
C00W C00U C00X C014 -3(3) . . . . ?
C00X C00U C00W C00G 0(3) . . . . ?
C00X C011 O7 Tb1 -170.1(15) . . . . ?
C00Y C00D C00I C009 52.9(17) . . . . ?
C00Y C00D C00I C00B -125.5(15) . . . . ?
C00Y C00D C00N C00Z 1(2) . . . . ?
C00Y C012 C013 C00Z 3(3) . . . . ?
C00Y C012 C013 C017 -177.5(18) . . . . ?
C00Z C013 C017 Tb1 177(6) . . . 1_655 ?
C00Z C013 C017 O4 16(3) . . . . ?
C00Z C013 C017 O3 177(2) . . . . ?
C011 C00X C014 C00R 177.4(16) . . . . ?
C012 C013 C017 Tb1 -3(8) . . . 1_655 ?
C012 C013 C017 O4 -163.5(19) . . . . ?
C012 C013 C017 O3 -3(3) . . . . ?
C014 C00X C011 Tb1 -5(8) . . . . ?
C014 C00X C011 O6 -171.2(17) . . . . ?
C014 C00X C011 O7 45(3) . . . . ?
C01D C01A O8 Tb1 154(2) . . . . ?

_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 0.000 -0.568 0.500 162.2 0.0 ?
2 0.330 0.118 0.194 9.6 0.0 ?
3 0.468 0.337 0.042 25.1 7.2 ?
4 0.532 0.663 0.958 25.1 7.2 ?
5 0.670 0.882 0.806 9.6 0.0 ?

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