# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_lz-2
_database_code_depnum_ccdc_archive 'CCDC 2158949'
loop_
_audit_author_name
_audit_author_address
wunan
;Inner Mongolia University
China
;
_audit_update_record             
;
2022-07-27 deposited with the CCDC.	2022-11-14 downloaded from the CCDC.
;
_audit_creation_date             2022-07-20
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H19 N4 O13 Tb Zn, 2(H2 O)'
_chemical_formula_sum            'C25 H23 N4 O15 Tb Zn'
_chemical_formula_weight         843.76
_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'
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'
Tb Tb -9.1472 9.1891 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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                   24.6321(2)
_cell_length_b                   12.56880(10)
_cell_length_c                   18.42700(10)
_cell_angle_alpha                90
_cell_angle_beta                 104.2320(10)
_cell_angle_gamma                90
_cell_volume                     5529.83(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9261
_cell_measurement_temperature    300.69(10)
_cell_measurement_theta_max      73.2960
_cell_measurement_theta_min      3.7110
_shelx_estimated_absorpt_T_max   0.280
_shelx_estimated_absorpt_T_min   0.092
_exptl_absorpt_coefficient_mu    14.251
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
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    2.027
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3328
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0179
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13913
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.487
_diffrn_reflns_theta_min         3.703
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      300.69(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -38.00  19.00   0.50    0.93    --    0.00  77.00   0.00  114
  2  ω     -6.00  37.00   0.50    0.93    --    0.00 -57.00 -60.00   86
  3  ω    -88.00 -22.00   0.50    0.93    --    0.00 -57.00 -60.00  132
  4  ω    115.00 168.00   0.50    3.71    --   98.20  82.00 -90.00  106
  5  ω     95.00 121.00   0.50    3.71    --   98.20 -82.00  90.00   52
  6  ω     63.00 133.00   0.50    3.71    --   98.20 -82.00 120.00  140
  7  ω     67.00 111.00   0.50    3.71    --   98.20  82.00 -90.00   88
  8  ω     91.00 117.00   0.50    3.71    --   98.20  61.00  60.00   52
  9  ω    134.00 180.00   0.50    3.71    --   98.20  61.00  60.00   92
 10  ω     10.00 125.00   0.50    3.71    --   98.20 -77.00   0.00  230
 11  ω     83.00 187.00   0.50    3.71    --   98.20  61.00-150.00  208
 12  ω     84.00 125.00   0.50    3.71    --   98.20 -82.00-180.00   82
 13  ω     68.00 136.00   0.50    3.71    --   98.20  82.00 120.00  136
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0108312000
_diffrn_orient_matrix_UB_12      -0.1106255000
_diffrn_orient_matrix_UB_13      -0.0296441000
_diffrn_orient_matrix_UB_21      -0.0091675000
_diffrn_orient_matrix_UB_22      -0.0515104000
_diffrn_orient_matrix_UB_23      0.0718543000
_diffrn_orient_matrix_UB_31      -0.0629703000
_diffrn_orient_matrix_UB_32      -0.0114801000
_diffrn_orient_matrix_UB_33      -0.0373213000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5031
_reflns_number_total             5408
_reflns_odcompleteness_completeness 99.52
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.342
_refine_diff_density_min         -1.208
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         5408
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0222
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0363P)²+5.1923P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0604
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Free rotating group:
 O14(H14A,H14B), O15(H15A,H15B)
2.b Rotating group:
 O8(H8A,H8B), O5(H5A,H5B)
2.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C21(H21), C22(H22), C4(H4), C14(H14), C19(H19), C13(H13), C7(H7),
 C2(H2), C1(H1), C9(H9), C10(H10), C25(H25)
;
_atom_sites_solution_hydrogens   mixed
_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 0.34764(2) 0.74895(2) 0.19712(2) 0.01482(6) Uani 1 1 d . . . . .
Zn1 Zn 0.58524(2) 0.24066(2) 0.48134(2) 0.01795(7) Uani 1 1 d . . . . .
O7 O 0.43019(6) -0.19412(11) 0.29338(8) 0.0236(3) Uani 1 1 d . . . . .
O9 O 0.62436(7) 0.12722(14) 0.56193(9) 0.0294(3) Uani 1 1 d . . . . .
O1 O 0.39439(6) 0.59832(11) 0.25203(8) 0.0269(3) Uani 1 1 d . . . . .
O3 O 0.40792(7) 0.72983(13) 0.11689(9) 0.0284(3) Uani 1 1 d . . . . .
O8 O 0.53765(6) 0.27926(13) 0.55881(8) 0.0257(3) Uani 1 1 d . . . . .
H8A H 0.546774 0.238571 0.598721 0.039 Uiso 1 1 d R U . . .
H8B H 0.502094 0.264251 0.540441 0.039 Uiso 1 1 d R U . . .
O10 O 0.77358(6) 0.15713(12) 0.24603(8) 0.0284(3) Uani 1 1 d . . . . .
O5 O 0.30335(6) 0.60957(12) 0.11267(8) 0.0250(3) Uani 1 1 d . . . . .
H5A H 0.267995 0.601907 0.113546 0.038 Uiso 1 1 d R U . . .
H5B H 0.317996 0.547221 0.128102 0.038 Uiso 1 1 d R U . . .
O6 O 0.38360(6) -0.06599(12) 0.22420(8) 0.0291(3) Uani 1 1 d . . . . .
N4 N 0.64275(6) 0.36476(13) 0.52329(9) 0.0182(3) Uani 1 1 d . . . . .
O11 O 0.81497(6) 0.29397(15) 0.30958(8) 0.0315(3) Uani 1 1 d . . . . .
O12 O 0.80677(7) 0.61864(13) 0.57818(9) 0.0334(4) Uani 1 1 d . . . . .
N3 N 0.64948(7) 0.22400(14) 0.41842(9) 0.0183(3) Uani 1 1 d . . . . .
N2 N 0.53278(7) 0.12552(14) 0.41556(9) 0.0203(3) Uani 1 1 d . . . . .
O13 O 0.75622(7) 0.66695(14) 0.65437(9) 0.0384(4) Uani 1 1 d . . . . .
O2 O 0.36923(7) 0.45095(13) 0.18555(10) 0.0436(4) Uani 1 1 d . . . . .
N1 N 0.52627(7) 0.33460(13) 0.39968(9) 0.0192(3) Uani 1 1 d . . . . .
O14 O 0.81975(8) 0.55763(14) 0.44001(11) 0.0442(4) Uani 1 1 d G . . . .
H14A H 0.819426 0.583025 0.482645 0.066 Uiso 1 1 d G U . . .
H14B H 0.834306 0.602622 0.415957 0.066 Uiso 1 1 d G U . . .
O15 O 0.85152(9) 0.72352(17) 0.36660(11) 0.0415(4) Uani 1 1 d G . . . .
H15A H 0.875758 0.751603 0.402355 0.062 Uiso 1 1 d G U . . .
H15B H 0.820337 0.755236 0.361471 0.062 Uiso 1 1 d G U . . .
O4 O 0.42611(7) 0.7105(2) 0.00505(10) 0.0487(5) Uani 1 1 d . . . . .
C17 C 0.68958(8) 0.29902(15) 0.43216(10) 0.0168(4) Uani 1 1 d . . . . .
C18 C 0.68676(7) 0.37617(15) 0.49243(10) 0.0162(3) Uani 1 1 d . . . . .
C5 C 0.48565(8) 0.27956(17) 0.35218(11) 0.0182(4) Uani 1 1 d . . . . .
C6 C 0.48947(8) 0.16166(15) 0.36083(10) 0.0168(4) Uani 1 1 d . . . . .
C16 C 0.73090(8) 0.30332(16) 0.39265(10) 0.0193(4) Uani 1 1 d . . . . .
H16 H 0.757976 0.356495 0.402662 0.023 Uiso 1 1 calc R U . . .
C12 C 0.42265(8) -0.09701(15) 0.27713(10) 0.0188(4) Uani 1 1 d . . . . .
C21 C 0.67730(8) 0.50814(16) 0.60712(11) 0.0241(4) Uani 1 1 d . . . . .
H21 H 0.673400 0.551165 0.646583 0.029 Uiso 1 1 calc R U . . .
C22 C 0.63859(9) 0.42923(17) 0.57958(11) 0.0229(4) Uani 1 1 d . . . . .
H22 H 0.608411 0.420559 0.601023 0.027 Uiso 1 1 calc R U . . .
C8 C 0.46172(8) -0.01755(15) 0.32418(11) 0.0184(4) Uani 1 1 d . . . . .
C11 C 0.39833(8) 0.50063(16) 0.23897(11) 0.0215(4) Uani 1 1 d . . . . .
C3 C 0.44371(8) 0.44131(16) 0.29488(11) 0.0195(4) Uani 1 1 d . . . . .
C4 C 0.44400(8) 0.33103(15) 0.29874(10) 0.0194(4) Uani 1 1 d . . . . .
H4 H 0.416597 0.291725 0.265910 0.023 Uiso 1 1 calc R U . . .
C15 C 0.73129(9) 0.22734(17) 0.33807(11) 0.0197(4) Uani 1 1 d . . . . .
C24 C 0.76457(8) 0.60801(16) 0.60341(11) 0.0229(4) Uani 1 1 d . . . . .
C14 C 0.68998(8) 0.14998(16) 0.32400(11) 0.0232(4) Uani 1 1 d . . . . .
H14 H 0.689049 0.098458 0.287487 0.028 Uiso 1 1 calc R U . . .
C19 C 0.72707(8) 0.45379(15) 0.51746(10) 0.0184(4) Uani 1 1 d . . . . .
H19 H 0.757324 0.460165 0.495922 0.022 Uiso 1 1 calc R U . . .
C20 C 0.72207(8) 0.52190(15) 0.57478(10) 0.0198(4) Uani 1 1 d . . . . .
C13 C 0.65021(8) 0.15098(16) 0.36530(10) 0.0217(4) Uani 1 1 d . . . . .
H13 H 0.622642 0.098713 0.355975 0.026 Uiso 1 1 calc R U . . .
C7 C 0.45242(8) 0.09145(15) 0.31591(11) 0.0203(4) Uani 1 1 d . . . . .
H7 H 0.421535 0.117120 0.280468 0.024 Uiso 1 1 calc R U . . .
C2 C 0.48610(9) 0.49692(16) 0.34405(11) 0.0240(4) Uani 1 1 d . . . . .
H2 H 0.487347 0.570828 0.342654 0.029 Uiso 1 1 calc R U . . .
C1 C 0.52610(9) 0.44078(17) 0.39472(12) 0.0249(4) Uani 1 1 d . . . . .
H1 H 0.554466 0.478484 0.427182 0.030 Uiso 1 1 calc R U . . .
C9 C 0.50814(8) -0.05309(16) 0.37722(12) 0.0250(4) Uani 1 1 d . . . . .
H9 H 0.516690 -0.125217 0.382063 0.030 Uiso 1 1 calc R U . . .
C23 C 0.77586(9) 0.22553(18) 0.29530(11) 0.0213(4) Uani 1 1 d . . . . .
C10 C 0.54133(9) 0.02048(16) 0.42257(12) 0.0268(4) Uani 1 1 d . . . . .
H10 H 0.571266 -0.003939 0.460068 0.032 Uiso 1 1 calc R U . . .
C25 C 0.39447(9) 0.7134(2) 0.04794(12) 0.0312(5) Uani 1 1 d . . . . .
H25 H 0.356610 0.702140 0.026449 0.037 Uiso 1 1 calc R U . . .
H9A H 0.6402(13) 0.150(3) 0.5962(17) 0.045(9) Uiso 1 1 d . . . . .
H9B H 0.6394(14) 0.064(3) 0.5573(18) 0.053(9) Uiso 1 1 d . . . . .


_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 O7 2.4535(13) 1_565 ?
Tb1 O1 2.3156(14) . ?
Tb1 O3 2.3511(16) . ?
Tb1 O10 2.5060(14) 3_455 ?
Tb1 O5 2.4178(14) . ?
Tb1 O6 2.4953(15) 1_565 ?
Tb1 O11 2.4661(14) 3_455 ?
Tb1 O12 2.7389(16) 8_465 ?
Tb1 O13 2.4364(15) 8_465 ?
Tb1 C12 2.8279(19) 1_565 ?
Tb1 C24 2.9433(19) 8_465 ?
Tb1 C23 2.839(2) 3_455 ?
Zn1 O9 2.1127(16) . ?
Zn1 O8 2.1142(15) . ?
Zn1 N4 2.1211(15) . ?
Zn1 N3 2.1896(16) . ?
Zn1 N2 2.1126(17) . ?
Zn1 N1 2.1663(17) . ?
O7 C12 1.260(2) . ?
O9 H9A 0.72(3) . ?
O9 H9B 0.89(4) . ?
O1 C11 1.259(2) . ?
O3 C25 1.249(3) . ?
O8 H8A 0.8784 . ?
O8 H8B 0.8784 . ?
O10 C23 1.241(3) . ?
O5 H5A 0.8804 . ?
O5 H5B 0.8801 . ?
O6 C12 1.252(2) . ?
N4 C18 1.350(2) . ?
N4 C22 1.340(3) . ?
O11 C23 1.270(3) . ?
O12 C24 1.246(3) . ?
N3 C17 1.344(3) . ?
N3 C13 1.345(2) . ?
N2 C6 1.354(2) . ?
N2 C10 1.338(3) . ?
O13 C24 1.252(2) . ?
O2 C11 1.235(3) . ?
N1 C5 1.347(3) . ?
N1 C1 1.338(3) . ?
O14 H14A 0.8499 . ?
O14 H14B 0.8501 . ?
O15 H15A 0.8497 . ?
O15 H15B 0.8497 . ?
O4 C25 1.240(3) . ?
C17 C18 1.489(2) . ?
C17 C16 1.391(2) . ?
C18 C19 1.387(3) . ?
C5 C6 1.491(3) . ?
C5 C4 1.394(3) . ?
C6 C7 1.388(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.389(3) . ?
C12 C8 1.505(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(3) . ?
C21 C20 1.387(3) . ?
C22 H22 0.9300 . ?
C8 C7 1.391(3) . ?
C8 C9 1.383(3) . ?
C11 C3 1.517(3) . ?
C3 C4 1.388(3) . ?
C3 C2 1.391(3) . ?
C4 H4 0.9300 . ?
C15 C14 1.385(3) . ?
C15 C23 1.501(3) . ?
C24 C20 1.508(3) . ?
C14 H14 0.9300 . ?
C14 C13 1.380(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.388(3) . ?
C13 H13 0.9300 . ?
C7 H7 0.9300 . ?
C2 H2 0.9300 . ?
C2 C1 1.374(3) . ?
C1 H1 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.373(3) . ?
C10 H10 0.9300 . ?
C25 H25 0.9300 . ?

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
O7 Tb1 O10 114.93(5) 1_565 3_455 ?
O7 Tb1 O6 52.64(4) 1_565 1_565 ?
O7 Tb1 O11 73.10(5) 1_565 3_455 ?
O7 Tb1 O12 118.53(5) 1_565 8_465 ?
O7 Tb1 C12 26.39(5) 1_565 1_565 ?
O7 Tb1 C24 125.38(5) 1_565 8_465 ?
O7 Tb1 C23 96.02(5) 1_565 3_455 ?
O1 Tb1 O7 71.81(5) . 1_565 ?
O1 Tb1 O3 82.42(6) . . ?
O1 Tb1 O10 78.11(5) . 3_455 ?
O1 Tb1 O5 77.64(5) . . ?
O1 Tb1 O6 124.11(5) . 1_565 ?
O1 Tb1 O11 92.88(6) . 3_455 ?
O1 Tb1 O12 153.12(5) . 8_465 ?
O1 Tb1 O13 144.77(6) . 8_465 ?
O1 Tb1 C12 98.10(5) . 1_565 ?
O1 Tb1 C24 162.77(6) . 8_465 ?
O1 Tb1 C23 87.56(6) . 3_455 ?
O3 Tb1 O7 86.85(5) . 1_565 ?
O3 Tb1 O10 143.82(5) . 3_455 ?
O3 Tb1 O5 77.05(5) . . ?
O3 Tb1 O6 88.46(6) . 1_565 ?
O3 Tb1 O11 159.85(6) . 3_455 ?
O3 Tb1 O12 73.96(5) . 8_465 ?
O3 Tb1 O13 121.16(6) . 8_465 ?
O3 Tb1 C12 88.00(6) . 1_565 ?
O3 Tb1 C24 98.57(6) . 8_465 ?
O3 Tb1 C23 168.16(6) . 3_455 ?
O10 Tb1 O12 114.26(5) 3_455 8_465 ?
O10 Tb1 C12 124.60(5) 3_455 1_565 ?
O10 Tb1 C24 91.71(5) 3_455 8_465 ?
O10 Tb1 C23 25.92(6) 3_455 3_455 ?
O5 Tb1 O7 147.05(5) . 1_565 ?
O5 Tb1 O10 69.19(5) . 3_455 ?
O5 Tb1 O6 152.36(5) . 1_565 ?
O5 Tb1 O11 121.22(5) . 3_455 ?
O5 Tb1 O12 84.63(5) . 8_465 ?
O5 Tb1 O13 82.61(6) . 8_465 ?
O5 Tb1 C12 164.84(5) . 1_565 ?
O5 Tb1 C24 85.78(5) . 8_465 ?
O5 Tb1 C23 94.70(6) . 3_455 ?
O6 Tb1 O10 127.69(5) 1_565 3_455 ?
O6 Tb1 O12 68.66(5) 1_565 8_465 ?
O6 Tb1 C12 26.26(5) 1_565 1_565 ?
O6 Tb1 C24 73.10(5) 1_565 8_465 ?
O6 Tb1 C23 102.43(6) 1_565 3_455 ?
O11 Tb1 O10 52.17(5) 3_455 3_455 ?
O11 Tb1 O6 77.95(5) 3_455 1_565 ?
O11 Tb1 O12 113.66(5) 3_455 8_465 ?
O11 Tb1 C12 73.21(5) 3_455 1_565 ?
O11 Tb1 C24 91.69(6) 3_455 8_465 ?
O11 Tb1 C23 26.52(6) 3_455 3_455 ?
O12 Tb1 C12 93.77(5) 8_465 1_565 ?
O12 Tb1 C24 25.00(5) 8_465 8_465 ?
O12 Tb1 C23 114.14(5) 8_465 3_455 ?
O13 Tb1 O7 130.02(6) 8_465 1_565 ?
O13 Tb1 O10 67.63(5) 8_465 3_455 ?
O13 Tb1 O6 85.10(6) 8_465 1_565 ?
O13 Tb1 O11 72.88(6) 8_465 3_455 ?
O13 Tb1 O12 49.39(5) 8_465 8_465 ?
O13 Tb1 C12 107.76(6) 8_465 1_565 ?
O13 Tb1 C24 24.69(5) 8_465 8_465 ?
O13 Tb1 C23 65.17(6) 8_465 3_455 ?
C12 Tb1 C24 99.12(6) 1_565 8_465 ?
C12 Tb1 C23 99.68(6) 1_565 3_455 ?
C23 Tb1 C24 89.15(6) 3_455 8_465 ?
O9 Zn1 O8 85.01(6) . . ?
O9 Zn1 N4 95.26(7) . . ?
O9 Zn1 N3 92.49(7) . . ?
O9 Zn1 N2 92.86(7) . . ?
O9 Zn1 N1 165.50(7) . . ?
O8 Zn1 N4 90.95(6) . . ?
O8 Zn1 N3 166.48(6) . . ?
O8 Zn1 N1 87.46(6) . . ?
N4 Zn1 N3 76.02(6) . . ?
N4 Zn1 N1 97.24(6) . . ?
N2 Zn1 O8 100.50(6) . . ?
N2 Zn1 N4 166.50(6) . . ?
N2 Zn1 N3 92.89(6) . . ?
N2 Zn1 N1 76.34(6) . . ?
N1 Zn1 N3 97.63(6) . . ?
C12 O7 Tb1 93.63(11) . 1_545 ?
Zn1 O9 H9A 114(3) . . ?
Zn1 O9 H9B 132(2) . . ?
H9A O9 H9B 107(3) . . ?
C11 O1 Tb1 140.08(13) . . ?
C25 O3 Tb1 127.30(15) . . ?
Zn1 O8 H8A 111.2 . . ?
Zn1 O8 H8B 110.9 . . ?
H8A O8 H8B 102.9 . . ?
C23 O10 Tb1 92.18(13) . 3_545 ?
Tb1 O5 H5A 111.1 . . ?
Tb1 O5 H5B 110.7 . . ?
H5A O5 H5B 103.0 . . ?
C12 O6 Tb1 91.86(12) . 1_545 ?
C18 N4 Zn1 117.26(12) . . ?
C22 N4 Zn1 123.75(13) . . ?
C22 N4 C18 118.95(16) . . ?
C23 O11 Tb1 93.33(12) . 3_545 ?
C24 O12 Tb1 86.72(12) . 8_566 ?
C17 N3 Zn1 115.25(13) . . ?
C17 N3 C13 118.37(16) . . ?
C13 N3 Zn1 126.25(13) . . ?
C6 N2 Zn1 117.15(13) . . ?
C10 N2 Zn1 124.12(13) . . ?
C10 N2 C6 118.65(17) . . ?
C24 O13 Tb1 100.95(13) . 8_566 ?
C5 N1 Zn1 115.81(13) . . ?
C1 N1 Zn1 125.55(14) . . ?
C1 N1 C5 118.59(17) . . ?
H14A O14 H14B 109.5 . . ?
H15A O15 H15B 109.6 . . ?
N3 C17 C18 115.52(16) . . ?
N3 C17 C16 121.83(17) . . ?
C16 C17 C18 122.66(17) . . ?
N4 C18 C17 115.76(16) . . ?
N4 C18 C19 121.18(16) . . ?
C19 C18 C17 123.04(16) . . ?
N1 C5 C6 115.06(17) . . ?
N1 C5 C4 121.37(19) . . ?
C4 C5 C6 123.56(18) . . ?
N2 C6 C5 115.50(16) . . ?
N2 C6 C7 120.89(18) . . ?
C7 C6 C5 123.60(17) . . ?
C17 C16 H16 120.4 . . ?
C15 C16 C17 119.26(18) . . ?
C15 C16 H16 120.4 . . ?
O7 C12 Tb1 59.98(10) . 1_545 ?
O7 C12 C8 118.04(17) . . ?
O6 C12 Tb1 61.88(10) . 1_545 ?
O6 C12 O7 121.81(18) . . ?
O6 C12 C8 120.14(17) . . ?
C8 C12 Tb1 176.38(13) . 1_545 ?
C22 C21 H21 120.6 . . ?
C22 C21 C20 118.76(18) . . ?
C20 C21 H21 120.6 . . ?
N4 C22 C21 122.73(18) . . ?
N4 C22 H22 118.6 . . ?
C21 C22 H22 118.6 . . ?
C7 C8 C12 121.71(17) . . ?
C9 C8 C12 119.55(17) . . ?
C9 C8 C7 118.74(18) . . ?
O1 C11 C3 115.34(17) . . ?
O2 C11 O1 126.03(19) . . ?
O2 C11 C3 118.64(18) . . ?
C4 C3 C11 121.30(18) . . ?
C4 C3 C2 118.35(18) . . ?
C2 C3 C11 120.35(18) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.55(18) . . ?
C3 C4 H4 120.2 . . ?
C16 C15 C23 121.80(19) . . ?
C14 C15 C16 118.87(18) . . ?
C14 C15 C23 119.32(19) . . ?
O12 C24 Tb1 68.28(11) . 8_566 ?
O12 C24 O13 121.49(19) . . ?
O12 C24 C20 121.17(18) . . ?
O13 C24 Tb1 54.36(10) . 8_566 ?
O13 C24 C20 117.33(18) . . ?
C20 C24 Tb1 165.09(13) . 8_566 ?
C15 C14 H14 120.7 . . ?
C13 C14 C15 118.60(18) . . ?
C13 C14 H14 120.7 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.76(17) . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C24 119.74(17) . . ?
C21 C20 C19 118.59(18) . . ?
C19 C20 C24 121.66(17) . . ?
N3 C13 C14 123.07(18) . . ?
N3 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C6 C7 C8 119.63(18) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C3 C2 H2 120.6 . . ?
C1 C2 C3 118.86(19) . . ?
C1 C2 H2 120.6 . . ?
N1 C1 C2 123.25(19) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C8 C9 H9 120.7 . . ?
C10 C9 C8 118.53(19) . . ?
C10 C9 H9 120.7 . . ?
O10 C23 Tb1 61.90(11) . 3_545 ?
O10 C23 O11 121.08(19) . . ?
O10 C23 C15 119.2(2) . . ?
O11 C23 Tb1 60.15(10) . 3_545 ?
O11 C23 C15 119.77(19) . . ?
C15 C23 Tb1 169.66(14) . 3_545 ?
N2 C10 C9 123.34(19) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
O3 C25 H25 116.5 . . ?
O4 C25 O3 127.0(2) . . ?
O4 C25 H25 116.5 . . ?

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 O7 C12 O6 -2.6(2) 1_545 . . . ?
Tb1 O7 C12 C8 176.53(15) 1_545 . . . ?
Tb1 O1 C11 O2 -7.2(4) . . . . ?
Tb1 O1 C11 C3 172.39(14) . . . . ?
Tb1 O3 C25 O4 174.7(2) . . . . ?
Tb1 O10 C23 O11 -11.3(2) 3_545 . . . ?
Tb1 O10 C23 C15 168.27(17) 3_545 . . . ?
Tb1 O6 C12 O7 2.5(2) 1_545 . . . ?
Tb1 O6 C12 C8 -176.56(15) 1_545 . . . ?
Tb1 O11 C23 O10 11.5(2) 3_545 . . . ?
Tb1 O11 C23 C15 -168.07(17) 3_545 . . . ?
Tb1 O12 C24 O13 11.6(2) 8_566 . . . ?
Tb1 O12 C24 C20 -167.08(18) 8_566 . . . ?
Tb1 O13 C24 O12 -13.3(2) 8_566 . . . ?
Tb1 O13 C24 C20 165.44(15) 8_566 . . . ?
Tb1 C24 C20 C21 50.0(6) 8_566 . . . ?
Tb1 C24 C20 C19 -128.7(5) 8_566 . . . ?
Zn1 N4 C18 C17 -0.2(2) . . . . ?
Zn1 N4 C18 C19 -178.65(13) . . . . ?
Zn1 N4 C22 C21 178.52(16) . . . . ?
Zn1 N3 C17 C18 4.9(2) . . . . ?
Zn1 N3 C17 C16 -175.37(14) . . . . ?
Zn1 N3 C13 C14 175.10(15) . . . . ?
Zn1 N2 C6 C5 2.2(2) . . . . ?
Zn1 N2 C6 C7 -178.87(14) . . . . ?
Zn1 N2 C10 C9 -177.15(16) . . . . ?
Zn1 N1 C5 C6 -3.0(2) . . . . ?
Zn1 N1 C5 C4 177.74(14) . . . . ?
Zn1 N1 C1 C2 -176.79(16) . . . . ?
O7 C12 C8 C7 -172.18(18) . . . . ?
O7 C12 C8 C9 7.7(3) . . . . ?
O1 C11 C3 C4 163.68(19) . . . . ?
O1 C11 C3 C2 -16.0(3) . . . . ?
O6 C12 C8 C7 7.0(3) . . . . ?
O6 C12 C8 C9 -173.15(19) . . . . ?
N4 C18 C19 C20 -0.6(3) . . . . ?
O12 C24 C20 C21 176.2(2) . . . . ?
O12 C24 C20 C19 -2.4(3) . . . . ?
N3 C17 C18 N4 -3.2(2) . . . . ?
N3 C17 C18 C19 175.22(17) . . . . ?
N3 C17 C16 C15 -0.8(3) . . . . ?
N2 C6 C7 C8 -3.8(3) . . . . ?
O13 C24 C20 C21 -2.6(3) . . . . ?
O13 C24 C20 C19 178.80(19) . . . . ?
O2 C11 C3 C4 -16.7(3) . . . . ?
O2 C11 C3 C2 163.6(2) . . . . ?
N1 C5 C6 N2 0.6(2) . . . . ?
N1 C5 C6 C7 -178.28(18) . . . . ?
N1 C5 C4 C3 -1.0(3) . . . . ?
C17 N3 C13 C14 -0.4(3) . . . . ?
C17 C18 C19 C20 -178.97(17) . . . . ?
C17 C16 C15 C14 0.7(3) . . . . ?
C17 C16 C15 C23 -177.94(18) . . . . ?
C18 N4 C22 C21 0.7(3) . . . . ?
C18 C17 C16 C15 178.89(18) . . . . ?
C18 C19 C20 C21 1.9(3) . . . . ?
C18 C19 C20 C24 -179.50(17) . . . . ?
C5 N1 C1 C2 0.8(3) . . . . ?
C5 C6 C7 C8 175.00(17) . . . . ?
C6 N2 C10 C9 -0.4(3) . . . . ?
C6 C5 C4 C3 179.88(17) . . . . ?
C16 C17 C18 N4 177.06(17) . . . . ?
C16 C17 C18 C19 -4.5(3) . . . . ?
C16 C15 C14 C13 -0.5(3) . . . . ?
C16 C15 C23 Tb1 -85.5(9) . . . 3_545 ?
C16 C15 C23 O10 -178.56(19) . . . . ?
C16 C15 C23 O11 1.0(3) . . . . ?
C12 C8 C7 C6 179.68(17) . . . . ?
C12 C8 C9 C10 -176.12(19) . . . . ?
C22 N4 C18 C17 177.79(17) . . . . ?
C22 N4 C18 C19 -0.7(3) . . . . ?
C22 C21 C20 C24 179.49(19) . . . . ?
C22 C21 C20 C19 -1.9(3) . . . . ?
C8 C9 C10 N2 -3.6(3) . . . . ?
C11 C3 C4 C5 -178.40(17) . . . . ?
C11 C3 C2 C1 179.07(18) . . . . ?
C3 C2 C1 N1 -0.4(3) . . . . ?
C4 C5 C6 N2 179.82(17) . . . . ?
C4 C5 C6 C7 0.9(3) . . . . ?
C4 C3 C2 C1 -0.6(3) . . . . ?
C15 C14 C13 N3 0.4(3) . . . . ?
C14 C15 C23 Tb1 95.8(9) . . . 3_545 ?
C14 C15 C23 O10 2.8(3) . . . . ?
C14 C15 C23 O11 -177.6(2) . . . . ?
C20 C21 C22 N4 0.6(3) . . . . ?
C13 N3 C17 C18 -179.07(17) . . . . ?
C13 N3 C17 C16 0.7(3) . . . . ?
C7 C8 C9 C10 3.8(3) . . . . ?
C2 C3 C4 C5 1.3(3) . . . . ?
C1 N1 C5 C6 179.16(17) . . . . ?
C1 N1 C5 C4 -0.1(3) . . . . ?
C9 C8 C7 C6 -0.2(3) . . . . ?
C23 C15 C14 C13 178.19(18) . . . . ?
C10 N2 C6 C5 -174.80(17) . . . . ?
C10 N2 C6 C7 4.1(3) . . . . ?

_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 2.204
_oxdiff_exptl_absorpt_empirical_full_min 0.719
