# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_sq
_database_code_depnum_ccdc_archive 'CCDC 2190955'
loop_
_audit_author_name
_audit_author_address
'Chuanlei Zhang'
;Nanjing University
China
;
_audit_update_record             
;
2022-07-18 deposited with the CCDC.	2023-07-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H34 O11 Tb'
_chemical_formula_weight         801.55

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'
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'

_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                   9.4513(4)
_cell_length_b                   15.2354(7)
_cell_length_c                   18.4015(8)
_cell_angle_alpha                108.9470(10)
_cell_angle_beta                 95.4730(10)
_cell_angle_gamma                93.3720(10)
_cell_volume                     2483.35(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5368
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      27.28

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      1.072
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_F_000             806
_exptl_transmission_factor_min   0.670
_exptl_transmission_factor_max   0.724
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    1.465
_shelx_estimated_absorpt_T_min   0.684
_shelx_estimated_absorpt_T_max   0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18150
_diffrn_reflns_av_unetI/netI     0.1054
_diffrn_reflns_av_R_equivalents  0.0759
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.420
_diffrn_reflns_theta_max         28.392
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             12291
_reflns_number_gt                9268
_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.
 
 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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0080P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12291
_refine_ls_number_parameters     436
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_ref         0.0868
_refine_ls_wR_factor_gt          0.0843
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.002
_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
O8 O 1.1181(3) 0.6363(2) 1.09890(15) 0.0413(7) Uani 1 1 d . . . . .
O1W O 0.6359(3) 0.3100(3) 0.9609(2) 0.0714(11) Uani 1 1 d . . . . .
H1WA H 0.595625 0.305203 1.005565 0.107 Uiso 1 1 d R U . . .
H1WB H 0.699956 0.262656 0.944801 0.107 Uiso 1 1 d R U . . .
Tb1 Tb 0.77391(2) 0.47179(2) 0.99569(2) 0.02756(6) Uani 1 1 d . . . . .
O1 O 0.9071(3) 0.5565(2) 0.93838(15) 0.0414(7) Uani 1 1 d . . . . .
O2 O 1.1243(3) 0.6123(2) 0.92690(15) 0.0407(7) Uani 1 1 d . . . . .
O7 O 0.8937(3) 0.5876(2) 1.10519(14) 0.0388(7) Uani 1 1 d . . . . .
O4 O 0.4038(3) 0.5538(2) 0.10862(15) 0.0435(8) Uani 1 1 d . . . . .
O2W O 0.6660(3) 0.6235(2) 1.01438(19) 0.0652(10) Uani 1 1 d . . . . .
H2WA H 0.584998 0.625642 1.042431 0.098 Uiso 1 1 d R U . . .
H2WB H 0.636293 0.628488 0.964615 0.098 Uiso 1 1 d R U . . .
O3 O 0.5941(3) 0.4783(2) 0.07433(15) 0.0444(8) Uani 1 1 d . . . . .
O6 O 0.5521(3) 0.6356(3) 0.62590(17) 0.0635(10) Uani 1 1 d . . . . .
O5 O 0.9713(4) 0.6037(4) 0.43255(19) 0.0980(16) Uani 1 1 d . U . . .
O9 O 1.1286(5) 1.0433(3) 1.3860(2) 0.0951(15) Uani 1 1 d . . . . .
C2 C 0.9339(4) 0.6050(3) 0.8300(2) 0.0330(9) Uani 1 1 d . . . . .
C7 C 0.8019(4) 0.5625(3) 0.7918(2) 0.0432(11) Uani 1 1 d . . . . .
H7 H 0.745214 0.529289 0.814446 0.052 Uiso 1 1 calc R U . . .
C1 C 0.9907(4) 0.5899(3) 0.9038(2) 0.0310(9) Uani 1 1 d . . . . .
C6 C 0.7532(4) 0.5687(3) 0.7210(2) 0.0485(12) Uani 1 1 d . . . . .
H6 H 0.664476 0.538880 0.696210 0.058 Uiso 1 1 calc R U . . .
C5 C 0.8339(4) 0.6184(3) 0.6859(2) 0.0370(10) Uani 1 1 d . . . . .
C3 C 1.0131(4) 0.6567(3) 0.7967(2) 0.0407(11) Uani 1 1 d . . . . .
H3 H 1.101170 0.686859 0.822220 0.049 Uiso 1 1 calc R U . . .
C4 C 0.9648(4) 0.6648(3) 0.7268(2) 0.0423(11) Uani 1 1 d . . . . .
H4 H 1.019495 0.701449 0.706109 0.051 Uiso 1 1 calc R U . . .
C8 C 0.7919(4) 0.6173(3) 0.6055(2) 0.0388(10) Uani 1 1 d . . . . .
C13 C 0.6502(4) 0.6199(3) 0.5750(2) 0.0411(11) Uani 1 1 d . . . . .
C9 C 0.8955(4) 0.6113(3) 0.5558(2) 0.0459(12) Uani 1 1 d . . . . .
H9 H 0.989992 0.610675 0.574914 0.055 Uiso 1 1 calc R U . . .
C16 C 0.4158(5) 0.6602(5) 0.6019(3) 0.0807(19) Uani 1 1 d . . . . .
H16A H 0.358039 0.605274 0.566997 0.097 Uiso 1 1 calc R U . . .
H16B H 0.427759 0.704906 0.575067 0.097 Uiso 1 1 calc R U . . .
C20 C 0.6962(4) 0.5095(3) 0.2294(2) 0.0389(11) Uani 1 1 d . . . . .
H20 H 0.741766 0.468975 0.191364 0.047 Uiso 1 1 calc R U . . .
C21 C 0.5796(4) 0.5511(3) 0.2084(2) 0.0316(9) Uani 1 1 d . . . . .
C22 C 0.5173(4) 0.6143(3) 0.2656(2) 0.0371(10) Uani 1 1 d . . . . .
H22 H 0.440319 0.643407 0.251959 0.045 Uiso 1 1 calc R U . . .
C24 C 0.5224(4) 0.5263(3) 0.1242(2) 0.0345(10) Uani 1 1 d . . . . .
C18 C 0.6802(4) 0.5909(3) 0.3649(2) 0.0397(11) Uani 1 1 d . . . . .
C19 C 0.7450(4) 0.5283(3) 0.3070(2) 0.0419(11) Uani 1 1 d . . . . .
H19 H 0.821684 0.498959 0.320606 0.050 Uiso 1 1 calc R U . . .
C11 C 0.7239(4) 0.6043(3) 0.4479(2) 0.0377(10) Uani 1 1 d . . . . .
C10 C 0.8651(4) 0.6062(4) 0.4792(2) 0.0445(12) Uani 1 1 d . . . . .
C12 C 0.6190(4) 0.6120(3) 0.4978(2) 0.0417(11) Uani 1 1 d . . . . .
H12 H 0.524396 0.611863 0.478408 0.050 Uiso 1 1 calc R U . . .
C26 C 1.0081(4) 0.7178(3) 1.2080(2) 0.0353(10) Uani 1 1 d . . . . .
C25 C 1.0056(4) 0.6412(3) 1.1308(2) 0.0324(9) Uani 1 1 d . . . . .
C30 C 1.1285(5) 0.8461(3) 1.3134(3) 0.0538(13) Uani 1 1 d . . . . .
H30 H 1.211483 0.885280 1.335936 0.065 Uiso 1 1 calc R U . . .
C29 C 1.0076(5) 0.8599(3) 1.3496(2) 0.0474(12) Uani 1 1 d . . . . .
C32 C 1.0058(5) 0.9336(3) 1.4263(3) 0.0512(12) Uani 1 1 d . . . . .
C23 C 0.5677(4) 0.6348(3) 0.3426(2) 0.0414(11) Uani 1 1 d . . . . .
H23 H 0.525787 0.678762 0.380138 0.050 Uiso 1 1 calc R U . . .
C31 C 1.1294(4) 0.7740(3) 1.2431(2) 0.0476(12) Uani 1 1 d . . . . .
H31 H 1.213431 0.764544 1.220362 0.057 Uiso 1 1 calc R U . . .
C27 C 0.8860(5) 0.7317(3) 1.2448(2) 0.0496(12) Uani 1 1 d . . . . .
H27 H 0.802825 0.692986 1.221874 0.059 Uiso 1 1 calc R U . . .
C34 C 1.0682(6) 1.0229(4) 1.4442(3) 0.0609(15) Uani 1 1 d . . . . .
C28 C 0.8851(5) 0.8015(3) 1.3147(3) 0.0549(13) Uani 1 1 d . . . . .
H28 H 0.801945 0.809314 1.338362 0.066 Uiso 1 1 calc R U . . .
C15 C 1.1881(6) 0.6620(5) 0.4037(4) 0.103(2) Uani 1 1 d . . . . .
H15A H 1.127918 0.651804 0.356092 0.154 Uiso 1 1 calc R U . . .
H15B H 1.257741 0.617462 0.395510 0.154 Uiso 1 1 calc R U . . .
H15C H 1.235811 0.723919 0.421013 0.154 Uiso 1 1 calc R U . . .
C35 C 1.1918(9) 1.1306(5) 1.3978(4) 0.116(3) Uani 1 1 d . . . . .
H35A H 1.268040 1.147245 1.440412 0.139 Uiso 1 1 calc R U . . .
H35B H 1.122332 1.175982 1.410314 0.139 Uiso 1 1 calc R U . . .
C14 C 1.1007(7) 0.6511(6) 0.4627(4) 0.115(2) Uani 1 1 d . U . . .
H14A H 1.151859 0.618600 0.492744 0.138 Uiso 1 1 calc R U . . .
H14B H 1.087095 0.712377 0.497569 0.138 Uiso 1 1 calc R U . . .
C17 C 0.3443(7) 0.7019(5) 0.6731(4) 0.111(3) Uani 1 1 d . . . . .
H17A H 0.321584 0.654703 0.695437 0.166 Uiso 1 1 calc R U . . .
H17B H 0.258210 0.726308 0.659454 0.166 Uiso 1 1 calc R U . . .
H17C H 0.407496 0.751273 0.710009 0.166 Uiso 1 1 calc R U . . .
C33 C 0.9388(6) 0.9107(4) 1.4841(3) 0.0637(15) Uani 1 1 d . . . . .
H33 H 0.898704 0.850118 1.473949 0.076 Uiso 1 1 calc R U . . .
C36 C 1.2514(9) 1.1296(5) 1.3235(4) 0.139(3) Uani 1 1 d . . . . .
H36A H 1.292016 1.071892 1.301698 0.208 Uiso 1 1 calc R U . . .
H36B H 1.323882 1.180634 1.334898 0.208 Uiso 1 1 calc R U . . .
H36C H 1.175941 1.135687 1.287186 0.208 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
O8 C25 1.257(4) . ?
O8 Tb1 2.337(3) 2_767 ?
O1W Tb1 2.574(3) . ?
O1W H1WA 0.9600 . ?
O1W H1WB 0.9600 . ?
Tb1 O1 2.304(3) . ?
Tb1 O3 2.321(3) 1_556 ?
Tb1 O4 2.341(2) 2_666 ?
Tb1 O7 2.340(2) . ?
Tb1 O2 2.380(3) 2_767 ?
Tb1 O2W 2.516(3) . ?
O1 C1 1.244(5) . ?
O2 C1 1.283(4) . ?
O7 C25 1.249(5) . ?
O4 C24 1.259(4) . ?
O2W H2WA 0.9600 . ?
O2W H2WA 0.9600 . ?
O2W H2WB 0.9600 . ?
O3 C24 1.256(4) . ?
O6 C13 1.357(5) . ?
O6 C16 1.432(5) . ?
O5 C14 1.353(7) . ?
O5 C10 1.376(5) . ?
O9 C34 1.372(6) . ?
O9 C35 1.366(7) . ?
C2 C7 1.382(5) . ?
C2 C3 1.373(5) . ?
C2 C1 1.505(5) . ?
C7 C6 1.374(5) . ?
C7 H7 0.9300 . ?
C6 C5 1.384(6) . ?
C6 H6 0.9300 . ?
C5 C4 1.403(5) . ?
C5 C8 1.490(5) . ?
C3 C4 1.370(5) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C8 C9 1.389(5) . ?
C8 C13 1.409(5) . ?
C13 C12 1.388(5) . ?
C9 C10 1.387(5) . ?
C9 H9 0.9300 . ?
C16 C17 1.502(7) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C20 C19 1.389(5) . ?
C20 C21 1.387(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.382(5) . ?
C21 C24 1.508(5) . ?
C22 C23 1.378(5) . ?
C22 H22 0.9300 . ?
C18 C19 1.398(5) . ?
C18 C23 1.388(5) . ?
C18 C11 1.486(5) . ?
C19 H19 0.9300 . ?
C11 C10 1.398(5) . ?
C11 C12 1.399(5) . ?
C12 H12 0.9300 . ?
C26 C27 1.386(5) . ?
C26 C31 1.360(5) . ?
C26 C25 1.515(5) . ?
C30 C29 1.370(6) . ?
C30 C31 1.399(5) . ?
C30 H30 0.9300 . ?
C29 C28 1.382(6) . ?
C29 C32 1.493(6) . ?
C32 C34 1.373(6) . ?
C32 C33 1.414(7) . ?
C23 H23 0.9300 . ?
C31 H31 0.9300 . ?
C27 C28 1.378(5) . ?
C27 H27 0.9300 . ?
C34 C33 1.388(6) 2_778 ?
C28 H28 0.9300 . ?
C15 C14 1.470(8) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C35 C36 1.523(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C33 H33 0.9300 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 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
C25 O8 Tb1 138.9(3) . 2_767 ?
Tb1 O1W H1WA 109.2 . . ?
Tb1 O1W H1WB 109.5 . . ?
H1WA O1W H1WB 109.5 . . ?
O1 Tb1 O8 73.64(10) . 2_767 ?
O1 Tb1 O3 144.11(11) . 1_556 ?
O8 Tb1 O3 140.44(11) 2_767 1_556 ?
O1 Tb1 O4 86.86(10) . 2_666 ?
O8 Tb1 O4 81.68(9) 2_767 2_666 ?
O3 Tb1 O4 88.16(9) 1_556 2_666 ?
O1 Tb1 O7 79.39(10) . . ?
O8 Tb1 O7 125.64(9) 2_767 . ?
O3 Tb1 O7 83.53(9) 1_556 . ?
O4 Tb1 O7 142.97(10) 2_666 . ?
O1 Tb1 O2 123.59(9) . 2_767 ?
O8 Tb1 O2 81.30(10) 2_767 2_767 ?
O3 Tb1 O2 81.46(10) 1_556 2_767 ?
O4 Tb1 O2 138.42(11) 2_666 2_767 ?
O7 Tb1 O2 75.78(10) . 2_767 ?
O1 Tb1 O2W 72.45(11) . . ?
O8 Tb1 O2W 138.41(11) 2_767 . ?
O3 Tb1 O2W 72.09(11) 1_556 . ?
O4 Tb1 O2W 73.15(10) 2_666 . ?
O7 Tb1 O2W 69.95(10) . . ?
O2 Tb1 O2W 138.42(10) 2_767 . ?
O1 Tb1 O1W 139.30(11) . . ?
O8 Tb1 O1W 70.83(11) 2_767 . ?
O3 Tb1 O1W 69.82(11) 1_556 . ?
O4 Tb1 O1W 69.09(11) 2_666 . ?
O7 Tb1 O1W 138.59(11) . . ?
O2 Tb1 O1W 69.53(10) 2_767 . ?
O2W Tb1 O1W 126.18(10) . . ?
C1 O1 Tb1 169.9(3) . . ?
C1 O2 Tb1 114.5(3) . 2_767 ?
C25 O7 Tb1 144.0(3) . . ?
C24 O4 Tb1 140.0(3) . 2_666 ?
H2WA O2W Tb1 109.9 . . ?
H2WA O2W H2WA 0.0 . . ?
Tb1 O2W H2WA 109.9 . . ?
H2WA O2W H2WB 109.5 . . ?
Tb1 O2W H2WB 109.0 . . ?
H2WA O2W H2WB 109.5 . . ?
C24 O3 Tb1 149.0(3) . 1_554 ?
C13 O6 C16 117.8(3) . . ?
C14 O5 C10 120.3(4) . . ?
C34 O9 C35 120.7(4) . . ?
C7 C2 C3 118.3(3) . . ?
C7 C2 C1 120.0(4) . . ?
C3 C2 C1 121.6(3) . . ?
C2 C7 C6 121.1(4) . . ?
C2 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
O1 C1 O2 124.0(3) . . ?
O1 C1 C2 118.9(3) . . ?
O2 C1 C2 117.1(4) . . ?
C7 C6 C5 121.1(4) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C6 C5 C4 117.3(3) . . ?
C6 C5 C8 122.3(4) . . ?
C4 C5 C8 120.2(4) . . ?
C4 C3 C2 121.3(4) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 120.8(4) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C9 C8 C13 116.8(3) . . ?
C9 C8 C5 119.5(3) . . ?
C13 C8 C5 123.8(4) . . ?
O6 C13 C12 123.6(4) . . ?
O6 C13 C8 116.4(3) . . ?
C12 C13 C8 120.0(4) . . ?
C8 C9 C10 123.3(4) . . ?
C8 C9 H9 118.3 . . ?
C10 C9 H9 118.3 . . ?
O6 C16 C17 107.8(4) . . ?
O6 C16 H16A 110.2 . . ?
C17 C16 H16A 110.2 . . ?
O6 C16 H16B 110.2 . . ?
C17 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C19 C20 C21 120.2(4) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 119.0(3) . . ?
C22 C21 C24 121.2(3) . . ?
C20 C21 C24 119.8(4) . . ?
C21 C22 C23 120.9(4) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
O3 C24 O4 124.3(3) . . ?
O3 C24 C21 118.2(3) . . ?
O4 C24 C21 117.5(3) . . ?
C19 C18 C23 118.1(4) . . ?
C19 C18 C11 120.6(4) . . ?
C23 C18 C11 121.1(4) . . ?
C20 C19 C18 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C10 C11 C12 117.1(3) . . ?
C10 C11 C18 123.7(4) . . ?
C12 C11 C18 119.2(3) . . ?
C11 C10 C9 120.0(4) . . ?
C11 C10 O5 118.3(3) . . ?
C9 C10 O5 121.7(4) . . ?
C13 C12 C11 122.8(4) . . ?
C13 C12 H12 118.6 . . ?
C11 C12 H12 118.6 . . ?
C27 C26 C31 118.3(4) . . ?
C27 C26 C25 120.4(4) . . ?
C31 C26 C25 121.3(4) . . ?
O7 C25 O8 125.8(4) . . ?
O7 C25 C26 117.5(3) . . ?
O8 C25 C26 116.6(4) . . ?
C29 C30 C31 121.1(4) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 H30 119.4 . . ?
C30 C29 C28 118.5(4) . . ?
C30 C29 C32 122.1(4) . . ?
C28 C29 C32 119.4(4) . . ?
C34 C32 C33 117.8(4) . . ?
C34 C32 C29 123.2(4) . . ?
C33 C32 C29 119.0(4) . . ?
C22 C23 C18 120.9(4) . . ?
C22 C23 H23 119.6 . . ?
C18 C23 H23 119.6 . . ?
C26 C31 C30 120.4(4) . . ?
C26 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C26 C27 C28 121.5(4) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 H27 119.2 . . ?
O9 C34 C32 116.3(4) . . ?
O9 C34 C33 122.7(5) . 2_778 ?
C32 C34 C33 120.9(5) . 2_778 ?
C27 C28 C29 120.1(4) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O9 C35 C36 107.7(5) . . ?
O9 C35 H35A 110.2 . . ?
C36 C35 H35A 110.2 . . ?
O9 C35 H35B 110.2 . . ?
C36 C35 H35B 110.2 . . ?
H35A C35 H35B 108.5 . . ?
O5 C14 C15 113.4(6) . . ?
O5 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
O5 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C34 C33 C32 121.2(5) 2_778 . ?
C34 C33 H33 119.4 2_778 . ?
C32 C33 H33 119.4 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 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
C3 C2 C7 C6 2.5(7) . . . . ?
C1 C2 C7 C6 -174.3(4) . . . . ?
Tb1 O1 C1 O2 -69.2(16) . . . . ?
Tb1 O1 C1 C2 110.4(14) . . . . ?
Tb1 O2 C1 O1 26.1(5) 2_767 . . . ?
Tb1 O2 C1 C2 -153.5(3) 2_767 . . . ?
C7 C2 C1 O1 -15.4(6) . . . . ?
C3 C2 C1 O1 167.9(4) . . . . ?
C7 C2 C1 O2 164.3(4) . . . . ?
C3 C2 C1 O2 -12.4(6) . . . . ?
C2 C7 C6 C5 -0.7(8) . . . . ?
C7 C6 C5 C4 -2.2(7) . . . . ?
C7 C6 C5 C8 172.8(4) . . . . ?
C7 C2 C3 C4 -1.4(7) . . . . ?
C1 C2 C3 C4 175.4(4) . . . . ?
C2 C3 C4 C5 -1.5(7) . . . . ?
C6 C5 C4 C3 3.3(7) . . . . ?
C8 C5 C4 C3 -171.8(4) . . . . ?
C6 C5 C8 C9 -138.2(5) . . . . ?
C4 C5 C8 C9 36.6(7) . . . . ?
C6 C5 C8 C13 40.3(7) . . . . ?
C4 C5 C8 C13 -144.9(5) . . . . ?
C16 O6 C13 C12 -10.4(7) . . . . ?
C16 O6 C13 C8 165.8(5) . . . . ?
C9 C8 C13 O6 -173.3(4) . . . . ?
C5 C8 C13 O6 8.2(7) . . . . ?
C9 C8 C13 C12 3.1(7) . . . . ?
C5 C8 C13 C12 -175.4(4) . . . . ?
C13 C8 C9 C10 -1.2(7) . . . . ?
C5 C8 C9 C10 177.4(5) . . . . ?
C13 O6 C16 C17 -162.9(5) . . . . ?
C19 C20 C21 C22 2.9(6) . . . . ?
C19 C20 C21 C24 -176.7(4) . . . . ?
C20 C21 C22 C23 -1.3(6) . . . . ?
C24 C21 C22 C23 178.3(4) . . . . ?
Tb1 O3 C24 O4 94.1(6) 1_554 . . . ?
Tb1 O3 C24 C21 -87.4(6) 1_554 . . . ?
Tb1 O4 C24 O3 12.3(7) 2_666 . . . ?
Tb1 O4 C24 C21 -166.2(3) 2_666 . . . ?
C22 C21 C24 O3 170.7(4) . . . . ?
C20 C21 C24 O3 -9.7(6) . . . . ?
C22 C21 C24 O4 -10.7(6) . . . . ?
C20 C21 C24 O4 168.9(4) . . . . ?
C21 C20 C19 C18 -1.6(7) . . . . ?
C23 C18 C19 C20 -1.2(7) . . . . ?
C11 C18 C19 C20 174.4(4) . . . . ?
C19 C18 C11 C10 38.8(7) . . . . ?
C23 C18 C11 C10 -145.8(5) . . . . ?
C19 C18 C11 C12 -138.6(5) . . . . ?
C23 C18 C11 C12 36.8(6) . . . . ?
C12 C11 C10 C9 2.8(7) . . . . ?
C18 C11 C10 C9 -174.7(5) . . . . ?
C12 C11 C10 O5 -176.6(5) . . . . ?
C18 C11 C10 O5 5.9(7) . . . . ?
C8 C9 C10 C11 -1.8(8) . . . . ?
C8 C9 C10 O5 177.6(5) . . . . ?
C14 O5 C10 C11 145.4(6) . . . . ?
C14 O5 C10 C9 -34.0(9) . . . . ?
O6 C13 C12 C11 174.0(4) . . . . ?
C8 C13 C12 C11 -2.1(7) . . . . ?
C10 C11 C12 C13 -0.9(7) . . . . ?
C18 C11 C12 C13 176.7(4) . . . . ?
Tb1 O7 C25 O8 -13.4(8) . . . . ?
Tb1 O7 C25 C26 168.1(3) . . . . ?
Tb1 O8 C25 O7 -18.2(7) 2_767 . . . ?
Tb1 O8 C25 C26 160.3(3) 2_767 . . . ?
C27 C26 C25 O7 -5.2(6) . . . . ?
C31 C26 C25 O7 174.3(4) . . . . ?
C27 C26 C25 O8 176.1(4) . . . . ?
C31 C26 C25 O8 -4.4(6) . . . . ?
C31 C30 C29 C28 -0.7(8) . . . . ?
C31 C30 C29 C32 177.2(5) . . . . ?
C30 C29 C32 C34 44.6(8) . . . . ?
C28 C29 C32 C34 -137.5(6) . . . . ?
C30 C29 C32 C33 -134.4(5) . . . . ?
C28 C29 C32 C33 43.5(7) . . . . ?
C21 C22 C23 C18 -1.6(7) . . . . ?
C19 C18 C23 C22 2.8(7) . . . . ?
C11 C18 C23 C22 -172.7(4) . . . . ?
C27 C26 C31 C30 -2.3(7) . . . . ?
C25 C26 C31 C30 178.2(4) . . . . ?
C29 C30 C31 C26 2.1(8) . . . . ?
C31 C26 C27 C28 1.2(7) . . . . ?
C25 C26 C27 C28 -179.3(4) . . . . ?
C35 O9 C34 C32 179.2(6) . . . . ?
C35 O9 C34 C33 3.3(9) . . . 2_778 ?
C33 C32 C34 O9 -178.2(5) . . . . ?
C29 C32 C34 O9 2.8(8) . . . . ?
C33 C32 C34 C33 -2.2(9) . . . 2_778 ?
C29 C32 C34 C33 178.8(5) . . . 2_778 ?
C26 C27 C28 C29 0.2(8) . . . . ?
C30 C29 C28 C27 -0.4(8) . . . . ?
C32 C29 C28 C27 -178.4(5) . . . . ?
C34 O9 C35 C36 178.4(6) . . . . ?
C10 O5 C14 C15 -164.8(5) . . . . ?
C34 C32 C33 C34 2.2(9) . . . 2_778 ?
C29 C32 C33 C34 -178.8(5) . . . 2_778 ?

_refine_diff_density_max         1.731
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.124



