# Electronic Supplementary Material (ESI) for RSC Advances.
# 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. 
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data_aaad_sq
_audit_block_doi                 10.5517/ccdc.csd.cc27x028
_database_code_depnum_ccdc_archive 'CCDC 2082489'
loop_
_audit_author_name
_audit_author_address
'Wenling Feng'
;Chongqing University of Technology
China
;
_audit_update_record             
;
2021-05-08 deposited with the CCDC.	2022-01-24 downloaded from the CCDC.
;
_audit_creation_date             2020-10-27
_audit_creation_method           
;
Olex2 1.3
(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         'C15 H17 N2 O8 Tb'
_chemical_formula_sum            'C15 H17 N2 O8 Tb'
_chemical_formula_weight         512.22
_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 0.0148 0.0070 '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 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -4.4365 11.6657 '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                   18.6318(8)
_cell_length_b                   11.4451(5)
_cell_length_c                   19.7386(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.5040(10)
_cell_angle_gamma                90
_cell_volume                     4035.7(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      54.948
_cell_measurement_theta_min      3.991
_shelx_estimated_absorpt_T_max   0.602
_shelx_estimated_absorpt_T_min   0.315
_exptl_absorpt_coefficient_mu    18.804
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.3957
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1526 before and 0.0796 after correction.
The Ratio of minimum to maximum transmission is 0.5270.
The λ/2 correction factor is Not present.
;
_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    1.686
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15934
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.948
_diffrn_reflns_theta_min         3.991
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.1993706
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3415
_reflns_number_total             3746
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.504
_refine_diff_density_min         -2.022
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3746
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0395
_refine_ls_restrained_S_all      1.098
_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)+(0.0606P)²+26.3961P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1101
_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
C3 \\sim N2 \\sim C00Q \\sim C00N \\sim O007: within 1.7A with sigma of 0.004
and sigma for terminal atoms of 0.008 within 1.7A
3.a Riding coordinates:
 C3(H3A,H3B,H3C)
3.b Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00E(H00E), C00H(H00H), C00M(H00M), C00N(H00N)
3.c Idealised Me refined as rotating group:
 C00O(H00A,H00B,H00D), C00P(H00F,H00G,H00I), C00Q(H00J,H00K,H00L)
;
_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
Tb01 Tb 0.57495(2) 0.67245(2) 0.58291(2) 0.01642(12) Uani 1 1 d . . . . .
O002 O 0.4310(2) 0.6486(3) 0.7958(2) 0.0224(8) Uani 1 1 d . . . . .
O003 O 0.3833(2) 0.4694(3) 0.48165(19) 0.0224(8) Uani 1 1 d . . . . .
O004 O 0.4734(2) 0.5527(4) 0.5662(2) 0.0318(10) Uani 1 1 d . . . . .
O005 O 0.3459(2) 0.5477(4) 0.8294(2) 0.0320(10) Uani 1 1 d . . . . .
O006 O 0.1553(3) 0.3210(4) 0.6520(3) 0.0381(12) Uani 1 1 d . . . . .
O007 O 0.4802(3) 0.8078(4) 0.5894(3) 0.0375(10) Uani 1 1 d . U . . .
O008 O 0.5167(3) 0.7329(5) 0.4661(2) 0.0394(11) Uani 1 1 d . . . . .
O009 O 0.1738(3) 0.2753(5) 0.5512(2) 0.0464(14) Uani 1 1 d . . . . .
C00A C 0.3764(3) 0.5776(5) 0.7823(3) 0.0194(11) Uani 1 1 d . . . . .
N00B N 0.4132(4) 0.8031(6) 0.3885(4) 0.0464(15) Uani 1 1 d . . . . .
C00C C 0.2846(3) 0.4594(5) 0.6919(3) 0.0194(11) Uani 1 1 d . . . . .
H00C H 0.257028 0.448151 0.725124 0.023 Uiso 1 1 calc R U . . .
C00D C 0.3651(3) 0.4918(5) 0.5948(3) 0.0189(11) Uani 1 1 d . . . . .
C00E C 0.3895(3) 0.5432(5) 0.6617(3) 0.0189(11) Uani 1 1 d . . . . .
H00E H 0.433738 0.589109 0.674086 0.023 Uiso 1 1 calc R U . . .
C00F C 0.4103(3) 0.5056(5) 0.5432(3) 0.0206(11) Uani 1 1 d . . . . .
N2 N 0.3792(4) 0.8606(7) 0.6224(4) 0.0498(13) Uani 1 1 d . U . . .
C00H C 0.3011(3) 0.4233(5) 0.5771(3) 0.0202(11) Uani 1 1 d . . . . .
H00H H 0.285236 0.386915 0.532043 0.024 Uiso 1 1 calc R U . . .
C00I C 0.2599(3) 0.4079(5) 0.6256(3) 0.0211(11) Uani 1 1 d . . . . .
C00J C 0.3488(3) 0.5269(5) 0.7101(3) 0.0188(11) Uani 1 1 d . . . . .
C00K C 0.1927(3) 0.3294(5) 0.6084(3) 0.0223(13) Uani 1 1 d . . . . .
C00M C 0.4534(4) 0.7191(6) 0.4242(4) 0.0356(15) Uani 1 1 d . . . . .
H00M H 0.433186 0.642306 0.418048 0.043 Uiso 1 1 calc R U . . .
C00N C 0.4476(4) 0.8224(6) 0.6348(4) 0.0376(13) Uani 1 1 d . U . . .
H00N H 0.474061 0.804457 0.682330 0.045 Uiso 1 1 calc R U . . .
C00O C 0.4379(6) 0.9249(8) 0.4003(6) 0.072(3) Uani 1 1 d . . . . .
H00A H 0.415594 0.960780 0.434612 0.107 Uiso 1 1 calc R U . . .
H00B H 0.422037 0.967849 0.355577 0.107 Uiso 1 1 calc R U . . .
H00D H 0.492585 0.927379 0.418609 0.107 Uiso 1 1 calc R U . . .
C00P C 0.3406(5) 0.7798(11) 0.3383(6) 0.086(4) Uani 1 1 d . . . . .
H00F H 0.332453 0.695255 0.333744 0.129 Uiso 1 1 calc R U . . .
H00G H 0.339367 0.812866 0.292196 0.129 Uiso 1 1 calc R U . . .
H00I H 0.301151 0.815687 0.355259 0.129 Uiso 1 1 calc R U . . .
C00Q C 0.3449(5) 0.8766(9) 0.6794(5) 0.061(2) Uani 1 1 d . U . . .
H00J H 0.302251 0.823258 0.672645 0.091 Uiso 1 1 calc R U . . .
H00K H 0.327485 0.957422 0.679236 0.091 Uiso 1 1 calc R U . . .
H00L H 0.381756 0.859810 0.724733 0.091 Uiso 1 1 calc R U . . .
C3 C 0.3363(6) 0.8951(13) 0.5516(6) 0.097(3) Uani 1 1 d . U . . .
H3A H 0.359250 0.964128 0.536999 0.145 Uiso 1 1 d R U . . .
H3B H 0.284850 0.913388 0.551319 0.145 Uiso 1 1 d R U . . .
H3C H 0.335900 0.830738 0.518719 0.145 Uiso 1 1 d 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
Tb01 O002 2.443(4) 2_656 ?
Tb01 O003 2.330(4) 5_666 ?
Tb01 O004 2.283(4) . ?
Tb01 O005 2.399(4) 2_656 ?
Tb01 O006 2.415(4) 3 ?
Tb01 O007 2.379(5) . ?
Tb01 O008 2.356(4) . ?
Tb01 O009 2.413(4) 3 ?
Tb01 C00A 2.777(5) 2_656 ?
Tb01 C00K 2.769(5) 3 ?
O002 C00A 1.269(7) . ?
O003 C00F 1.246(7) . ?
O004 C00F 1.255(6) . ?
O005 C00A 1.268(7) . ?
O006 C00K 1.257(7) . ?
O007 C00N 1.230(8) . ?
O008 C00M 1.243(8) . ?
O009 C00K 1.247(7) . ?
C00A C00J 1.488(7) . ?
N00B C00M 1.298(9) . ?
N00B C00O 1.465(10) . ?
N00B C00P 1.456(11) . ?
C00C H00C 0.9500 . ?
C00C C00I 1.389(8) . ?
C00C C00J 1.383(7) . ?
C00D C00E 1.399(8) . ?
C00D C00F 1.504(7) . ?
C00D C00H 1.386(7) . ?
C00E H00E 0.9500 . ?
C00E C00J 1.390(7) . ?
N2 C00N 1.303(9) . ?
N2 C00Q 1.455(10) . ?
N2 C3 1.453(12) . ?
C00H H00H 0.9500 . ?
C00H C00I 1.398(7) . ?
C00I C00K 1.499(7) . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9500 . ?
C00O H00A 0.9800 . ?
C00O H00B 0.9800 . ?
C00O H00D 0.9800 . ?
C00P H00F 0.9800 . ?
C00P H00G 0.9800 . ?
C00P H00I 0.9800 . ?
C00Q H00J 0.9800 . ?
C00Q H00K 0.9800 . ?
C00Q H00L 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9799 . ?
C3 H3C 0.9801 . ?

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
O002 Tb01 C00A 27.19(14) 2_656 2_656 ?
O002 Tb01 C00K 98.55(16) 2_656 3 ?
O003 Tb01 O002 124.98(13) 5_666 2_656 ?
O003 Tb01 O005 75.38(14) 5_666 2_656 ?
O003 Tb01 O006 123.36(15) 5_666 3 ?
O003 Tb01 O007 148.35(16) 5_666 . ?
O003 Tb01 O008 78.57(16) 5_666 . ?
O003 Tb01 O009 78.45(15) 5_666 3 ?
O003 Tb01 C00A 100.55(15) 5_666 2_656 ?
O003 Tb01 C00K 100.42(15) 5_666 3 ?
O004 Tb01 O002 78.95(14) . 2_656 ?
O004 Tb01 O003 83.94(14) . 5_666 ?
O004 Tb01 O005 93.55(17) . 2_656 ?
O004 Tb01 O006 149.27(14) . 3 ?
O004 Tb01 O007 78.56(18) . . ?
O004 Tb01 O008 84.38(17) . . ?
O004 Tb01 O009 156.56(14) . 3 ?
O004 Tb01 C00A 86.31(15) . 2_656 ?
O004 Tb01 C00K 175.63(16) . 3 ?
O005 Tb01 O002 54.30(12) 2_656 2_656 ?
O005 Tb01 O006 81.73(18) 2_656 3 ?
O005 Tb01 O009 96.81(18) 2_656 3 ?
O005 Tb01 C00A 27.12(14) 2_656 2_656 ?
O005 Tb01 C00K 87.82(17) 2_656 3 ?
O006 Tb01 O002 73.65(14) 3 2_656 ?
O006 Tb01 C00A 75.69(16) 3 2_656 ?
O006 Tb01 C00K 26.96(16) 3 3 ?
O007 Tb01 O002 77.26(15) . 2_656 ?
O007 Tb01 O005 131.47(15) . 2_656 ?
O007 Tb01 O006 82.02(18) . 3 ?
O007 Tb01 O009 109.21(19) . 3 ?
O007 Tb01 C00A 104.37(16) . 2_656 ?
O007 Tb01 C00K 97.43(18) . 3 ?
O008 Tb01 O002 148.79(15) . 2_656 ?
O008 Tb01 O005 153.94(16) . 2_656 ?
O008 Tb01 O006 112.66(18) . 3 ?
O008 Tb01 O007 73.66(17) . . ?
O008 Tb01 O009 77.10(17) . 3 ?
O008 Tb01 C00A 170.68(16) . 2_656 ?
O008 Tb01 C00K 96.21(17) . 3 ?
O009 Tb01 O002 123.97(14) 3 2_656 ?
O009 Tb01 O006 53.61(14) 3 3 ?
O009 Tb01 C00A 111.93(17) 3 2_656 ?
O009 Tb01 C00K 26.73(16) 3 3 ?
C00K Tb01 C00A 93.07(17) 3 2_656 ?
C00A O002 Tb01 91.2(3) . 2_656 ?
C00F O003 Tb01 131.2(4) . 5_666 ?
C00F O004 Tb01 164.3(4) . . ?
C00A O005 Tb01 93.3(3) . 2_656 ?
C00K O006 Tb01 92.4(3) . 3_445 ?
C00N O007 Tb01 131.0(5) . . ?
C00M O008 Tb01 134.4(4) . . ?
C00K O009 Tb01 92.8(3) . 3_445 ?
O002 C00A Tb01 61.6(3) . 2_656 ?
O002 C00A C00J 119.3(5) . . ?
O005 C00A Tb01 59.6(3) . 2_656 ?
O005 C00A O002 121.2(5) . . ?
O005 C00A C00J 119.5(5) . . ?
C00J C00A Tb01 178.9(4) . 2_656 ?
C00M N00B C00O 120.8(7) . . ?
C00M N00B C00P 121.0(7) . . ?
C00P N00B C00O 118.1(8) . . ?
C00I C00C H00C 119.6 . . ?
C00J C00C H00C 119.6 . . ?
C00J C00C C00I 120.9(5) . . ?
C00E C00D C00F 120.1(5) . . ?
C00H C00D C00E 120.0(5) . . ?
C00H C00D C00F 119.8(5) . . ?
C00D C00E H00E 120.0 . . ?
C00J C00E C00D 119.9(5) . . ?
C00J C00E H00E 120.0 . . ?
O003 C00F O004 125.0(5) . . ?
O003 C00F C00D 118.4(5) . . ?
O004 C00F C00D 116.6(5) . . ?
C00N N2 C00Q 121.2(7) . . ?
C00N N2 C3 120.9(7) . . ?
C3 N2 C00Q 117.9(7) . . ?
C00D C00H H00H 120.0 . . ?
C00D C00H C00I 120.0(5) . . ?
C00I C00H H00H 120.0 . . ?
C00C C00I C00H 119.4(5) . . ?
C00C C00I C00K 120.0(5) . . ?
C00H C00I C00K 120.4(5) . . ?
C00C C00J C00A 120.4(5) . . ?
C00C C00J C00E 119.7(5) . . ?
C00E C00J C00A 119.9(5) . . ?
O006 C00K Tb01 60.6(3) . 3_445 ?
O006 C00K C00I 118.8(5) . . ?
O009 C00K Tb01 60.5(3) . 3_445 ?
O009 C00K O006 120.9(5) . . ?
O009 C00K C00I 120.4(5) . . ?
C00I C00K Tb01 175.8(4) . 3_445 ?
O008 C00M N00B 124.0(7) . . ?
O008 C00M H00M 118.0 . . ?
N00B C00M H00M 118.0 . . ?
O007 C00N N2 124.6(8) . . ?
O007 C00N H00N 117.7 . . ?
N2 C00N H00N 117.7 . . ?
N00B C00O H00A 109.5 . . ?
N00B C00O H00B 109.5 . . ?
N00B C00O H00D 109.5 . . ?
H00A C00O H00B 109.5 . . ?
H00A C00O H00D 109.5 . . ?
H00B C00O H00D 109.5 . . ?
N00B C00P H00F 109.5 . . ?
N00B C00P H00G 109.5 . . ?
N00B C00P H00I 109.5 . . ?
H00F C00P H00G 109.5 . . ?
H00F C00P H00I 109.5 . . ?
H00G C00P H00I 109.5 . . ?
N2 C00Q H00J 109.5 . . ?
N2 C00Q H00K 109.5 . . ?
N2 C00Q H00L 109.5 . . ?
H00J C00Q H00K 109.5 . . ?
H00J C00Q H00L 109.5 . . ?
H00K C00Q H00L 109.5 . . ?
N2 C3 H3A 109.6 . . ?
N2 C3 H3B 109.5 . . ?
N2 C3 H3C 109.4 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 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
Tb01 O002 C00A O005 -1.9(5) 2_656 . . . ?
Tb01 O002 C00A C00J 179.2(4) 2_656 . . . ?
Tb01 O003 C00F O004 60.4(8) 5_666 . . . ?
Tb01 O003 C00F C00D -119.2(5) 5_666 . . . ?
Tb01 O004 C00F O003 56.4(17) . . . . ?
Tb01 O004 C00F C00D -124.1(12) . . . . ?
Tb01 O005 C00A O002 2.0(6) 2_656 . . . ?
Tb01 O005 C00A C00J -179.2(4) 2_656 . . . ?
Tb01 O006 C00K O009 5.9(7) 3_445 . . . ?
Tb01 O006 C00K C00I -175.3(5) 3_445 . . . ?
Tb01 O007 C00N N2 -149.8(6) . . . . ?
Tb01 O008 C00M N00B 131.6(7) . . . . ?
Tb01 O009 C00K O006 -5.9(7) 3_445 . . . ?
Tb01 O009 C00K C00I 175.3(5) 3_445 . . . ?
O002 C00A C00J C00C -173.0(5) . . . . ?
O002 C00A C00J C00E 9.7(8) . . . . ?
O005 C00A C00J C00C 8.1(8) . . . . ?
O005 C00A C00J C00E -169.1(5) . . . . ?
C00C C00I C00K O006 7.1(9) . . . . ?
C00C C00I C00K O009 -174.0(6) . . . . ?
C00D C00E C00J C00A 177.6(5) . . . . ?
C00D C00E C00J C00C 0.3(8) . . . . ?
C00D C00H C00I C00C -1.5(8) . . . . ?
C00D C00H C00I C00K -177.1(5) . . . . ?
C00E C00D C00F O003 -172.6(5) . . . . ?
C00E C00D C00F O004 7.8(8) . . . . ?
C00E C00D C00H C00I 1.5(8) . . . . ?
C00F C00D C00E C00J -177.8(5) . . . . ?
C00F C00D C00H C00I 178.4(5) . . . . ?
C00H C00D C00E C00J -1.0(8) . . . . ?
C00H C00D C00F O003 10.6(8) . . . . ?
C00H C00D C00F O004 -169.1(5) . . . . ?
C00H C00I C00K O006 -177.3(6) . . . . ?
C00H C00I C00K O009 1.5(9) . . . . ?
C00I C00C C00J C00A -177.5(5) . . . . ?
C00I C00C C00J C00E -0.3(8) . . . . ?
C00J C00C C00I C00H 0.8(8) . . . . ?
C00J C00C C00I C00K 176.4(5) . . . . ?
C00O N00B C00M O008 -5.7(13) . . . . ?
C00P N00B C00M O008 177.6(8) . . . . ?
C00Q N2 C00N O007 -179.3(8) . . . . ?
C3 N2 C00N O007 -2.9(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
