# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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
_database_code_depnum_ccdc_archive 'CCDC 2205797'
loop_
_audit_author_name
_audit_author_address
'Yoji Horii'
;Nara Womens University
Japan
;
_audit_update_record             
;
2022-11-22 deposited with the CCDC.	2023-01-16 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            'C74 H44 Cl4 N16 Tb'
_chemical_formula_weight         1457.97

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'
Cl Cl 0.1484 0.1585 '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                   12.7976(5)
_cell_length_b                   14.0071(6)
_cell_length_c                   18.1335(7)
_cell_angle_alpha                93.068(3)
_cell_angle_beta                 105.135(4)
_cell_angle_gamma                100.887(3)
_cell_volume                     3063.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    153

_cell_measurement_reflns_used    11528
_cell_measurement_theta_min      1.6480
_cell_measurement_theta_max      33.5840

_exptl_crystal_description       block

_exptl_crystal_colour            black

_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_F_000             1466
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?

_exptl_crystal_size_mid          ?

_exptl_crystal_size_min          ?

_exptl_absorpt_coefficient_mu    1.391
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.70300

_exptl_absorpt_correction_T_max  1.00000

_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            32657
_diffrn_reflns_av_unetI/netI     0.1053
_diffrn_reflns_av_R_equivalents  0.0747
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.686
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             14041
_reflns_number_gt                10119
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    ?

_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'

_computing_publication_material  
;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;

_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)+(0.0628P)²+7.4798P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    ?

_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14041
_refine_ls_number_parameters     856
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0639
_refine_ls_wR_factor_ref         0.1521
_refine_ls_wR_factor_gt          0.1363
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_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 0.49921(3) 0.49856(2) 0.24422(2) 0.01708(9) Uani 1 1 d . . . . .
N1 N 0.6695(4) 0.4347(3) 0.2729(3) 0.0194(10) Uani 1 1 d . . . . .
C1 C 0.6818(5) 0.3504(4) 0.2370(3) 0.0202(13) Uani 1 1 d . . . . .
C2 C 0.7969(5) 0.3529(5) 0.2460(4) 0.0282(14) Uani 1 1 d . . . . .
H2 H 0.826857 0.304346 0.224972 0.034 Uiso 1 1 calc R U . . .
C3 C 0.8549(5) 0.4363(5) 0.2898(4) 0.0256(14) Uani 1 1 d . . . . .
H3 H 0.933180 0.457453 0.305879 0.031 Uiso 1 1 calc R U . . .
C4 C 0.7743(5) 0.4880(4) 0.3076(3) 0.0187(12) Uani 1 1 d . . . . .
N2 N 0.6139(4) 0.5829(3) 0.3687(3) 0.0187(10) Uani 1 1 d . . . . .
C5 C 0.7254(5) 0.6178(4) 0.3862(3) 0.0206(13) Uani 1 1 d . . . . .
C6 C 0.7583(5) 0.7043(4) 0.4418(3) 0.0251(14) Uani 1 1 d . . . . .
H6 H 0.830883 0.742887 0.462294 0.030 Uiso 1 1 calc R U . . .
C7 C 0.6643(5) 0.7191(5) 0.4586(3) 0.0258(14) Uani 1 1 d . . . . .
H7 H 0.658847 0.770256 0.493038 0.031 Uiso 1 1 calc R U . . .
C8 C 0.5748(5) 0.6419(4) 0.4142(3) 0.0210(13) Uani 1 1 d . . . . .
N3 N 0.3878(4) 0.4719(4) 0.3358(3) 0.0198(10) Uani 1 1 d . . . . .
C9 C 0.3805(5) 0.5417(4) 0.3890(3) 0.0195(12) Uani 1 1 d . . . . .
C10 C 0.2784(5) 0.5161(5) 0.4102(4) 0.0261(14) Uani 1 1 d . . . . .
H10 H 0.254225 0.553267 0.445328 0.031 Uiso 1 1 calc R U . . .
C11 C 0.2245(5) 0.4296(5) 0.3704(4) 0.0287(15) Uani 1 1 d . . . . .
H11 H 0.154003 0.394447 0.371764 0.034 Uiso 1 1 calc R U . . .
C12 C 0.2930(5) 0.3989(4) 0.3246(3) 0.0210(13) Uani 1 1 d . . . . .
N4 N 0.4404(4) 0.3218(3) 0.2388(3) 0.0189(10) Uani 1 1 d . . . . .
C13 C 0.3376(5) 0.2723(4) 0.2417(3) 0.0221(13) Uani 1 1 d . . . . .
C14 C 0.3148(5) 0.1739(5) 0.2043(4) 0.0263(14) Uani 1 1 d . . . . .
H14 H 0.248699 0.125787 0.196810 0.032 Uiso 1 1 calc R U . . .
C15 C 0.4050(5) 0.1631(5) 0.1819(3) 0.0261(14) Uani 1 1 d . . . . .
H15 H 0.414356 0.106184 0.155606 0.031 Uiso 1 1 calc R U . . .
C16 C 0.4845(5) 0.2548(4) 0.2058(3) 0.0232(14) Uani 1 1 d . . . . .
C17 C 0.8010(5) 0.5736(4) 0.3590(3) 0.0193(12) Uani 1 1 d . . . . .
C18 C 0.4673(5) 0.6244(4) 0.4239(3) 0.0201(12) Uani 1 1 d . . . . .
C19 C 0.2688(5) 0.3083(4) 0.2809(3) 0.0215(13) Uani 1 1 d . . . . .
C20 C 0.5960(5) 0.2678(4) 0.2038(3) 0.0210(13) Uani 1 1 d . . . . .
C21 C 0.9226(5) 0.6139(4) 0.3966(3) 0.0207(12) Uani 1 1 d . . . . .
C22 C 0.9663(5) 0.6134(5) 0.4749(4) 0.0268(14) Uani 1 1 d . . . . .
H22 H 0.919390 0.589078 0.505580 0.032 Uiso 1 1 calc R U . . .
C23 C 1.0790(6) 0.6485(5) 0.5087(4) 0.0310(15) Uani 1 1 d . . . . .
H23 H 1.106979 0.648012 0.562601 0.037 Uiso 1 1 calc R U . . .
N5 N 1.1502(4) 0.6830(4) 0.4688(3) 0.0311(13) Uani 1 1 d . . . . .
C24 C 1.1066(6) 0.6831(5) 0.3935(4) 0.0353(16) Uani 1 1 d . . . . .
H24 H 1.155481 0.707425 0.364172 0.042 Uiso 1 1 calc R U . . .
C25 C 0.9964(5) 0.6508(5) 0.3550(4) 0.0261(14) Uani 1 1 d . . . . .
H25 H 0.970873 0.653512 0.301228 0.031 Uiso 1 1 calc R U . . .
C26 C 0.4442(5) 0.6938(4) 0.4809(3) 0.0198(12) Uani 1 1 d . . . . .
C27 C 0.4254(5) 0.6656(5) 0.5495(3) 0.0229(13) Uani 1 1 d . . . . .
H27 H 0.429348 0.601422 0.562701 0.027 Uiso 1 1 calc R U . . .
C28 C 0.4009(5) 0.7323(5) 0.5985(4) 0.0285(15) Uani 1 1 d . . . . .
H28 H 0.387166 0.710709 0.644540 0.034 Uiso 1 1 calc R U . . .
N6 N 0.3951(5) 0.8232(4) 0.5862(3) 0.0281(12) Uani 1 1 d . . . . .
C29 C 0.4151(6) 0.8509(5) 0.5203(4) 0.0315(15) Uani 1 1 d . . . . .
H29 H 0.411952 0.916128 0.509618 0.038 Uiso 1 1 calc R U . . .
C30 C 0.4397(6) 0.7906(5) 0.4672(4) 0.0299(15) Uani 1 1 d . . . . .
H30 H 0.453476 0.814658 0.421848 0.036 Uiso 1 1 calc R U . . .
C31 C 0.1691(5) 0.2362(4) 0.2870(3) 0.0214(13) Uani 1 1 d . . . . .
C32 C 0.1830(6) 0.1696(5) 0.3406(4) 0.0398(18) Uani 1 1 d . . . . .
H32 H 0.254742 0.168317 0.372114 0.048 Uiso 1 1 calc R U . . .
C33 C 0.0907(7) 0.1050(6) 0.3476(5) 0.047(2) Uani 1 1 d . . . . .
H33 H 0.101753 0.061180 0.385767 0.057 Uiso 1 1 calc R U . . .
N7 N -0.0132(5) 0.0996(4) 0.3043(4) 0.0409(16) Uani 1 1 d . . . . .
C34 C -0.0243(7) 0.1619(6) 0.2530(5) 0.051(2) Uani 1 1 d . . . . .
H34 H -0.096619 0.160039 0.220949 0.061 Uiso 1 1 calc R U . . .
C35 C 0.0634(6) 0.2313(6) 0.2420(5) 0.044(2) Uani 1 1 d . . . . .
H35 H 0.049657 0.274645 0.203723 0.053 Uiso 1 1 calc R U . . .
C36 C 0.6315(5) 0.1786(5) 0.1771(3) 0.0240(13) Uani 1 1 d . . . . .
C37 C 0.6627(5) 0.1109(5) 0.2273(4) 0.0278(14) Uani 1 1 d . . . . .
H37 H 0.663239 0.121198 0.279640 0.033 Uiso 1 1 calc R U . . .
C38 C 0.6929(6) 0.0284(5) 0.2010(4) 0.0355(17) Uani 1 1 d . . . . .
H38 H 0.714397 -0.016196 0.236777 0.043 Uiso 1 1 calc R U . . .
N8 N 0.6936(6) 0.0077(4) 0.1284(4) 0.0407(15) Uani 1 1 d . . . . .
N9 N 0.6241(4) 0.6201(4) 0.1956(3) 0.0191(10) Uani 1 1 d . . . . .
C39 C 0.6620(9) 0.0743(7) 0.0812(5) 0.064(3) Uani 1 1 d . . . . .
H39 H 0.658749 0.061253 0.028566 0.077 Uiso 1 1 calc R U . . .
C40 C 0.6342(8) 0.1591(6) 0.1024(4) 0.052(2) Uani 1 1 d . . . . .
H40 H 0.616969 0.204159 0.066090 0.063 Uiso 1 1 calc R U . . .
C41 C 0.6926(5) 0.5969(4) 0.1541(3) 0.0198(13) Uani 1 1 d . . . . .
C42 C 0.7914(5) 0.6769(4) 0.1685(3) 0.0217(13) Uani 1 1 d . . . . .
C43 C 0.7790(5) 0.7493(4) 0.2201(3) 0.0209(13) Uani 1 1 d . . . . .
C44 C 0.6688(5) 0.7123(4) 0.2324(3) 0.0215(13) Uani 1 1 d . . . . .
N10 N 0.4417(4) 0.6567(4) 0.2417(3) 0.0222(11) Uani 1 1 d . . . . .
C45 C 0.5118(5) 0.7471(4) 0.2638(3) 0.0186(12) Uani 1 1 d . . . . .
C46 C 0.4512(5) 0.8209(4) 0.2786(3) 0.0201(12) Uani 1 1 d . . . . .
C47 C 0.3391(5) 0.7726(4) 0.2628(3) 0.0219(13) Uani 1 1 d . . . . .
C48 C 0.3364(5) 0.6706(4) 0.2387(3) 0.0200(13) Uani 1 1 d . . . . .
N11 N 0.3109(4) 0.4797(4) 0.1561(3) 0.0214(11) Uani 1 1 d . . . . .
C49 C 0.2309(5) 0.5207(5) 0.1743(3) 0.0231(14) Uani 1 1 d . . . . .
C50 C 0.1200(5) 0.4581(5) 0.1366(4) 0.0249(14) Uani 1 1 d . . . . .
C51 C 0.1387(5) 0.3828(5) 0.0914(3) 0.0261(14) Uani 1 1 d . . . . .
C52 C 0.2603(5) 0.4001(4) 0.1037(3) 0.0218(13) Uani 1 1 d . . . . .
N12 N 0.4928(4) 0.4457(3) 0.1089(3) 0.0186(10) Uani 1 1 d . . . . .
C53 C 0.4119(5) 0.3699(4) 0.0646(3) 0.0213(13) Uani 1 1 d . . . . .
C54 C 0.4579(5) 0.3199(4) 0.0103(3) 0.0226(13) Uani 1 1 d . . . . .
C55 C 0.5660(5) 0.3750(5) 0.0205(3) 0.0232(13) Uani 1 1 d . . . . .
C56 C 0.5833(5) 0.4526(4) 0.0818(3) 0.0191(12) Uani 1 1 d . . . . .
N13 N 0.6189(4) 0.7712(4) 0.2657(3) 0.0198(11) Uani 1 1 d . . . . .
N14 N 0.2400(4) 0.6066(4) 0.2138(3) 0.0226(11) Uani 1 1 d . . . . .
N15 N 0.3058(4) 0.3451(4) 0.0639(3) 0.0237(11) Uani 1 1 d . . . . .
N16 N 0.6788(4) 0.5196(4) 0.1042(3) 0.0202(11) Uani 1 1 d . . . . .
C57 C 0.8816(5) 0.6917(5) 0.1377(4) 0.0257(14) Uani 1 1 d . . . . .
H57 H 0.889309 0.644135 0.101280 0.031 Uiso 1 1 calc R U . . .
C58 C 0.9585(6) 0.7774(5) 0.1619(4) 0.0330(16) Uani 1 1 d . . . . .
H58 H 1.020949 0.788851 0.142031 0.040 Uiso 1 1 calc R U . . .
C59 C 0.9481(6) 0.8487(5) 0.2151(4) 0.0297(15) Uani 1 1 d . . . . .
H59 H 1.004013 0.906682 0.231462 0.036 Uiso 1 1 calc R U . . .
C60 C 0.8569(5) 0.8354(5) 0.2440(4) 0.0285(14) Uani 1 1 d . . . . .
H60 H 0.848304 0.884034 0.279262 0.034 Uiso 1 1 calc R U . . .
C61 C 0.4834(6) 0.9213(4) 0.3026(3) 0.0254(14) Uani 1 1 d . . . . .
H61 H 0.558439 0.954539 0.312947 0.030 Uiso 1 1 calc R U . . .
C62 C 0.4024(6) 0.9705(5) 0.3106(4) 0.0278(14) Uani 1 1 d . . . . .
H62 H 0.422299 1.038502 0.327341 0.033 Uiso 1 1 calc R U . . .
C63 C 0.2917(6) 0.9218(5) 0.2945(4) 0.0324(16) Uani 1 1 d . . . . .
H63 H 0.237819 0.957417 0.300794 0.039 Uiso 1 1 calc R U . . .
C64 C 0.2591(6) 0.8232(5) 0.2698(4) 0.0293(15) Uani 1 1 d . . . . .
H64 H 0.183456 0.791039 0.257819 0.035 Uiso 1 1 calc R U . . .
C65 C 0.0135(5) 0.4661(5) 0.1383(4) 0.0291(15) Uani 1 1 d . . . . .
H65 H 0.001655 0.517859 0.169150 0.035 Uiso 1 1 calc R U . . .
C66 C -0.0743(6) 0.3953(5) 0.0931(4) 0.0341(16) Uani 1 1 d . . . . .
H66 H -0.147814 0.398629 0.092921 0.041 Uiso 1 1 calc R U . . .
C67 C -0.0566(5) 0.3199(5) 0.0483(4) 0.0338(16) Uani 1 1 d . . . . .
H67 H -0.118475 0.272300 0.018348 0.041 Uiso 1 1 calc R U . . .
C68 C 0.0501(6) 0.3119(5) 0.0459(4) 0.0319(16) Uani 1 1 d . . . . .
H68 H 0.061655 0.260539 0.014557 0.038 Uiso 1 1 calc R U . . .
C69 C 0.4163(6) 0.2364(5) -0.0417(3) 0.0283(15) Uani 1 1 d . . . . .
H69 H 0.343502 0.199363 -0.048612 0.034 Uiso 1 1 calc R U . . .
C70 C 0.4847(6) 0.2089(5) -0.0831(3) 0.0301(15) Uani 1 1 d . . . . .
H70 H 0.458788 0.151023 -0.118122 0.036 Uiso 1 1 calc R U . . .
C71 C 0.5915(6) 0.2645(5) -0.0747(3) 0.0325(16) Uani 1 1 d . . . . .
H71 H 0.636261 0.243992 -0.104160 0.039 Uiso 1 1 calc R U . . .
C72 C 0.6327(6) 0.3496(5) -0.0233(3) 0.0264(14) Uani 1 1 d . . . . .
H72 H 0.703840 0.388711 -0.018546 0.032 Uiso 1 1 calc R U . . .
C73 C 1.1511(6) 0.9121(5) 0.5513(4) 0.0391(17) Uani 1 1 d . . . . .
H73 H 1.119777 0.900856 0.595317 0.047 Uiso 1 1 calc R U . . .
H73A H 1.198946 0.864630 0.549449 0.047 Uiso 1 1 calc R U . . .
Cl1 Cl 1.04214(18) 0.89232(15) 0.46523(14) 0.0576(6) Uani 1 1 d . . . . .
Cl2 Cl 1.23181(18) 1.03212(16) 0.56520(16) 0.0645(7) Uani 1 1 d . . . . .
C74 C 0.1619(13) 1.0286(11) 0.0056(9) 0.122(5) Uani 1 1 d . . . . .
H74 H 0.227354 1.059806 -0.010413 0.147 Uiso 1 1 calc R U . . .
H74A H 0.131323 1.080354 0.026632 0.147 Uiso 1 1 calc R U . . .
Cl3 Cl 0.1998(3) 0.9455(3) 0.0773(2) 0.1101(12) Uani 1 1 d . . . . .
Cl4 Cl 0.0575(4) 0.9536(4) -0.0756(3) 0.1391(16) Uani 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 N4 2.437(5) . ?
Tb1 N2 2.444(5) . ?
Tb1 N1 2.453(5) . ?
Tb1 N3 2.455(5) . ?
Tb1 N10 2.461(5) . ?
Tb1 N9 2.470(5) . ?
Tb1 N11 2.477(5) . ?
Tb1 N12 2.501(5) . ?
N1 C4 1.372(7) . ?
N1 C1 1.373(7) . ?
C1 C20 1.417(8) . ?
C1 C2 1.432(9) . ?
C2 C3 1.346(9) . ?
C3 C4 1.457(9) . ?
C4 C17 1.407(8) . ?
N2 C5 1.364(8) . ?
N2 C8 1.382(7) . ?
C5 C17 1.416(8) . ?
C5 C6 1.455(8) . ?
C6 C7 1.364(9) . ?
C7 C8 1.444(8) . ?
C8 C18 1.411(8) . ?
N3 C9 1.370(7) . ?
N3 C12 1.393(8) . ?
C9 C18 1.430(8) . ?
C9 C10 1.443(8) . ?
C10 C11 1.340(9) . ?
C11 C12 1.457(9) . ?
C12 C19 1.397(8) . ?
N4 C16 1.369(8) . ?
N4 C13 1.382(8) . ?
C13 C19 1.411(9) . ?
C13 C14 1.446(8) . ?
C14 C15 1.350(9) . ?
C15 C16 1.446(8) . ?
C16 C20 1.414(9) . ?
C17 C21 1.509(8) . ?
C18 C26 1.503(8) . ?
C19 C31 1.502(8) . ?
C20 C36 1.505(9) . ?
C21 C22 1.386(8) . ?
C21 C25 1.398(8) . ?
C22 C23 1.391(9) . ?
C23 N5 1.343(9) . ?
N5 C24 1.333(9) . ?
C24 C25 1.376(9) . ?
C26 C27 1.391(8) . ?
C26 C30 1.401(9) . ?
C27 C28 1.389(9) . ?
C28 N6 1.317(8) . ?
N6 C29 1.346(8) . ?
C29 C30 1.383(9) . ?
C31 C35 1.373(10) . ?
C31 C32 1.384(9) . ?
C32 C33 1.385(10) . ?
C33 N7 1.342(10) . ?
N7 C34 1.310(10) . ?
C34 C35 1.403(10) . ?
C36 C40 1.378(9) . ?
C36 C37 1.390(9) . ?
C37 C38 1.385(9) . ?
C38 N8 1.335(9) . ?
N8 C39 1.348(10) . ?
N9 C41 1.366(7) . ?
N9 C44 1.368(8) . ?
C39 C40 1.367(11) . ?
C41 N16 1.327(8) . ?
C41 C42 1.477(8) . ?
C42 C57 1.395(8) . ?
C42 C43 1.402(9) . ?
C43 C60 1.379(8) . ?
C43 C44 1.485(8) . ?
C44 N13 1.341(8) . ?
N10 C45 1.378(7) . ?
N10 C48 1.385(8) . ?
C45 N13 1.339(8) . ?
C45 C46 1.458(8) . ?
C46 C61 1.400(8) . ?
C46 C47 1.412(8) . ?
C47 C64 1.378(9) . ?
C47 C48 1.464(8) . ?
C48 N14 1.333(8) . ?
N11 C52 1.363(7) . ?
N11 C49 1.366(8) . ?
C49 N14 1.336(8) . ?
C49 C50 1.487(8) . ?
C50 C51 1.395(9) . ?
C50 C65 1.396(9) . ?
C51 C68 1.396(9) . ?
C51 C52 1.483(9) . ?
C52 N15 1.337(8) . ?
N12 C56 1.361(7) . ?
N12 C53 1.379(8) . ?
C53 N15 1.332(8) . ?
C53 C54 1.481(8) . ?
C54 C69 1.388(8) . ?
C54 C55 1.411(9) . ?
C55 C72 1.387(9) . ?
C55 C56 1.455(8) . ?
C56 N16 1.343(7) . ?
C57 C58 1.369(9) . ?
C58 C59 1.399(10) . ?
C59 C60 1.387(9) . ?
C61 C62 1.380(9) . ?
C62 C63 1.399(9) . ?
C63 C64 1.378(9) . ?
C65 C66 1.389(9) . ?
C66 C67 1.387(10) . ?
C67 C68 1.403(10) . ?
C69 C70 1.386(9) . ?
C70 C71 1.405(10) . ?
C71 C72 1.398(9) . ?
C73 Cl2 1.766(7) . ?
C73 Cl1 1.769(8) . ?
C74 Cl3 1.823(16) . ?
C74 Cl4 1.826(15) . ?

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
N4 Tb1 N2 116.00(16) . . ?
N4 Tb1 N1 74.11(16) . . ?
N2 Tb1 N1 73.85(16) . . ?
N4 Tb1 N3 74.27(16) . . ?
N2 Tb1 N3 72.74(16) . . ?
N1 Tb1 N3 116.21(16) . . ?
N4 Tb1 N10 146.07(16) . . ?
N2 Tb1 N10 78.78(16) . . ?
N1 Tb1 N10 139.38(16) . . ?
N3 Tb1 N10 82.43(16) . . ?
N4 Tb1 N9 139.57(16) . . ?
N2 Tb1 N9 82.55(15) . . ?
N1 Tb1 N9 77.89(16) . . ?
N3 Tb1 N9 145.51(16) . . ?
N10 Tb1 N9 69.20(16) . . ?
N4 Tb1 N11 81.71(16) . . ?
N2 Tb1 N11 140.61(17) . . ?
N1 Tb1 N11 145.04(16) . . ?
N3 Tb1 N11 79.77(16) . . ?
N10 Tb1 N11 69.98(16) . . ?
N9 Tb1 N11 107.03(16) . . ?
N4 Tb1 N12 78.86(15) . . ?
N2 Tb1 N12 146.16(16) . . ?
N1 Tb1 N12 82.41(16) . . ?
N3 Tb1 N12 140.64(16) . . ?
N10 Tb1 N12 106.21(15) . . ?
N9 Tb1 N12 68.95(15) . . ?
N11 Tb1 N12 68.22(16) . . ?
C4 N1 C1 106.6(5) . . ?
C4 N1 Tb1 125.9(4) . . ?
C1 N1 Tb1 124.8(4) . . ?
N1 C1 C20 125.7(6) . . ?
N1 C1 C2 109.8(5) . . ?
C20 C1 C2 124.1(6) . . ?
C3 C2 C1 107.7(6) . . ?
C2 C3 C4 106.7(6) . . ?
N1 C4 C17 125.8(5) . . ?
N1 C4 C3 109.2(5) . . ?
C17 C4 C3 124.7(5) . . ?
C5 N2 C8 106.2(5) . . ?
C5 N2 Tb1 124.6(4) . . ?
C8 N2 Tb1 122.5(4) . . ?
N2 C5 C17 125.7(6) . . ?
N2 C5 C6 110.3(5) . . ?
C17 C5 C6 123.8(6) . . ?
C7 C6 C5 106.5(5) . . ?
C6 C7 C8 106.9(5) . . ?
N2 C8 C18 125.9(6) . . ?
N2 C8 C7 110.0(5) . . ?
C18 C8 C7 123.6(6) . . ?
C9 N3 C12 105.5(5) . . ?
C9 N3 Tb1 125.7(4) . . ?
C12 N3 Tb1 124.8(4) . . ?
N3 C9 C18 124.1(5) . . ?
N3 C9 C10 111.2(5) . . ?
C18 C9 C10 124.5(5) . . ?
C11 C10 C9 106.5(5) . . ?
C10 C11 C12 108.0(6) . . ?
N3 C12 C19 126.5(6) . . ?
N3 C12 C11 108.8(5) . . ?
C19 C12 C11 124.6(6) . . ?
C16 N4 C13 105.8(5) . . ?
C16 N4 Tb1 124.7(4) . . ?
C13 N4 Tb1 125.8(4) . . ?
N4 C13 C19 125.7(5) . . ?
N4 C13 C14 109.7(6) . . ?
C19 C13 C14 124.4(5) . . ?
C15 C14 C13 107.2(6) . . ?
C14 C15 C16 106.8(6) . . ?
N4 C16 C20 125.4(5) . . ?
N4 C16 C15 110.3(5) . . ?
C20 C16 C15 123.8(6) . . ?
C4 C17 C5 126.3(5) . . ?
C4 C17 C21 116.4(5) . . ?
C5 C17 C21 116.8(5) . . ?
C8 C18 C9 125.6(6) . . ?
C8 C18 C26 117.5(5) . . ?
C9 C18 C26 116.7(5) . . ?
C12 C19 C13 126.4(6) . . ?
C12 C19 C31 116.4(5) . . ?
C13 C19 C31 116.4(5) . . ?
C16 C20 C1 126.4(6) . . ?
C16 C20 C36 116.4(5) . . ?
C1 C20 C36 116.2(5) . . ?
C22 C21 C25 117.0(6) . . ?
C22 C21 C17 120.4(5) . . ?
C25 C21 C17 122.6(5) . . ?
C21 C22 C23 119.9(6) . . ?
N5 C23 C22 123.2(6) . . ?
C24 N5 C23 116.1(6) . . ?
N5 C24 C25 125.0(6) . . ?
C24 C25 C21 118.8(6) . . ?
C27 C26 C30 116.4(5) . . ?
C27 C26 C18 122.2(5) . . ?
C30 C26 C18 121.5(5) . . ?
C28 C27 C26 119.3(6) . . ?
N6 C28 C27 125.1(6) . . ?
C28 N6 C29 115.6(5) . . ?
N6 C29 C30 124.3(6) . . ?
C29 C30 C26 119.3(6) . . ?
C35 C31 C32 117.0(6) . . ?
C35 C31 C19 124.0(6) . . ?
C32 C31 C19 119.0(6) . . ?
C31 C32 C33 118.9(7) . . ?
N7 C33 C32 124.8(7) . . ?
C34 N7 C33 115.3(6) . . ?
N7 C34 C35 124.4(8) . . ?
C31 C35 C34 119.5(7) . . ?
C40 C36 C37 116.5(6) . . ?
C40 C36 C20 122.4(6) . . ?
C37 C36 C20 121.0(6) . . ?
C38 C37 C36 120.0(6) . . ?
N8 C38 C37 124.1(7) . . ?
C38 N8 C39 114.4(6) . . ?
C41 N9 C44 108.0(5) . . ?
C41 N9 Tb1 124.3(4) . . ?
C44 N9 Tb1 122.2(4) . . ?
N8 C39 C40 125.6(7) . . ?
C39 C40 C36 119.4(7) . . ?
N16 C41 N9 129.7(5) . . ?
N16 C41 C42 120.6(5) . . ?
N9 C41 C42 109.6(5) . . ?
C57 C42 C43 120.6(6) . . ?
C57 C42 C41 132.3(6) . . ?
C43 C42 C41 106.9(5) . . ?
C60 C43 C42 121.4(6) . . ?
C60 C43 C44 133.7(6) . . ?
C42 C43 C44 104.7(5) . . ?
N13 C44 N9 127.6(6) . . ?
N13 C44 C43 121.2(5) . . ?
N9 C44 C43 110.4(5) . . ?
C45 N10 C48 106.5(5) . . ?
C45 N10 Tb1 125.5(4) . . ?
C48 N10 Tb1 125.8(4) . . ?
N13 C45 N10 127.6(6) . . ?
N13 C45 C46 121.5(5) . . ?
N10 C45 C46 110.7(5) . . ?
C61 C46 C47 120.5(6) . . ?
C61 C46 C45 133.0(6) . . ?
C47 C46 C45 106.6(5) . . ?
C64 C47 C46 120.9(6) . . ?
C64 C47 C48 133.7(6) . . ?
C46 C47 C48 105.3(5) . . ?
N14 C48 N10 128.7(6) . . ?
N14 C48 C47 120.2(5) . . ?
N10 C48 C47 111.0(5) . . ?
C52 N11 C49 108.3(5) . . ?
C52 N11 Tb1 123.4(4) . . ?
C49 N11 Tb1 122.8(4) . . ?
N14 C49 N11 129.7(6) . . ?
N14 C49 C50 120.4(6) . . ?
N11 C49 C50 109.7(5) . . ?
C51 C50 C65 122.1(6) . . ?
C51 C50 C49 105.8(6) . . ?
C65 C50 C49 132.1(6) . . ?
C50 C51 C68 120.5(6) . . ?
C50 C51 C52 106.1(5) . . ?
C68 C51 C52 133.3(6) . . ?
N15 C52 N11 128.6(6) . . ?
N15 C52 C51 121.5(6) . . ?
N11 C52 C51 109.8(5) . . ?
C56 N12 C53 107.7(5) . . ?
C56 N12 Tb1 124.5(4) . . ?
C53 N12 Tb1 122.0(4) . . ?
N15 C53 N12 128.4(6) . . ?
N15 C53 C54 122.1(5) . . ?
N12 C53 C54 109.3(5) . . ?
C69 C54 C55 121.2(6) . . ?
C69 C54 C53 133.2(6) . . ?
C55 C54 C53 105.6(5) . . ?
C72 C55 C54 121.0(6) . . ?
C72 C55 C56 132.9(6) . . ?
C54 C55 C56 106.0(5) . . ?
N16 C56 N12 128.4(5) . . ?
N16 C56 C55 120.6(5) . . ?
N12 C56 C55 111.0(5) . . ?
C45 N13 C44 122.8(5) . . ?
C48 N14 C49 121.8(5) . . ?
C53 N15 C52 121.9(5) . . ?
C41 N16 C56 122.0(5) . . ?
C58 C57 C42 117.5(6) . . ?
C57 C58 C59 122.1(6) . . ?
C60 C59 C58 120.5(6) . . ?
C43 C60 C59 117.9(6) . . ?
C62 C61 C46 117.8(6) . . ?
C61 C62 C63 121.1(6) . . ?
C64 C63 C62 121.4(6) . . ?
C47 C64 C63 118.2(6) . . ?
C66 C65 C50 117.2(6) . . ?
C67 C66 C65 121.3(7) . . ?
C66 C67 C68 121.8(6) . . ?
C51 C68 C67 117.2(6) . . ?
C70 C69 C54 117.7(6) . . ?
C69 C70 C71 121.6(6) . . ?
C72 C71 C70 120.8(7) . . ?
C55 C72 C71 117.7(6) . . ?
Cl2 C73 Cl1 111.5(4) . . ?
Cl3 C74 Cl4 106.0(8) . . ?

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
C4 N1 C1 C20 169.9(5) . . . . ?
Tb1 N1 C1 C20 -28.1(8) . . . . ?
C4 N1 C1 C2 -3.0(6) . . . . ?
Tb1 N1 C1 C2 159.1(4) . . . . ?
N1 C1 C2 C3 2.4(7) . . . . ?
C20 C1 C2 C3 -170.6(5) . . . . ?
C1 C2 C3 C4 -0.8(7) . . . . ?
C1 N1 C4 C17 -171.3(5) . . . . ?
Tb1 N1 C4 C17 26.9(8) . . . . ?
C1 N1 C4 C3 2.5(6) . . . . ?
Tb1 N1 C4 C3 -159.3(4) . . . . ?
C2 C3 C4 N1 -1.0(7) . . . . ?
C2 C3 C4 C17 172.8(5) . . . . ?
C8 N2 C5 C17 173.2(6) . . . . ?
Tb1 N2 C5 C17 -35.2(8) . . . . ?
C8 N2 C5 C6 -2.7(6) . . . . ?
Tb1 N2 C5 C6 148.8(4) . . . . ?
N2 C5 C6 C7 1.5(7) . . . . ?
C17 C5 C6 C7 -174.6(6) . . . . ?
C5 C6 C7 C8 0.4(7) . . . . ?
C5 N2 C8 C18 -169.8(6) . . . . ?
Tb1 N2 C8 C18 37.8(8) . . . . ?
C5 N2 C8 C7 2.9(6) . . . . ?
Tb1 N2 C8 C7 -149.4(4) . . . . ?
C6 C7 C8 N2 -2.1(7) . . . . ?
C6 C7 C8 C18 170.9(6) . . . . ?
C12 N3 C9 C18 172.4(5) . . . . ?
Tb1 N3 C9 C18 -29.5(8) . . . . ?
C12 N3 C9 C10 -2.5(7) . . . . ?
Tb1 N3 C9 C10 155.7(4) . . . . ?
N3 C9 C10 C11 1.0(7) . . . . ?
C18 C9 C10 C11 -173.8(6) . . . . ?
C9 C10 C11 C12 0.9(7) . . . . ?
C9 N3 C12 C19 -173.4(6) . . . . ?
Tb1 N3 C12 C19 28.2(8) . . . . ?
C9 N3 C12 C11 3.0(6) . . . . ?
Tb1 N3 C12 C11 -155.4(4) . . . . ?
C10 C11 C12 N3 -2.5(7) . . . . ?
C10 C11 C12 C19 174.0(6) . . . . ?
C16 N4 C13 C19 170.5(6) . . . . ?
Tb1 N4 C13 C19 -30.5(8) . . . . ?
C16 N4 C13 C14 -4.2(6) . . . . ?
Tb1 N4 C13 C14 154.8(4) . . . . ?
N4 C13 C14 C15 2.5(7) . . . . ?
C19 C13 C14 C15 -172.3(6) . . . . ?
C13 C14 C15 C16 0.3(7) . . . . ?
C13 N4 C16 C20 -167.9(6) . . . . ?
Tb1 N4 C16 C20 32.8(8) . . . . ?
C13 N4 C16 C15 4.5(6) . . . . ?
Tb1 N4 C16 C15 -154.9(4) . . . . ?
C14 C15 C16 N4 -3.0(7) . . . . ?
C14 C15 C16 C20 169.5(6) . . . . ?
N1 C4 C17 C5 2.6(9) . . . . ?
C3 C4 C17 C5 -170.3(6) . . . . ?
N1 C4 C17 C21 173.8(5) . . . . ?
C3 C4 C17 C21 1.0(8) . . . . ?
N2 C5 C17 C4 2.0(9) . . . . ?
C6 C5 C17 C4 177.5(5) . . . . ?
N2 C5 C17 C21 -169.2(5) . . . . ?
C6 C5 C17 C21 6.3(8) . . . . ?
N2 C8 C18 C9 0.8(10) . . . . ?
C7 C8 C18 C9 -171.0(6) . . . . ?
N2 C8 C18 C26 175.3(5) . . . . ?
C7 C8 C18 C26 3.5(9) . . . . ?
N3 C9 C18 C8 -5.8(9) . . . . ?
C10 C9 C18 C8 168.3(6) . . . . ?
N3 C9 C18 C26 179.6(5) . . . . ?
C10 C9 C18 C26 -6.2(9) . . . . ?
N3 C12 C19 C13 2.1(10) . . . . ?
C11 C12 C19 C13 -173.7(6) . . . . ?
N3 C12 C19 C31 171.3(5) . . . . ?
C11 C12 C19 C31 -4.5(9) . . . . ?
N4 C13 C19 C12 -1.2(10) . . . . ?
C14 C13 C19 C12 172.8(6) . . . . ?
N4 C13 C19 C31 -170.4(5) . . . . ?
C14 C13 C19 C31 3.5(9) . . . . ?
N4 C16 C20 C1 1.7(10) . . . . ?
C15 C16 C20 C1 -169.7(6) . . . . ?
N4 C16 C20 C36 169.6(5) . . . . ?
C15 C16 C20 C36 -1.8(8) . . . . ?
N1 C1 C20 C16 -4.1(9) . . . . ?
C2 C1 C20 C16 167.8(6) . . . . ?
N1 C1 C20 C36 -172.0(5) . . . . ?
C2 C1 C20 C36 -0.1(8) . . . . ?
C4 C17 C21 C22 -113.0(6) . . . . ?
C5 C17 C21 C22 59.1(8) . . . . ?
C4 C17 C21 C25 65.4(8) . . . . ?
C5 C17 C21 C25 -122.5(7) . . . . ?
C25 C21 C22 C23 -0.1(9) . . . . ?
C17 C21 C22 C23 178.4(6) . . . . ?
C21 C22 C23 N5 -0.6(10) . . . . ?
C22 C23 N5 C24 0.8(10) . . . . ?
C23 N5 C24 C25 -0.2(11) . . . . ?
N5 C24 C25 C21 -0.5(11) . . . . ?
C22 C21 C25 C24 0.6(10) . . . . ?
C17 C21 C25 C24 -177.8(6) . . . . ?
C8 C18 C26 C27 -111.1(7) . . . . ?
C9 C18 C26 C27 63.9(8) . . . . ?
C8 C18 C26 C30 69.4(8) . . . . ?
C9 C18 C26 C30 -115.6(7) . . . . ?
C30 C26 C27 C28 1.7(9) . . . . ?
C18 C26 C27 C28 -177.8(6) . . . . ?
C26 C27 C28 N6 -1.1(10) . . . . ?
C27 C28 N6 C29 0.0(10) . . . . ?
C28 N6 C29 C30 0.3(10) . . . . ?
N6 C29 C30 C26 0.4(11) . . . . ?
C27 C26 C30 C29 -1.4(10) . . . . ?
C18 C26 C30 C29 178.1(6) . . . . ?
C12 C19 C31 C35 87.6(8) . . . . ?
C13 C19 C31 C35 -102.1(8) . . . . ?
C12 C19 C31 C32 -92.7(7) . . . . ?
C13 C19 C31 C32 77.6(8) . . . . ?
C35 C31 C32 C33 -2.0(11) . . . . ?
C19 C31 C32 C33 178.2(7) . . . . ?
C31 C32 C33 N7 1.8(13) . . . . ?
C32 C33 N7 C34 -0.5(12) . . . . ?
C33 N7 C34 C35 -0.5(13) . . . . ?
C32 C31 C35 C34 1.1(11) . . . . ?
C19 C31 C35 C34 -179.2(7) . . . . ?
N7 C34 C35 C31 0.2(14) . . . . ?
C16 C20 C36 C40 96.8(8) . . . . ?
C1 C20 C36 C40 -94.1(8) . . . . ?
C16 C20 C36 C37 -82.7(7) . . . . ?
C1 C20 C36 C37 86.4(7) . . . . ?
C40 C36 C37 C38 -0.8(10) . . . . ?
C20 C36 C37 C38 178.7(6) . . . . ?
C36 C37 C38 N8 -0.6(11) . . . . ?
C37 C38 N8 C39 0.0(12) . . . . ?
C38 N8 C39 C40 2.2(15) . . . . ?
N8 C39 C40 C36 -3.7(17) . . . . ?
C37 C36 C40 C39 2.8(13) . . . . ?
C20 C36 C40 C39 -176.8(8) . . . . ?
C44 N9 C41 N16 -173.3(6) . . . . ?
Tb1 N9 C41 N16 32.6(8) . . . . ?
C44 N9 C41 C42 3.6(6) . . . . ?
Tb1 N9 C41 C42 -150.5(4) . . . . ?
N16 C41 C42 C57 1.3(10) . . . . ?
N9 C41 C42 C57 -175.9(6) . . . . ?
N16 C41 C42 C43 176.8(5) . . . . ?
N9 C41 C42 C43 -0.4(6) . . . . ?
C57 C42 C43 C60 -2.4(9) . . . . ?
C41 C42 C43 C60 -178.6(6) . . . . ?
C57 C42 C43 C44 173.5(5) . . . . ?
C41 C42 C43 C44 -2.7(6) . . . . ?
C41 N9 C44 N13 164.8(6) . . . . ?
Tb1 N9 C44 N13 -40.5(8) . . . . ?
C41 N9 C44 C43 -5.4(6) . . . . ?
Tb1 N9 C44 C43 149.4(4) . . . . ?
C60 C43 C44 N13 9.2(10) . . . . ?
C42 C43 C44 N13 -165.9(5) . . . . ?
C60 C43 C44 N9 -179.8(6) . . . . ?
C42 C43 C44 N9 5.1(6) . . . . ?
C48 N10 C45 N13 -171.6(5) . . . . ?
Tb1 N10 C45 N13 24.3(8) . . . . ?
C48 N10 C45 C46 2.5(6) . . . . ?
Tb1 N10 C45 C46 -161.6(4) . . . . ?
N13 C45 C46 C61 -6.1(10) . . . . ?
N10 C45 C46 C61 179.4(6) . . . . ?
N13 C45 C46 C47 172.9(5) . . . . ?
N10 C45 C46 C47 -1.6(6) . . . . ?
C61 C46 C47 C64 0.6(9) . . . . ?
C45 C46 C47 C64 -178.6(5) . . . . ?
C61 C46 C47 C48 179.2(5) . . . . ?
C45 C46 C47 C48 0.1(6) . . . . ?
C45 N10 C48 N14 173.4(6) . . . . ?
Tb1 N10 C48 N14 -22.5(8) . . . . ?
C45 N10 C48 C47 -2.5(6) . . . . ?
Tb1 N10 C48 C47 161.6(4) . . . . ?
C64 C47 C48 N14 3.6(10) . . . . ?
C46 C47 C48 N14 -174.8(5) . . . . ?
C64 C47 C48 N10 179.9(6) . . . . ?
C46 C47 C48 N10 1.5(6) . . . . ?
C52 N11 C49 N14 -169.1(6) . . . . ?
Tb1 N11 C49 N14 36.4(8) . . . . ?
C52 N11 C49 C50 5.5(6) . . . . ?
Tb1 N11 C49 C50 -148.9(4) . . . . ?
N14 C49 C50 C51 171.2(5) . . . . ?
N11 C49 C50 C51 -4.0(7) . . . . ?
N14 C49 C50 C65 -6.5(10) . . . . ?
N11 C49 C50 C65 178.3(6) . . . . ?
C65 C50 C51 C68 0.0(9) . . . . ?
C49 C50 C51 C68 -178.0(6) . . . . ?
C65 C50 C51 C52 179.0(6) . . . . ?
C49 C50 C51 C52 1.0(6) . . . . ?
C49 N11 C52 N15 171.7(6) . . . . ?
Tb1 N11 C52 N15 -34.0(8) . . . . ?
C49 N11 C52 C51 -4.9(6) . . . . ?
Tb1 N11 C52 C51 149.4(4) . . . . ?
C50 C51 C52 N15 -174.6(5) . . . . ?
C68 C51 C52 N15 4.2(10) . . . . ?
C50 C51 C52 N11 2.3(7) . . . . ?
C68 C51 C52 N11 -178.9(7) . . . . ?
C56 N12 C53 N15 -170.5(6) . . . . ?
Tb1 N12 C53 N15 35.4(8) . . . . ?
C56 N12 C53 C54 5.3(6) . . . . ?
Tb1 N12 C53 C54 -148.8(4) . . . . ?
N15 C53 C54 C69 -9.8(10) . . . . ?
N12 C53 C54 C69 174.0(6) . . . . ?
N15 C53 C54 C55 171.4(5) . . . . ?
N12 C53 C54 C55 -4.8(6) . . . . ?
C69 C54 C55 C72 2.5(9) . . . . ?
C53 C54 C55 C72 -178.4(5) . . . . ?
C69 C54 C55 C56 -176.6(5) . . . . ?
C53 C54 C55 C56 2.4(6) . . . . ?
C53 N12 C56 N16 175.5(6) . . . . ?
Tb1 N12 C56 N16 -31.2(8) . . . . ?
C53 N12 C56 C55 -3.9(6) . . . . ?
Tb1 N12 C56 C55 149.4(4) . . . . ?
C72 C55 C56 N16 2.4(10) . . . . ?
C54 C55 C56 N16 -178.6(5) . . . . ?
C72 C55 C56 N12 -178.3(6) . . . . ?
C54 C55 C56 N12 0.8(7) . . . . ?
N10 C45 N13 C44 12.6(9) . . . . ?
C46 C45 N13 C44 -161.0(5) . . . . ?
N9 C44 N13 C45 -3.3(9) . . . . ?
C43 C44 N13 C45 166.0(5) . . . . ?
N10 C48 N14 C49 -12.2(9) . . . . ?
C47 C48 N14 C49 163.3(5) . . . . ?
N11 C49 N14 C48 4.1(10) . . . . ?
C50 C49 N14 C48 -170.1(5) . . . . ?
N12 C53 N15 C52 6.7(9) . . . . ?
C54 C53 N15 C52 -168.6(5) . . . . ?
N11 C52 N15 C53 -8.1(9) . . . . ?
C51 C52 N15 C53 168.2(5) . . . . ?
N9 C41 N16 C56 6.1(9) . . . . ?
C42 C41 N16 C56 -170.5(5) . . . . ?
N12 C56 N16 C41 -6.6(9) . . . . ?
C55 C56 N16 C41 172.7(5) . . . . ?
C43 C42 C57 C58 2.4(9) . . . . ?
C41 C42 C57 C58 177.4(6) . . . . ?
C42 C57 C58 C59 -0.5(10) . . . . ?
C57 C58 C59 C60 -1.4(11) . . . . ?
C42 C43 C60 C59 0.4(9) . . . . ?
C44 C43 C60 C59 -174.0(6) . . . . ?
C58 C59 C60 C43 1.4(10) . . . . ?
C47 C46 C61 C62 0.6(8) . . . . ?
C45 C46 C61 C62 179.5(6) . . . . ?
C46 C61 C62 C63 -0.7(9) . . . . ?
C61 C62 C63 C64 -0.3(10) . . . . ?
C46 C47 C64 C63 -1.6(9) . . . . ?
C48 C47 C64 C63 -179.8(6) . . . . ?
C62 C63 C64 C47 1.5(10) . . . . ?
C51 C50 C65 C66 0.2(9) . . . . ?
C49 C50 C65 C66 177.6(6) . . . . ?
C50 C65 C66 C67 0.1(10) . . . . ?
C65 C66 C67 C68 -0.6(11) . . . . ?
C50 C51 C68 C67 -0.5(9) . . . . ?
C52 C51 C68 C67 -179.1(6) . . . . ?
C66 C67 C68 C51 0.8(10) . . . . ?
C55 C54 C69 C70 0.1(9) . . . . ?
C53 C54 C69 C70 -178.6(6) . . . . ?
C54 C69 C70 C71 -1.6(9) . . . . ?
C69 C70 C71 C72 0.5(10) . . . . ?
C54 C55 C72 C71 -3.6(9) . . . . ?
C56 C55 C72 C71 175.3(6) . . . . ?
C70 C71 C72 C55 2.1(9) . . . . ?

_refine_diff_density_max         2.505
_refine_diff_density_min         -1.529
_refine_diff_density_rms         0.149



_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?
_diffrn_radiation_source         ?
_diffrn_radiation_monochromator  graphite
_chemical_absolute_configuration ?
