# Supplementary Information (SI) for CrystEngComm.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2410015'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-12-13 deposited with the CCDC.	2025-03-12 downloaded from the CCDC.
;
_audit_creation_date             2024-12-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H46 Cl4 N4 O12 Tb2'
_chemical_formula_sum            'C30 H46 Cl4 N4 O12 Tb2'
_chemical_formula_weight         1114.35
_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 0.0033 0.0016 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.6964(7)
_cell_length_b                   17.1246(6)
_cell_length_c                   12.4454(4)
_cell_angle_alpha                90
_cell_angle_beta                 89.952(3)
_cell_angle_gamma                90
_cell_volume                     4197.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4723
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.9860
_cell_measurement_theta_min      3.8590
_shelx_estimated_absorpt_T_max   0.711
_shelx_estimated_absorpt_T_min   0.711
_exptl_absorpt_coefficient_mu    3.655
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_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    1.763
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2192
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.941
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7062
_diffrn_reflns_point_group_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        24.407
_diffrn_reflns_theta_max         24.407
_diffrn_reflns_theta_min         3.552
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1954
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -46.00 -12.00   1.00    2.75    --  -16.83 112.00  87.00   34
  2  ω     28.00  82.00   1.00    2.75    --   17.22  19.00 -15.00   54
  3  ω    -78.00   0.00   1.00    2.75    --  -16.83 -57.00  30.00   78
  4  ω     36.00  64.00   1.00    2.75    --   17.22 178.00 -30.00   28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0010427000
_diffrn_orient_matrix_UB_12      -0.0280541000
_diffrn_orient_matrix_UB_13      0.0418995000
_diffrn_orient_matrix_UB_21      -0.0078694000
_diffrn_orient_matrix_UB_22      0.0299444000
_diffrn_orient_matrix_UB_23      0.0372408000
_diffrn_orient_matrix_UB_31      -0.0351216000
_diffrn_orient_matrix_UB_32      -0.0059038000
_diffrn_orient_matrix_UB_33      -0.0097035000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2793
_reflns_number_total             3234
_reflns_odcompleteness_completeness 91.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.622
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         3234
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0249
_refine_ls_restrained_S_all      1.049
_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)+(0.0251P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0568
_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. Uiso/Uaniso restraints and constraints
C14 \\sim N2 \\sim C13 \\sim C15: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
3.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C3(H3), C7(H7), C10(H10), C1(H1)
3.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C15(H15A,H15B,H15C), C14(H14A,H14B,H14C),
 C12(H12A,H12B,H12C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.66028(2) 0.20207(2) 0.47732(2) 0.02292(8) Uani 1 1 d . . . . .
Cl1 Cl 0.70390(6) 0.05626(6) 0.51419(10) 0.0451(3) Uani 1 1 d . . . . .
Cl2 Cl 0.53783(5) 0.15552(7) 0.42166(11) 0.0482(3) Uani 1 1 d . . . . .
O2 O 0.72649(12) 0.28678(14) 0.5787(2) 0.0259(7) Uani 1 1 d . . . . .
O1 O 0.59752(13) 0.31928(16) 0.5628(2) 0.0319(7) Uani 1 1 d . . . . .
O4 O 0.64644(16) 0.29969(17) 0.3489(3) 0.0413(8) Uani 1 1 d . . . . .
O5 O 0.80853(13) 0.35285(17) 0.7168(2) 0.0343(7) Uani 1 1 d . . . . .
O3 O 0.62580(17) 0.17719(18) 0.6565(3) 0.0473(9) Uani 1 1 d . . . . .
O6 O 0.55474(17) 0.5076(2) 0.8811(3) 0.0663(12) Uani 1 1 d . . . . .
C5 C 0.70010(19) 0.3363(2) 0.6498(3) 0.0251(9) Uani 1 1 d . . . . .
C6 C 0.63104(19) 0.3550(2) 0.6452(3) 0.0264(10) Uani 1 1 d . . . . .
N2 N 0.6621(2) 0.3678(2) 0.1977(3) 0.0454(10) Uani 1 1 d . U . . .
C4 C 0.7406(2) 0.3713(2) 0.7271(3) 0.0283(10) Uani 1 1 d . . . . .
C13 C 0.6829(3) 0.3361(3) 0.2870(4) 0.0468(13) Uani 1 1 d . U . . .
H13 H 0.728478 0.341606 0.304879 0.056 Uiso 1 1 calc R U . . .
C9 C 0.5289(2) 0.3422(3) 0.5439(4) 0.0495(14) Uani 1 1 d . . . . .
H9A H 0.512889 0.318334 0.478904 0.074 Uiso 1 1 calc R U . . .
H9B H 0.526604 0.397994 0.537036 0.074 Uiso 1 1 calc R U . . .
H9C H 0.501068 0.325763 0.603067 0.074 Uiso 1 1 calc R U . . .
N1 N 0.5920(2) 0.1185(3) 0.8085(4) 0.0571(13) Uani 1 1 d . . . . .
C3 C 0.7131(2) 0.4216(2) 0.8018(3) 0.0340(11) Uani 1 1 d . . . . .
H3 H 0.740329 0.444289 0.854200 0.041 Uiso 1 1 calc R U . . .
C7 C 0.6030(2) 0.4057(2) 0.7188(4) 0.0341(11) Uani 1 1 d . . . . .
H7 H 0.557134 0.418155 0.715298 0.041 Uiso 1 1 calc R U . . .
C2 C 0.6435(2) 0.4380(2) 0.7977(4) 0.0361(11) Uani 1 1 d . . . . .
C10 C 0.6048(2) 0.1204(3) 0.7063(4) 0.0493(13) Uani 1 1 d . . . . .
H10 H 0.597338 0.074833 0.667538 0.059 Uiso 1 1 calc R U . . .
C1 C 0.6137(3) 0.4916(3) 0.8756(4) 0.0483(13) Uani 1 1 d . . . . .
H1 H 0.642838 0.515150 0.924639 0.058 Uiso 1 1 calc R U . . .
C8 C 0.8518(2) 0.3702(3) 0.8043(4) 0.0590(15) Uani 1 1 d . . . . .
H8A H 0.897759 0.357583 0.785350 0.088 Uiso 1 1 calc R U . . .
H8B H 0.838342 0.339914 0.865637 0.088 Uiso 1 1 calc R U . . .
H8C H 0.848601 0.424740 0.821126 0.088 Uiso 1 1 calc R U . . .
C15 C 0.7098(3) 0.4117(4) 0.1311(5) 0.085(2) Uani 1 1 d . U . . .
H15A H 0.752105 0.417087 0.168505 0.127 Uiso 1 1 calc R U . . .
H15B H 0.691409 0.462463 0.116228 0.127 Uiso 1 1 calc R U . . .
H15C H 0.717117 0.384290 0.064800 0.127 Uiso 1 1 calc R U . . .
C14 C 0.5929(3) 0.3634(4) 0.1632(6) 0.094(2) Uani 1 1 d . U . . .
H14A H 0.589479 0.328435 0.103170 0.141 Uiso 1 1 calc R U . . .
H14B H 0.577514 0.414360 0.142301 0.141 Uiso 1 1 calc R U . . .
H14C H 0.565205 0.344373 0.221144 0.141 Uiso 1 1 calc R U . . .
C12 C 0.5689(4) 0.0470(4) 0.8627(6) 0.109(3) Uani 1 1 d . . . . .
H12A H 0.561787 0.006673 0.810383 0.163 Uiso 1 1 calc R U . . .
H12B H 0.527149 0.057320 0.899900 0.163 Uiso 1 1 calc R U . . .
H12C H 0.602744 0.030403 0.913282 0.163 Uiso 1 1 calc R U . . .
C11 C 0.6025(5) 0.1853(5) 0.8729(6) 0.120(3) Uani 1 1 d . . . . .
H11A H 0.619304 0.227179 0.829036 0.180 Uiso 1 1 calc R U . . .
H11B H 0.634964 0.173520 0.928017 0.180 Uiso 1 1 calc R U . . .
H11C H 0.560307 0.200595 0.905344 0.180 Uiso 1 1 calc R 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 Tb1 3.9382(4) 7_656 ?
Tb1 Cl1 2.6803(11) . ?
Tb1 Cl2 2.6333(11) . ?
Tb1 O2 2.344(2) 7_656 ?
Tb1 O2 2.324(3) . ?
Tb1 O1 2.586(3) . ?
Tb1 O4 2.329(3) . ?
Tb1 O5 2.664(3) 7_656 ?
Tb1 O3 2.369(3) . ?
O2 C5 1.332(4) . ?
O1 C6 1.365(5) . ?
O1 C9 1.427(5) . ?
O4 C13 1.224(5) . ?
O5 C4 1.381(4) . ?
O5 C8 1.414(5) . ?
O3 C10 1.225(5) . ?
O6 C1 1.196(5) . ?
C5 C6 1.398(5) . ?
C5 C4 1.386(6) . ?
C6 C7 1.377(5) . ?
N2 C13 1.303(6) . ?
N2 C15 1.460(6) . ?
N2 C14 1.431(7) . ?
C4 C3 1.378(5) . ?
C13 H13 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
N1 C10 1.296(6) . ?
N1 C12 1.470(7) . ?
N1 C11 1.412(8) . ?
C3 H3 0.9300 . ?
C3 C2 1.400(6) . ?
C7 H7 0.9300 . ?
C7 C2 1.382(6) . ?
C2 C1 1.457(6) . ?
C10 H10 0.9300 . ?
C1 H1 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 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
Cl1 Tb1 Tb1 94.35(3) . 7_656 ?
Cl2 Tb1 Tb1 170.45(3) . 7_656 ?
Cl2 Tb1 Cl1 93.26(4) . . ?
Cl2 Tb1 O5 82.25(6) . 7_656 ?
O2 Tb1 Tb1 32.30(6) 7_656 7_656 ?
O2 Tb1 Tb1 32.62(6) . 7_656 ?
O2 Tb1 Cl1 79.73(7) 7_656 . ?
O2 Tb1 Cl1 107.97(7) . . ?
O2 Tb1 Cl2 147.82(6) . . ?
O2 Tb1 Cl2 144.88(7) 7_656 . ?
O2 Tb1 O2 64.92(10) . 7_656 ?
O2 Tb1 O1 120.90(8) 7_656 . ?
O2 Tb1 O1 63.92(8) . . ?
O2 Tb1 O4 89.45(10) . . ?
O2 Tb1 O5 62.65(9) 7_656 7_656 ?
O2 Tb1 O5 125.70(9) . 7_656 ?
O2 Tb1 O3 124.49(11) 7_656 . ?
O2 Tb1 O3 76.23(10) . . ?
O1 Tb1 Tb1 92.65(6) . 7_656 ?
O1 Tb1 Cl1 143.70(7) . . ?
O1 Tb1 Cl2 84.58(7) . . ?
O1 Tb1 O5 139.19(9) . 7_656 ?
O4 Tb1 Tb1 84.53(8) . 7_656 ?
O4 Tb1 Cl1 145.48(8) . . ?
O4 Tb1 Cl2 85.93(8) . . ?
O4 Tb1 O2 81.34(10) . 7_656 ?
O4 Tb1 O1 70.66(10) . . ?
O4 Tb1 O5 70.00(10) . 7_656 ?
O4 Tb1 O3 137.85(11) . . ?
O5 Tb1 Tb1 94.06(6) 7_656 7_656 ?
O5 Tb1 Cl1 75.69(7) 7_656 . ?
O3 Tb1 Tb1 101.34(8) . 7_656 ?
O3 Tb1 Cl1 76.29(8) . . ?
O3 Tb1 Cl2 86.06(9) . . ?
O3 Tb1 O1 67.41(10) . . ?
O3 Tb1 O5 148.86(10) . 7_656 ?
Tb1 O2 Tb1 115.08(10) . 7_656 ?
C5 O2 Tb1 122.7(2) . . ?
C5 O2 Tb1 121.1(2) . 7_656 ?
C6 O1 Tb1 115.2(2) . . ?
C6 O1 C9 117.3(3) . . ?
C9 O1 Tb1 126.8(3) . . ?
C13 O4 Tb1 136.8(3) . . ?
C4 O5 Tb1 112.8(2) . 7_656 ?
C4 O5 C8 117.7(3) . . ?
C8 O5 Tb1 129.3(2) . 7_656 ?
C10 O3 Tb1 135.7(3) . . ?
O2 C5 C6 119.8(4) . . ?
O2 C5 C4 120.8(3) . . ?
C4 C5 C6 119.3(4) . . ?
O1 C6 C5 113.6(3) . . ?
O1 C6 C7 126.0(4) . . ?
C7 C6 C5 120.4(4) . . ?
C13 N2 C15 119.7(5) . . ?
C13 N2 C14 122.3(5) . . ?
C14 N2 C15 118.0(5) . . ?
O5 C4 C5 113.2(3) . . ?
C3 C4 O5 125.9(4) . . ?
C3 C4 C5 120.8(4) . . ?
O4 C13 N2 124.4(5) . . ?
O4 C13 H13 117.8 . . ?
N2 C13 H13 117.8 . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 N1 C12 122.1(6) . . ?
C10 N1 C11 120.5(5) . . ?
C11 N1 C12 117.3(5) . . ?
C4 C3 H3 120.5 . . ?
C4 C3 C2 119.1(4) . . ?
C2 C3 H3 120.5 . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C2 119.6(4) . . ?
C2 C7 H7 120.2 . . ?
C3 C2 C1 119.7(4) . . ?
C7 C2 C3 120.7(4) . . ?
C7 C2 C1 119.5(4) . . ?
O3 C10 N1 125.6(5) . . ?
O3 C10 H10 117.2 . . ?
N1 C10 H10 117.2 . . ?
O6 C1 C2 125.0(5) . . ?
O6 C1 H1 117.5 . . ?
C2 C1 H1 117.5 . . ?
O5 C8 H8A 109.5 . . ?
O5 C8 H8B 109.5 . . ?
O5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

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 O2 C5 C6 -18.0(5) . . . . ?
Tb1 O2 C5 C6 149.1(3) 7_656 . . . ?
Tb1 O2 C5 C4 163.6(3) . . . . ?
Tb1 O2 C5 C4 -29.3(5) 7_656 . . . ?
Tb1 O1 C6 C5 16.6(4) . . . . ?
Tb1 O1 C6 C7 -164.2(3) . . . . ?
Tb1 O4 C13 N2 154.4(4) . . . . ?
Tb1 O5 C4 C5 18.6(4) 7_656 . . . ?
Tb1 O5 C4 C3 -158.6(3) 7_656 . . . ?
Tb1 O3 C10 N1 175.9(3) . . . . ?
O2 C5 C6 O1 -1.1(5) . . . . ?
O2 C5 C6 C7 179.6(4) . . . . ?
O2 C5 C4 O5 3.6(5) . . . . ?
O2 C5 C4 C3 -179.0(4) . . . . ?
O1 C6 C7 C2 -179.5(4) . . . . ?
O5 C4 C3 C2 176.1(4) . . . . ?
C5 C6 C7 C2 -0.3(6) . . . . ?
C5 C4 C3 C2 -1.0(6) . . . . ?
C6 C5 C4 O5 -174.8(3) . . . . ?
C6 C5 C4 C3 2.6(6) . . . . ?
C6 C7 C2 C3 1.9(6) . . . . ?
C6 C7 C2 C1 -179.9(4) . . . . ?
C4 C5 C6 O1 177.3(3) . . . . ?
C4 C5 C6 C7 -2.0(6) . . . . ?
C4 C3 C2 C7 -1.3(6) . . . . ?
C4 C3 C2 C1 -179.5(4) . . . . ?
C9 O1 C6 C5 -172.6(4) . . . . ?
C9 O1 C6 C7 6.7(6) . . . . ?
C3 C2 C1 O6 -177.5(5) . . . . ?
C7 C2 C1 O6 4.3(7) . . . . ?
C8 O5 C4 C5 -165.8(4) . . . . ?
C8 O5 C4 C3 17.0(6) . . . . ?
C15 N2 C13 O4 178.5(5) . . . . ?
C14 N2 C13 O4 0.5(8) . . . . ?
C12 N1 C10 O3 -178.0(5) . . . . ?
C11 N1 C10 O3 -0.4(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.473
_oxdiff_exptl_absorpt_empirical_full_min 0.613
# start Validation Reply Form
_vrf_PLAT029_1                   
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.941 Why?  
RESPONSE: We have tried several times for a better diffraction experiment,
 but it failed. According to the current diffraction result, the structure can be
 undoubedtly determined. And we will try to grow better crystal quality to
 improve the data in continuing work.
;
_vrf_PLAT911_clb-1               
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.581        195 Report
RESPONSE: We have tried several times for a better diffraction experiment,
 but it failed. According to the current diffraction result, the structure can be
 undoubedtly determined. And we will try to grow better crystal quality to
 improve the data in continuing work.
;

