# Electronic Supplementary Material (ESI) for ChemComm.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2131524'
loop_
_audit_author_name
_audit_author_address
'Xinhui Zhou'
;Nanjing University of Posts and Telecommunications
China
;
_audit_update_record             
;
2021-12-29 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H27 N2 O8 Tb'
_chemical_formula_weight         690.44

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'
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'

_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                   9.397(4)
_cell_length_b                   10.471(5)
_cell_length_c                   15.004(7)
_cell_angle_alpha                73.416(10)
_cell_angle_beta                 78.485(10)
_cell_angle_gamma                66.927(9)
_cell_volume                     1295.3(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2416
_cell_measurement_theta_min      1.9
_cell_measurement_theta_max      21.8

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    2.787
_shelx_estimated_absorpt_T_min   0.713
_shelx_estimated_absorpt_T_max   0.749
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS; Bruker, 2008'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9582
_diffrn_reflns_av_unetI/netI     0.0438
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.172
_diffrn_reflns_theta_max         26.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             5286
_reflns_number_gt                5161
_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.
 
 _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       'SMART (Bruker, 2008)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_solution    'SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2008)'
_computing_publication_material  'SHELXTL (Bruker, 2008)'
_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)+(0.1000P)²+0.0100P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0100(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5286
_refine_ls_number_parameters     362
_refine_ls_number_restraints     678
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0446
_refine_ls_wR_factor_ref         0.1533
_refine_ls_wR_factor_gt          0.1520
_refine_ls_goodness_of_fit_ref   1.371
_refine_ls_restrained_S_all      1.469
_refine_ls_shift/su_max          0.005
_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
Tb1 Tb 0.31263(2) 0.63003(2) 1.13962(2) 0.01291(16) Uani 1 1 d . . . . .
C1 C 0.3534(6) 0.6584(6) 0.9086(4) 0.0199(8) Uani 1 1 d . U . . .
C2 C 0.2929(6) 0.7965(5) 0.8370(4) 0.0177(8) Uani 1 1 d . U . . .
C3 C 0.1546(6) 0.9046(6) 0.8586(3) 0.0156(8) Uani 1 1 d . U . . .
H3 H 0.0999 0.8926 0.9191 0.019 Uiso 1 1 calc R U . . .
C4 C 0.0982(6) 1.0290(5) 0.7912(4) 0.0174(8) Uani 1 1 d . U . . .
C5 C -0.0486(6) 1.1445(6) 0.8134(4) 0.0201(9) Uani 1 1 d . U . . .
C6 C 0.1823(6) 1.0488(5) 0.7031(4) 0.0209(8) Uani 1 1 d . U . . .
H6 H 0.1437 1.1351 0.6577 0.025 Uiso 1 1 calc R U . . .
C7 C 0.3740(5) 0.8174(5) 0.7492(4) 0.0192(8) Uani 1 1 d . U . . .
H7 H 0.4678 0.7438 0.7349 0.023 Uiso 1 1 calc R U . . .
C8 C 0.3214(6) 0.9436(5) 0.6814(3) 0.0202(8) Uani 1 1 d . U . . .
C9 C 0.4131(5) 0.9695(5) 0.5881(3) 0.0198(8) Uani 1 1 d . U . . .
C10 C 0.3660(6) 0.9662(5) 0.5070(4) 0.0222(8) Uani 1 1 d . U . . .
C11 C 0.2333(7) 0.9284(6) 0.5084(4) 0.0281(9) Uani 1 1 d . U . . .
H11 H 0.1739 0.9090 0.5663 0.034 Uiso 1 1 calc R U . . .
C12 C 0.1914(7) 0.9199(7) 0.4307(4) 0.0321(10) Uani 1 1 d . U . . .
H12 H 0.1050 0.8922 0.4345 0.039 Uiso 1 1 calc R U . . .
C13 C 0.2753(7) 0.9517(7) 0.3426(4) 0.0319(10) Uani 1 1 d . U . . .
H13 H 0.2449 0.9459 0.2876 0.038 Uiso 1 1 calc R U . . .
C14 C 0.4008(7) 0.9911(6) 0.3375(4) 0.0295(10) Uani 1 1 d . U . . .
H14 H 0.4539 1.0150 0.2779 0.035 Uiso 1 1 calc R U . . .
C15 C 0.4528(6) 0.9973(6) 0.4161(4) 0.0244(9) Uani 1 1 d . U . . .
C16 C 0.4204(9) 0.5526(8) 1.3122(5) 0.0382(11) Uani 1 1 d . U . . .
C17 C 0.4607(7) 0.5241(7) 1.4095(4) 0.0349(12) Uani 1 1 d . U . . .
C18 C 0.5336(8) 0.6072(7) 1.4299(5) 0.0385(12) Uani 1 1 d . U . . .
H18 H 0.5562 0.6804 1.3819 0.046 Uiso 1 1 calc R U . . .
C19 C 0.5719(8) 0.5820(7) 1.5197(5) 0.0371(12) Uani 1 1 d . U . . .
H19 H 0.6208 0.6379 1.5327 0.045 Uiso 1 1 calc R U . . .
C20 C 0.0821(12) 0.4414(11) 1.2340(8) 0.0691(16) Uani 1 1 d . U . . .
C21 C 0.0995(14) 0.3877(13) 1.3348(8) 0.0864(17) Uani 1 1 d D U . . .
H21A H 0.0873 0.4673 1.3623 0.104 Uiso 1 1 calc R U . . .
H21B H 0.2050 0.3156 1.3441 0.104 Uiso 1 1 calc R U . . .
C22 C -0.0179(14) 0.3230(14) 1.3826(8) 0.0896(19) Uani 1 1 d D U . . .
H22A H 0.0330 0.2222 1.4145 0.107 Uiso 1 1 calc R U . . .
H22B H -0.0873 0.3756 1.4295 0.107 Uiso 1 1 calc R U . . .
C23 C -0.1026(14) 0.3326(15) 1.3118(8) 0.0875(19) Uani 1 1 d D U . . .
H23A H -0.0792 0.2380 1.2995 0.105 Uiso 1 1 calc R U . . .
H23B H -0.2160 0.3773 1.3271 0.105 Uiso 1 1 calc R U . . .
C24 C -0.1420(14) 0.4922(13) 1.1611(8) 0.090(2) Uani 1 1 d D U . . .
H24A H -0.1219 0.5784 1.1245 0.136 Uiso 1 1 d R U . . .
H24B H -0.2482 0.5189 1.1920 0.136 Uiso 1 1 d R U . . .
H24C H -0.1297 0.4307 1.1195 0.136 Uiso 1 1 d R U . . .
C25 C 0.5899(10) 0.7740(10) 1.0177(7) 0.0583(13) Uani 1 1 d . U . . .
C26 C 0.6828(11) 0.7485(11) 0.9290(7) 0.0660(13) Uani 1 1 d . U . . .
H26A H 0.6169 0.7958 0.8765 0.079 Uiso 1 1 calc R U . . .
H26B H 0.7297 0.6450 0.9313 0.079 Uiso 1 1 calc R U . . .
C27 C 0.8087(14) 0.8109(12) 0.9166(7) 0.0795(16) Uani 1 1 d D U . . .
H27A H 0.9110 0.7411 0.8997 0.095 Uiso 1 1 calc R U . . .
H27B H 0.7875 0.8981 0.8655 0.095 Uiso 1 1 calc R U . . .
C28 C 0.8117(12) 0.8453(12) 1.0028(7) 0.0714(15) Uani 1 1 d D U . . .
H28A H 0.8995 0.7755 1.0384 0.086 Uiso 1 1 calc R U . . .
H28B H 0.8099 0.9434 0.9936 0.086 Uiso 1 1 calc R U . . .
C29 C 0.5980(13) 0.8935(12) 1.1354(8) 0.0787(17) Uani 1 1 d . U . . .
H29A H 0.4935 0.8901 1.1562 0.118 Uiso 1 1 d R U . . .
H29B H 0.5934 0.9920 1.1233 0.118 Uiso 1 1 d R U . . .
H29C H 0.6671 0.8332 1.1842 0.118 Uiso 1 1 d R U . . .
N1 N -0.0455(11) 0.4200(10) 1.2370(7) 0.0668(19) Uani 1 1 d D U . . .
N2 N 0.6688(12) 0.8309(12) 1.0419(8) 0.070(2) Uani 1 1 d . U . . .
O1 O 0.2743(4) 0.6444(4) 0.9875(2) 0.0171(7) Uani 1 1 d . . . . .
O2 O 0.4759(5) 0.5655(4) 0.8854(3) 0.0255(9) Uani 1 1 d . . . . .
O3 O -0.1171(5) 1.1356(4) 0.8955(3) 0.0323(9) Uani 1 1 d . . . . .
O4 O -0.1072(7) 1.2494(6) 0.7495(3) 0.0624(19) Uani 1 1 d . . . . .
O5 O 0.4564(6) 0.6444(6) 1.2484(3) 0.0474(12) Uani 1 1 d . . . . .
O6 O 0.3497(5) 0.4819(4) 1.2992(3) 0.0286(8) Uani 1 1 d . . . . .
O7 O 0.1361(6) 0.5138(7) 1.1664(4) 0.0550(14) Uani 1 1 d . U . . .
O8 O 0.4668(5) 0.7625(5) 1.0505(3) 0.0325(9) 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 O2 2.288(4) 2_667 ?
Tb1 O7 2.331(4) . ?
Tb1 O1 2.335(4) . ?
Tb1 O8 2.356(4) . ?
Tb1 O5 2.386(5) . ?
Tb1 O3 2.406(4) 2_577 ?
Tb1 O6 2.460(4) . ?
Tb1 O4 2.469(4) 2_577 ?
Tb1 C16 2.756(7) . ?
Tb1 C5 2.808(6) 2_577 ?
C1 O2 1.245(7) . ?
C1 O1 1.268(6) . ?
C1 C2 1.511(7) . ?
C2 C7 1.389(7) . ?
C2 C3 1.401(6) . ?
C3 C4 1.386(7) . ?
C3 H3 0.9500 . ?
C4 C6 1.404(7) . ?
C4 C5 1.489(7) . ?
C5 O4 1.251(7) . ?
C5 O3 1.267(7) . ?
C5 Tb1 2.808(6) 2_577 ?
C6 C8 1.391(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.503(6) . ?
C9 C10 1.389(8) . ?
C9 C15 1.418(7) 2_676 ?
C10 C11 1.443(8) . ?
C10 C15 1.463(7) . ?
C11 C12 1.340(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.420(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.376(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(8) . ?
C14 H14 0.9500 . ?
C15 C9 1.418(7) 2_676 ?
C16 O6 1.244(8) . ?
C16 O5 1.247(8) . ?
C16 C17 1.499(9) . ?
C17 C19 1.385(9) 2_668 ?
C17 C18 1.423(9) . ?
C18 C19 1.390(9) . ?
C18 H18 0.9500 . ?
C19 C17 1.385(9) 2_668 ?
C19 H19 0.9500 . ?
C20 O7 1.232(11) . ?
C20 N1 1.294(13) . ?
C20 C21 1.473(16) . ?
C21 C22 1.478(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.410(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 N1 1.394(14) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 N1 1.440(9) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 O8 1.201(9) . ?
C25 N2 1.269(13) . ?
C25 C26 1.470(13) . ?
C26 C27 1.521(14) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.447(9) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 N2 1.401(13) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 N2 1.629(15) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O2 Tb1 2.288(4) 2_667 ?
O3 Tb1 2.407(4) 2_577 ?
O4 Tb1 2.469(4) 2_577 ?

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
O2 Tb1 O7 94.2(2) 2_667 . ?
O2 Tb1 O1 82.72(13) 2_667 . ?
O7 Tb1 O1 78.23(16) . . ?
O2 Tb1 O8 85.18(16) 2_667 . ?
O7 Tb1 O8 156.5(2) . . ?
O1 Tb1 O8 78.42(14) . . ?
O2 Tb1 O5 86.07(18) 2_667 . ?
O7 Tb1 O5 128.91(18) . . ?
O1 Tb1 O5 151.44(15) . . ?
O8 Tb1 O5 74.51(16) . . ?
O2 Tb1 O3 158.44(15) 2_667 2_577 ?
O7 Tb1 O3 93.9(2) . 2_577 ?
O1 Tb1 O3 79.42(14) . 2_577 ?
O8 Tb1 O3 79.50(15) . 2_577 ?
O5 Tb1 O3 104.13(18) . 2_577 ?
O2 Tb1 O6 77.96(14) 2_667 . ?
O7 Tb1 O6 76.49(17) . . ?
O1 Tb1 O6 146.73(12) . . ?
O8 Tb1 O6 125.93(14) . . ?
O5 Tb1 O6 53.57(16) . . ?
O3 Tb1 O6 123.42(13) 2_577 . ?
O2 Tb1 O4 148.49(15) 2_667 2_577 ?
O7 Tb1 O4 77.0(2) . 2_577 ?
O1 Tb1 O4 123.68(17) . 2_577 ?
O8 Tb1 O4 114.7(2) . 2_577 ?
O5 Tb1 O4 76.9(2) . 2_577 ?
O3 Tb1 O4 53.05(14) 2_577 2_577 ?
O6 Tb1 O4 70.58(14) . 2_577 ?
O2 Tb1 C16 82.86(19) 2_667 . ?
O7 Tb1 C16 102.4(2) . . ?
O1 Tb1 C16 165.57(18) . . ?
O8 Tb1 C16 100.81(18) . . ?
O5 Tb1 C16 26.85(18) . . ?
O3 Tb1 C16 114.76(18) 2_577 . ?
O6 Tb1 C16 26.84(17) . . ?
O4 Tb1 C16 69.9(2) 2_577 . ?
O2 Tb1 C5 174.81(15) 2_667 2_577 ?
O7 Tb1 C5 83.3(2) . 2_577 ?
O1 Tb1 C5 101.16(14) . 2_577 ?
O8 Tb1 C5 98.92(16) . 2_577 ?
O5 Tb1 C5 91.95(18) . 2_577 ?
O3 Tb1 C5 26.72(15) 2_577 2_577 ?
O6 Tb1 C5 97.01(15) . 2_577 ?
O4 Tb1 C5 26.44(16) 2_577 2_577 ?
C16 Tb1 C5 93.21(19) . 2_577 ?
O2 C1 O1 124.7(5) . . ?
O2 C1 C2 117.5(5) . . ?
O1 C1 C2 117.7(5) . . ?
C7 C2 C3 119.5(5) . . ?
C7 C2 C1 120.3(4) . . ?
C3 C2 C1 120.2(4) . . ?
C4 C3 C2 119.5(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C6 120.2(5) . . ?
C3 C4 C5 120.0(5) . . ?
C6 C4 C5 119.7(5) . . ?
O4 C5 O3 119.8(5) . . ?
O4 C5 C4 119.4(5) . . ?
O3 C5 C4 120.8(5) . . ?
O4 C5 Tb1 61.5(3) . 2_577 ?
O3 C5 Tb1 58.7(3) . 2_577 ?
C4 C5 Tb1 175.8(4) . 2_577 ?
C8 C6 C4 120.8(5) . . ?
C8 C6 H6 119.6 . . ?
C4 C6 H6 119.6 . . ?
C2 C7 C8 121.7(4) . . ?
C2 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C6 C8 C7 118.2(4) . . ?
C6 C8 C9 120.0(4) . . ?
C7 C8 C9 121.8(4) . . ?
C10 C9 C15 120.2(4) . 2_676 ?
C10 C9 C8 121.4(4) . . ?
C15 C9 C8 118.4(5) 2_676 . ?
C9 C10 C11 122.0(5) . . ?
C9 C10 C15 120.9(5) . . ?
C11 C10 C15 117.1(5) . . ?
C12 C11 C10 122.0(5) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C13 120.5(5) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C14 C13 C12 119.6(6) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C15 122.5(5) . . ?
C13 C14 H14 118.7 . . ?
C15 C14 H14 118.7 . . ?
C14 C15 C9 122.8(5) . 2_676 ?
C14 C15 C10 118.2(5) . . ?
C9 C15 C10 119.0(5) 2_676 . ?
O6 C16 O5 122.6(6) . . ?
O6 C16 C17 117.0(6) . . ?
O5 C16 C17 120.4(6) . . ?
O6 C16 Tb1 63.2(3) . . ?
O5 C16 Tb1 59.8(3) . . ?
C17 C16 Tb1 172.9(5) . . ?
C19 C17 C18 119.2(6) 2_668 . ?
C19 C17 C16 121.2(6) 2_668 . ?
C18 C17 C16 119.6(6) . . ?
C19 C18 C17 120.3(6) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C17 C19 C18 120.4(6) 2_668 . ?
C17 C19 H19 119.8 2_668 . ?
C18 C19 H19 119.8 . . ?
O7 C20 N1 124.4(10) . . ?
O7 C20 C21 137.2(10) . . ?
N1 C20 C21 96.6(9) . . ?
C20 C21 C22 110.7(10) . . ?
C20 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C21 105.6(10) . . ?
C23 C22 H22A 110.6 . . ?
C21 C22 H22A 110.6 . . ?
C23 C22 H22B 110.6 . . ?
C21 C22 H22B 110.6 . . ?
H22A C22 H22B 108.7 . . ?
N1 C23 C22 100.2(9) . . ?
N1 C23 H23A 111.7 . . ?
C22 C23 H23A 111.7 . . ?
N1 C23 H23B 111.7 . . ?
C22 C23 H23B 111.7 . . ?
H23A C23 H23B 109.5 . . ?
N1 C24 H24A 111.4 . . ?
N1 C24 H24B 104.2 . . ?
H24A C24 H24B 109.5 . . ?
N1 C24 H24C 112.7 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O8 C25 N2 130.8(10) . . ?
O8 C25 C26 130.7(9) . . ?
N2 C25 C26 97.9(8) . . ?
C25 C26 C27 106.2(8) . . ?
C25 C26 H26A 110.5 . . ?
C27 C26 H26A 110.5 . . ?
C25 C26 H26B 110.5 . . ?
C27 C26 H26B 110.5 . . ?
H26A C26 H26B 108.7 . . ?
C28 C27 C26 109.3(9) . . ?
C28 C27 H27A 109.8 . . ?
C26 C27 H27A 109.8 . . ?
C28 C27 H27B 109.8 . . ?
C26 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
N2 C28 C27 93.8(9) . . ?
N2 C28 H28A 113.0 . . ?
C27 C28 H28A 113.0 . . ?
N2 C28 H28B 113.0 . . ?
C27 C28 H28B 113.0 . . ?
H28A C28 H28B 110.4 . . ?
N2 C29 H29A 110.3 . . ?
N2 C29 H29B 110.6 . . ?
H29A C29 H29B 109.5 . . ?
N2 C29 H29C 107.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C20 N1 C23 124.4(10) . . ?
C20 N1 C24 120.3(10) . . ?
C23 N1 C24 115.3(9) . . ?
C25 N2 C28 130.6(11) . . ?
C25 N2 C29 116.0(9) . . ?
C28 N2 C29 113.4(8) . . ?
C1 O1 Tb1 134.5(3) . . ?
C1 O2 Tb1 171.0(4) . 2_667 ?
C5 O3 Tb1 94.6(3) . 2_577 ?
C5 O4 Tb1 92.1(4) . 2_577 ?
C16 O5 Tb1 93.4(4) . . ?
C16 O6 Tb1 90.0(4) . . ?
C20 O7 Tb1 136.7(6) . . ?
C25 O8 Tb1 152.3(6) . . ?

_refine_diff_density_max         1.687
_refine_diff_density_min         -2.340
_refine_diff_density_rms         0.201

