#------------------------------------------------------------------------------
#$Date: 2021-03-05 04:21:50 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262701 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/01/7060171.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7060171
loop_
_publ_author_name
'Zhang, Xiao-Nuan'
'Hu, Jun-Jie'
'Zhang, Jia-Li'
'Liu, Sui-Jun'
'Liao, Jin-Sheng'
'Wen, He-Rui'
_publ_section_title
;
 Multifunctional ZnII--LnIII (Ln = Tb, Dy) complexes based on the
 amine-phenol ligand with field-induced slow magnetic relaxation,
 luminescence, and proton conduction
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3392
_journal_page_last               3399
_journal_paper_doi               10.1039/D0NJ04926C
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C44 H70 Cl3 N4 O29 Tb Zn2'
_chemical_formula_weight         1515.05
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-10-08 deposited with the CCDC.	2020-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                97.820(3)
_cell_angle_beta                 98.140(3)
_cell_angle_gamma                111.643(3)
_cell_formula_units_Z            2
_cell_length_a                   13.1190(15)
_cell_length_b                   14.3254(16)
_cell_length_c                   17.951(2)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4155
_cell_measurement_theta_min      2.9265
_cell_volume                     3038.5(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            52277
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.909
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.154
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_description       block
_exptl_crystal_F_000             1540
_refine_diff_density_max         2.263
_refine_diff_density_min         -1.273
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         10709
_refine_ls_number_restraints     314
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0548
_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)+(0.0358P)²+26.9633P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1227
_refine_ls_wR_factor_ref         0.1446
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8168
_reflns_number_total             10709
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj04926c2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7060170--7060171.cif.'
_cod_database_code               7060171
_shelx_shelxl_version_number     2017/1
_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'
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 0.23391(3) 0.25382(3) 0.25113(2) 0.02528(11) Uani 1 1 d . U . . .
Zn2 Zn 0.22559(7) 0.44632(6) 0.39552(5) 0.0290(2) Uani 1 1 d . U . . .
Zn3 Zn -0.05053(7) 0.07880(7) 0.18587(5) 0.0328(2) Uani 1 1 d . U . . .
O1 O 0.2178(4) 0.2965(3) 0.3766(3) 0.0280(10) Uani 1 1 d . U . . .
O2 O 0.1001(4) 0.0889(3) 0.2459(3) 0.0284(10) Uani 1 1 d . U . . .
C60 C 0.1577(7) 0.3373(7) 0.5222(5) 0.0459(19) Uani 1 1 d . U . . .
H60A H 0.084077 0.311718 0.488882 0.055 Uiso 1 1 calc R U . . .
H60B H 0.147859 0.340781 0.574880 0.055 Uiso 1 1 calc R U . . .
O4 O 0.2642(5) 0.6123(4) 0.4063(3) 0.0490(14) Uani 1 1 d . U . . .
O5 O 0.4093(4) 0.5456(4) 0.4549(3) 0.0404(12) Uani 1 1 d . U . . .
O6 O 0.4244(5) 0.5434(4) 0.2307(3) 0.0480(14) Uani 1 1 d . U . . .
O7 O 0.3318(4) 0.1847(4) 0.3495(3) 0.0345(11) Uani 1 1 d . U . . .
O8 O 0.0622(4) 0.2207(4) 0.1770(3) 0.0299(11) Uani 1 1 d . U . . .
O9 O 0.2385(4) 0.3146(4) 0.1243(3) 0.0346(11) Uani 1 1 d . U . . .
O12 O -0.1447(6) -0.0839(4) 0.1867(4) 0.0603(17) Uani 1 1 d . U . . .
O13 O -0.0566(5) -0.0274(5) 0.0758(3) 0.0607(16) Uani 1 1 d . U . . .
O20 O 0.2541(4) 0.4242(3) 0.2870(3) 0.0276(10) Uani 1 1 d . U . . .
O29 O 0.4276(4) 0.3577(4) 0.2662(3) 0.0382(12) Uani 1 1 d . U . . .
H29A H 0.437235 0.414082 0.248232 0.057 Uiso 1 1 d R U . . .
H29B H 0.459454 0.326763 0.237280 0.057 Uiso 1 1 d R U . . .
O30 O 0.2849(5) 0.1376(4) 0.1726(3) 0.0401(12) Uani 1 1 d . U . . .
H30A H 0.259025 0.076215 0.183819 0.060 Uiso 1 1 d R U . . .
H30B H 0.358033 0.155659 0.183023 0.060 Uiso 1 1 d R U . . .
N1 N 0.0700(6) 0.4553(6) 0.3526(4) 0.0429(15) Uani 1 1 d . U . . .
H1 H 0.012017 0.401647 0.369635 0.051 Uiso 1 1 calc R U . . .
N2 N -0.1747(6) 0.0922(6) 0.1060(4) 0.0528(17) Uani 1 1 d . U . . .
H2 H -0.247359 0.054129 0.118018 0.063 Uiso 1 1 calc R U . . .
N3 N -0.1137(5) 0.0797(5) 0.2888(4) 0.0410(15) Uani 1 1 d . U . . .
H3 H -0.133793 0.139246 0.295984 0.049 Uiso 1 1 calc R U . . .
N4 N 0.2248(5) 0.4422(5) 0.5118(4) 0.0393(15) Uani 1 1 d . U . . .
H4 H 0.187767 0.486597 0.529864 0.047 Uiso 1 1 calc R U . . .
C1 C 0.3229(7) 0.5508(6) 0.2131(4) 0.0376(17) Uani 1 1 d . U . . .
C2 C 0.2363(6) 0.4892(5) 0.2443(4) 0.0310(15) Uani 1 1 d . U . . .
C3 C 0.1325(7) 0.4949(6) 0.2307(4) 0.0386(17) Uani 1 1 d . U . . .
C4 C 0.1150(9) 0.5592(7) 0.1839(5) 0.055(2) Uani 1 1 d . U . . .
H4A H 0.044766 0.561902 0.173497 0.066 Uiso 1 1 calc R U . . .
C5 C 0.3041(9) 0.6158(7) 0.1679(5) 0.055(2) Uani 1 1 d . U . . .
H5 H 0.361623 0.657583 0.147555 0.066 Uiso 1 1 calc R U . . .
C6 C 0.1984(10) 0.6181(7) 0.1530(5) 0.062(3) Uani 1 1 d . U . . .
H6 H 0.184707 0.660502 0.121588 0.075 Uiso 1 1 calc R U . . .
C7 C 0.1417(6) 0.3201(5) 0.0892(4) 0.0297(15) Uani 1 1 d . U . . .
C8 C 0.0463(6) 0.2669(5) 0.1187(4) 0.0305(15) Uani 1 1 d . U . . .
C9 C 0.1326(8) 0.3729(6) 0.0315(4) 0.0413(19) Uani 1 1 d . U . . .
H9 H 0.195164 0.408416 0.012716 0.050 Uiso 1 1 calc R U . . .
C10 C -0.0574(7) 0.2655(6) 0.0864(4) 0.0409(18) Uani 1 1 d . U . . .
C11 C 0.0281(8) 0.3721(7) 0.0019(5) 0.056(2) Uani 1 1 d . U . . .
H11 H 0.021483 0.408294 -0.036476 0.067 Uiso 1 1 calc R U . . .
C12 C -0.0642(8) 0.3193(7) 0.0282(5) 0.053(2) Uani 1 1 d . U . . .
H12 H -0.133235 0.319074 0.007011 0.063 Uiso 1 1 calc R U . . .
C13 C 0.2425(6) 0.2506(5) 0.4332(4) 0.0291(15) Uani 1 1 d . U . . .
C14 C 0.2122(6) 0.2642(6) 0.5043(4) 0.0363(17) Uani 1 1 d . U . . .
C15 C 0.2377(8) 0.2115(7) 0.5582(5) 0.050(2) Uani 1 1 d . U . . .
H15 H 0.219087 0.220729 0.606000 0.060 Uiso 1 1 calc R U . . .
C16 C 0.2898(8) 0.1460(7) 0.5429(5) 0.055(2) Uani 1 1 d . U . . .
H16 H 0.303478 0.109528 0.579481 0.066 Uiso 1 1 calc R U . . .
C17 C 0.3222(7) 0.1337(6) 0.4733(5) 0.0415(19) Uani 1 1 d . U . . .
H17 H 0.357752 0.089491 0.462931 0.050 Uiso 1 1 calc R U . . .
C18 C 0.3011(6) 0.1878(5) 0.4198(4) 0.0295(15) Uani 1 1 d . U . . .
C19 C 0.1412(7) -0.0486(6) 0.2857(5) 0.0412(18) Uani 1 1 d . U . . .
C20 C 0.0221(8) -0.0470(7) 0.4000(5) 0.053(2) Uani 1 1 d . U . . .
H20 H -0.018125 -0.047098 0.438709 0.064 Uiso 1 1 calc R U . . .
C21 C 0.1337(9) -0.1151(7) 0.3358(6) 0.062(3) Uani 1 1 d . U . . .
H21 H 0.169031 -0.160512 0.331046 0.075 Uiso 1 1 calc R U . . .
C22 C 0.0742(10) -0.1140(8) 0.3923(6) 0.071(3) Uani 1 1 d . U . . .
H22 H 0.069010 -0.158897 0.425837 0.085 Uiso 1 1 calc R U . . .
C23 C 0.0909(6) 0.0223(5) 0.2939(4) 0.0315(15) Uani 1 1 d . U . . .
C24 C 0.0412(7) 0.4310(7) 0.2669(5) 0.0441(19) Uani 1 1 d . U . . .
H24A H -0.026531 0.441593 0.249861 0.053 Uiso 1 1 calc R U . . .
H24B H 0.025429 0.359087 0.248981 0.053 Uiso 1 1 calc R U . . .
C25 C 0.0685(9) 0.5547(8) 0.3880(6) 0.061(3) Uani 1 1 d . U . . .
H25A H 0.061145 0.554470 0.440974 0.073 Uiso 1 1 calc R U . . .
H25B H 0.004282 0.563155 0.360638 0.073 Uiso 1 1 calc R U . . .
C26 C 0.1750(9) 0.6437(8) 0.3855(6) 0.065(3) Uani 1 1 d . U . . .
H26A H 0.172681 0.658416 0.334230 0.079 Uiso 1 1 calc R U . . .
H26B H 0.184365 0.704763 0.421364 0.079 Uiso 1 1 calc R U . . .
C27 C 0.4500(8) 0.6296(7) 0.4173(6) 0.054(2) Uani 1 1 d . U . . .
H27A H 0.454035 0.604164 0.365364 0.065 Uiso 1 1 calc R U . . .
H27B H 0.525006 0.675787 0.444573 0.065 Uiso 1 1 calc R U . . .
C28 C 0.3747(9) 0.6870(7) 0.4146(6) 0.063(3) Uani 1 1 d . U . . .
H28A H 0.395121 0.737963 0.461647 0.075 Uiso 1 1 calc R U . . .
H28B H 0.380154 0.721341 0.371496 0.075 Uiso 1 1 calc R U . . .
C29 C 0.3301(7) 0.3447(7) 0.0854(5) 0.047(2) Uani 1 1 d . U . . .
H29C H 0.305062 0.308700 0.032769 0.070 Uiso 1 1 calc R U . . .
H29D H 0.389361 0.328295 0.110066 0.070 Uiso 1 1 calc R U . . .
H29E H 0.357117 0.417233 0.087399 0.070 Uiso 1 1 calc R U . . .
C30 C 0.5200(9) 0.6191(10) 0.2138(9) 0.095(4) Uani 1 1 d . U . . .
H30C H 0.509089 0.616102 0.159395 0.143 Uiso 1 1 calc R U . . .
H30D H 0.585465 0.606241 0.230818 0.143 Uiso 1 1 calc R U . . .
H30E H 0.529871 0.685894 0.239923 0.143 Uiso 1 1 calc R U . . .
C31 C 0.4171(7) 0.1467(7) 0.3407(5) 0.049(2) Uani 1 1 d . U . . .
H31A H 0.478721 0.179397 0.383977 0.074 Uiso 1 1 calc R U . . .
H31B H 0.442694 0.161294 0.294392 0.074 Uiso 1 1 calc R U . . .
H31C H 0.386921 0.073882 0.337692 0.074 Uiso 1 1 calc R U . . .
C32 C 0.2258(14) -0.1291(10) 0.2042(9) 0.112(5) Uani 1 1 d . U . . .
H32A H 0.286622 -0.125536 0.242755 0.167 Uiso 1 1 calc R U . . .
H32B H 0.248550 -0.126441 0.155752 0.167 Uiso 1 1 calc R U . . .
H32C H 0.162417 -0.192135 0.199769 0.167 Uiso 1 1 calc R U . . .
C33 C -0.0472(11) -0.1178(9) 0.0962(7) 0.082(3) Uani 1 1 d . U . . .
H33A H 0.027899 -0.099840 0.125348 0.098 Uiso 1 1 calc R U . . .
H33B H -0.058694 -0.166968 0.049732 0.098 Uiso 1 1 calc R U . . .
C34 C -0.1307(12) -0.1664(8) 0.1430(7) 0.089(4) Uani 1 1 d . U . . .
H34A H -0.201218 -0.213814 0.109891 0.107 Uiso 1 1 calc R U . . .
H34B H -0.102625 -0.203368 0.176315 0.107 Uiso 1 1 calc R U . . .
C35 C -0.1610(9) -0.0518(8) 0.0236(5) 0.072(3) Uani 1 1 d . U . . .
H35A H -0.222378 -0.101670 0.039711 0.086 Uiso 1 1 calc R U . . .
H35B H -0.158154 -0.079843 -0.028010 0.086 Uiso 1 1 calc R U . . .
C36 C -0.1760(10) 0.0446(8) 0.0258(5) 0.074(3) Uani 1 1 d . U . . .
H36A H -0.246811 0.031842 -0.007451 0.089 Uiso 1 1 calc R U . . .
H36B H -0.116461 0.091974 0.006460 0.089 Uiso 1 1 calc R U . . .
C37 C -0.2064(8) -0.1075(8) 0.2449(6) 0.069(3) Uani 1 1 d . U . . .
H37A H -0.167202 -0.129724 0.284110 0.083 Uiso 1 1 calc R U . . .
H37B H -0.279678 -0.161937 0.223463 0.083 Uiso 1 1 calc R U . . .
C38 C -0.2182(8) -0.0119(9) 0.2786(6) 0.068(3) Uani 1 1 d . U . . .
H38A H -0.277916 -0.003831 0.245125 0.082 Uiso 1 1 calc R U . . .
H38B H -0.238915 -0.018024 0.328009 0.082 Uiso 1 1 calc R U . . .
O39 O 0.1959(6) -0.0446(4) 0.2256(4) 0.0555(17) Uani 1 1 d . U . . .
C40 C -0.0290(7) 0.0932(6) 0.3585(4) 0.0396(18) Uani 1 1 d . U . . .
H40A H -0.065807 0.083891 0.401796 0.048 Uiso 1 1 calc R U . . .
H40B H 0.027064 0.162951 0.369856 0.048 Uiso 1 1 calc R U . . .
C41 C -0.1603(7) 0.2012(8) 0.1131(5) 0.054(2) Uani 1 1 d . U . . .
H41A H -0.154672 0.230025 0.166348 0.065 Uiso 1 1 calc R U . . .
H41B H -0.226106 0.204074 0.082822 0.065 Uiso 1 1 calc R U . . .
C43 C 0.0285(6) 0.0208(6) 0.3508(4) 0.0338(16) Uani 1 1 d . U . . .
C44 C 0.3402(7) 0.4843(7) 0.5604(5) 0.047(2) Uani 1 1 d . U . . .
H44A H 0.337180 0.502690 0.613809 0.057 Uiso 1 1 calc R U . . .
H44B H 0.371105 0.432257 0.556080 0.057 Uiso 1 1 calc R U . . .
C45 C 0.4131(7) 0.5755(6) 0.5356(5) 0.045(2) Uani 1 1 d . U . . .
H45A H 0.386528 0.630154 0.543953 0.054 Uiso 1 1 calc R U . . .
H45B H 0.489308 0.599858 0.564759 0.054 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7964(2) 0.2754(2) 0.38850(16) 0.0678(7) Uani 1 1 d . U . . .
O14 O 0.8001(14) 0.2477(10) 0.3125(6) 0.175(6) Uani 1 1 d . U . . .
O15 O 0.8784(13) 0.2625(14) 0.4291(8) 0.213(7) Uani 1 1 d . U . . .
O16 O 0.8238(17) 0.3805(10) 0.4079(9) 0.218(7) Uani 1 1 d . U . . .
O17 O 0.7028(11) 0.2300(14) 0.4063(10) 0.245(9) Uani 1 1 d . U . . .
Cl2 Cl 0.8070(4) 0.5752(4) 0.2181(4) 0.1264(17) Uani 1 1 d . U . . .
O21 O 0.8055(14) 0.4895(16) 0.227(2) 0.454(19) Uani 1 1 d . U . . .
O22 O 0.754(2) 0.5778(17) 0.1524(10) 0.277(10) Uani 1 1 d . U . . .
O23 O 0.9203(13) 0.6413(13) 0.2288(15) 0.266(10) Uani 1 1 d . U . . .
O24 O 0.7598(19) 0.603(3) 0.2655(12) 0.371(15) Uani 1 1 d . U . . .
Cl3 Cl 0.5036(6) 0.8880(7) 0.1017(5) 0.210(3) Uani 1 1 d D U . . .
O25 O 0.4981(14) 0.904(3) 0.1766(14) 0.377(15) Uani 1 1 d . U . . .
O26 O 0.5760(14) 0.9935(19) 0.112(2) 0.417(16) Uani 1 1 d . U . . .
O27 O 0.3999(13) 0.861(2) 0.0675(12) 0.306(11) Uani 1 1 d . U . . .
O31 O 0.563(3) 0.826(3) 0.082(2) 0.439(16) Uani 1 1 d D U . . .
O1W O 0.6000(8) 0.3190(9) 0.2301(7) 0.131(4) Uani 1 1 d . . . . .
O2W O 0.4541(10) 0.1451(11) 0.1061(8) 0.175(6) Uani 1 1 d . . . . .
O3W O 0.5742(14) 0.4509(16) 0.0212(10) 0.223(8) Uani 1 1 d . . . . .
O4W O 0.532(3) -0.033(3) 0.355(2) 0.246(16) Uani 0.5 1 d . U P . .
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'
Cl Cl 0.1484 0.1585 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O8 Tb1 O1 105.37(17) . . ?
O8 Tb1 O20 87.84(17) . . ?
O1 Tb1 O20 66.60(16) . . ?
O8 Tb1 O2 66.63(16) . . ?
O1 Tb1 O2 87.75(16) . . ?
O20 Tb1 O2 137.91(16) . . ?
O8 Tb1 O29 141.32(17) . . ?
O1 Tb1 O29 97.88(18) . . ?
O20 Tb1 O29 73.46(18) . . ?
O2 Tb1 O29 145.87(18) . . ?
O8 Tb1 O30 98.68(18) . . ?
O1 Tb1 O30 140.49(17) . . ?
O20 Tb1 O30 146.17(18) . . ?
O2 Tb1 O30 73.52(18) . . ?
O29 Tb1 O30 81.25(19) . . ?
O8 Tb1 O9 64.52(16) . . ?
O1 Tb1 O9 143.25(16) . . ?
O20 Tb1 O9 77.47(16) . . ?
O2 Tb1 O9 115.97(16) . . ?
O29 Tb1 O9 78.31(17) . . ?
O30 Tb1 O9 75.66(18) . . ?
O8 Tb1 O7 142.26(16) . . ?
O1 Tb1 O7 64.58(16) . . ?
O20 Tb1 O7 116.63(16) . . ?
O2 Tb1 O7 76.41(17) . . ?
O29 Tb1 O7 75.84(17) . . ?
O30 Tb1 O7 77.16(17) . . ?
O9 Tb1 O7 144.81(17) . . ?
O8 Tb1 Zn3 33.38(12) . . ?
O1 Tb1 Zn3 94.99(12) . . ?
O20 Tb1 Zn3 113.07(12) . . ?
O2 Tb1 Zn3 33.47(12) . . ?
O29 Tb1 Zn3 167.08(13) . . ?
O30 Tb1 Zn3 88.12(14) . . ?
O9 Tb1 Zn3 92.00(11) . . ?
O7 Tb1 Zn3 109.04(12) . . ?
O8 Tb1 Zn2 95.38(13) . . ?
O1 Tb1 Zn2 33.88(11) . . ?
O20 Tb1 Zn2 32.87(12) . . ?
O2 Tb1 Zn2 113.76(11) . . ?
O29 Tb1 Zn2 86.95(13) . . ?
O30 Tb1 Zn2 165.87(14) . . ?
O9 Tb1 Zn2 109.60(12) . . ?
O7 Tb1 Zn2 92.49(11) . . ?
Zn3 Tb1 Zn2 104.51(2) . . ?
O20 Zn2 O1 76.54(18) . . ?
O20 Zn2 N4 162.7(2) . . ?
O1 Zn2 N4 89.4(2) . . ?
O20 Zn2 N1 91.1(2) . . ?
O1 Zn2 N1 113.0(2) . . ?
N4 Zn2 N1 103.9(3) . . ?
O20 Zn2 O4 95.6(2) . . ?
O1 Zn2 O4 168.7(2) . . ?
N4 Zn2 O4 96.7(2) . . ?
N1 Zn2 O4 74.7(2) . . ?
O20 Zn2 O5 96.21(19) . . ?
O1 Zn2 O5 104.32(19) . . ?
N4 Zn2 O5 77.2(2) . . ?
N1 Zn2 O5 142.6(2) . . ?
O4 Zn2 O5 68.1(2) . . ?
O20 Zn2 Tb1 38.58(13) . . ?
O1 Zn2 Tb1 38.14(13) . . ?
N4 Zn2 Tb1 127.34(19) . . ?
N1 Zn2 Tb1 102.48(18) . . ?
O4 Zn2 Tb1 134.09(17) . . ?
O5 Zn2 Tb1 105.96(14) . . ?
O2 Zn3 O8 76.31(18) . . ?
O2 Zn3 N2 163.8(2) . . ?
O8 Zn3 N2 90.1(2) . . ?
O2 Zn3 N3 90.5(2) . . ?
O8 Zn3 N3 114.1(2) . . ?
N2 Zn3 N3 103.2(3) . . ?
O2 Zn3 O12 96.0(2) . . ?
O8 Zn3 O12 167.9(2) . . ?
N2 Zn3 O12 95.9(3) . . ?
N3 Zn3 O12 74.9(3) . . ?
O2 Zn3 O13 96.9(2) . . ?
O8 Zn3 O13 103.1(2) . . ?
N2 Zn3 O13 77.4(3) . . ?
N3 Zn3 O13 142.8(3) . . ?
O12 Zn3 O13 68.1(2) . . ?
O2 Zn3 Tb1 39.00(13) . . ?
O8 Zn3 Tb1 37.58(13) . . ?
N2 Zn3 Tb1 127.6(2) . . ?
N3 Zn3 Tb1 102.33(18) . . ?
O12 Zn3 Tb1 134.85(19) . . ?
O13 Zn3 Tb1 106.25(16) . . ?
C13 O1 Zn2 123.8(4) . . ?
C13 O1 Tb1 123.8(4) . . ?
Zn2 O1 Tb1 107.98(19) . . ?
C23 O2 Zn3 114.5(4) . . ?
C23 O2 Tb1 132.3(4) . . ?
Zn3 O2 Tb1 107.5(2) . . ?
N4 C60 C14 112.3(6) . . ?
N4 C60 H60A 109.1 . . ?
C14 C60 H60A 109.1 . . ?
N4 C60 H60B 109.1 . . ?
C14 C60 H60B 109.1 . . ?
H60A C60 H60B 107.9 . . ?
C28 O4 C26 116.6(7) . . ?
C28 O4 Zn2 122.9(5) . . ?
C26 O4 Zn2 118.7(5) . . ?
C27 O5 C45 114.2(6) . . ?
C27 O5 Zn2 108.3(5) . . ?
C45 O5 Zn2 107.9(5) . . ?
C1 O6 C30 118.3(7) . . ?
C18 O7 C31 116.8(6) . . ?
C18 O7 Tb1 115.8(4) . . ?
C31 O7 Tb1 127.4(5) . . ?
C8 O8 Zn3 123.1(4) . . ?
C8 O8 Tb1 124.4(4) . . ?
Zn3 O8 Tb1 109.0(2) . . ?
C7 O9 C29 115.9(6) . . ?
C7 O9 Tb1 116.0(4) . . ?
C29 O9 Tb1 128.1(5) . . ?
C34 O12 C37 116.3(8) . . ?
C34 O12 Zn3 124.3(7) . . ?
C37 O12 Zn3 118.2(6) . . ?
C33 O13 C35 111.5(8) . . ?
C33 O13 Zn3 108.3(5) . . ?
C35 O13 Zn3 108.2(6) . . ?
C2 O20 Zn2 114.7(4) . . ?
C2 O20 Tb1 130.7(4) . . ?
Zn2 O20 Tb1 108.5(2) . . ?
Tb1 O29 H29A 111.1 . . ?
Tb1 O29 H29B 110.7 . . ?
H29A O29 H29B 103.0 . . ?
Tb1 O30 H30A 111.0 . . ?
Tb1 O30 H30B 110.6 . . ?
H30A O30 H30B 103.1 . . ?
C25 N1 C24 114.3(7) . . ?
C25 N1 Zn2 110.8(5) . . ?
C24 N1 Zn2 111.6(5) . . ?
C25 N1 H1 106.6 . . ?
C24 N1 H1 106.6 . . ?
Zn2 N1 H1 106.6 . . ?
C41 N2 C36 112.0(7) . . ?
C41 N2 Zn3 110.8(5) . . ?
C36 N2 Zn3 110.9(6) . . ?
C41 N2 H2 107.7 . . ?
C36 N2 H2 107.7 . . ?
Zn3 N2 H2 107.7 . . ?
C38 N3 C40 113.4(7) . . ?
C38 N3 Zn3 109.6(5) . . ?
C40 N3 Zn3 113.3(5) . . ?
C38 N3 H3 106.7 . . ?
C40 N3 H3 106.7 . . ?
Zn3 N3 H3 106.7 . . ?
C60 N4 C44 111.3(7) . . ?
C60 N4 Zn2 111.6(5) . . ?
C44 N4 Zn2 112.4(5) . . ?
C60 N4 H4 107.1 . . ?
C44 N4 H4 107.1 . . ?
Zn2 N4 H4 107.1 . . ?
O6 C1 C5 123.3(8) . . ?
O6 C1 C2 116.7(6) . . ?
C5 C1 C2 120.0(8) . . ?
O20 C2 C3 120.3(7) . . ?
O20 C2 C1 119.9(7) . . ?
C3 C2 C1 119.8(7) . . ?
C2 C3 C4 119.2(9) . . ?
C2 C3 C24 119.3(7) . . ?
C4 C3 C24 121.5(8) . . ?
C6 C4 C3 121.1(9) . . ?
C6 C4 H4A 119.5 . . ?
C3 C4 H4A 119.5 . . ?
C1 C5 C6 119.3(9) . . ?
C1 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C4 C6 C5 120.6(8) . . ?
C4 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
O9 C7 C9 125.6(7) . . ?
O9 C7 C8 113.8(6) . . ?
C9 C7 C8 120.5(7) . . ?
O8 C8 C10 123.7(7) . . ?
O8 C8 C7 117.3(6) . . ?
C10 C8 C7 118.9(7) . . ?
C7 C9 C11 119.0(8) . . ?
C7 C9 H9 120.5 . . ?
C11 C9 H9 120.5 . . ?
C12 C10 C8 119.3(8) . . ?
C12 C10 C41 121.8(8) . . ?
C8 C10 C41 118.8(7) . . ?
C12 C11 C9 121.0(8) . . ?
C12 C11 H11 119.5 . . ?
C9 C11 H11 119.5 . . ?
C11 C12 C10 121.2(8) . . ?
C11 C12 H12 119.4 . . ?
C10 C12 H12 119.4 . . ?
O1 C13 C14 122.2(7) . . ?
O1 C13 C18 118.3(6) . . ?
C14 C13 C18 119.4(7) . . ?
C15 C14 C13 118.4(8) . . ?
C15 C14 C60 121.2(7) . . ?
C13 C14 C60 120.4(7) . . ?
C16 C15 C14 121.6(8) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 120.4(8) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 119.1(8) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C17 C18 O7 124.8(7) . . ?
C17 C18 C13 120.9(7) . . ?
O7 C18 C13 114.3(6) . . ?
O39 C19 C21 125.2(8) . . ?
O39 C19 C23 114.4(7) . . ?
C21 C19 C23 120.4(8) . . ?
C22 C20 C43 120.9(9) . . ?
C22 C20 H20 119.5 . . ?
C43 C20 H20 119.5 . . ?
C22 C21 C19 120.0(9) . . ?
C22 C21 H21 120.0 . . ?
C19 C21 H21 120.0 . . ?
C21 C22 C20 120.4(9) . . ?
C21 C22 H22 119.8 . . ?
C20 C22 H22 119.8 . . ?
O2 C23 C43 120.7(7) . . ?
O2 C23 C19 120.5(7) . . ?
C43 C23 C19 118.8(7) . . ?
N1 C24 C3 113.6(7) . . ?
N1 C24 H24A 108.9 . . ?
C3 C24 H24A 108.9 . . ?
N1 C24 H24B 108.9 . . ?
C3 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
N1 C25 C26 111.0(7) . . ?
N1 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
N1 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
O4 C26 C25 105.9(8) . . ?
O4 C26 H26A 110.5 . . ?
C25 C26 H26A 110.5 . . ?
O4 C26 H26B 110.5 . . ?
C25 C26 H26B 110.5 . . ?
H26A C26 H26B 108.7 . . ?
O5 C27 C28 110.9(8) . . ?
O5 C27 H27A 109.5 . . ?
C28 C27 H27A 109.5 . . ?
O5 C27 H27B 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 108.0 . . ?
O4 C28 C27 106.1(7) . . ?
O4 C28 H28A 110.5 . . ?
C27 C28 H28A 110.5 . . ?
O4 C28 H28B 110.5 . . ?
C27 C28 H28B 110.5 . . ?
H28A C28 H28B 108.7 . . ?
O9 C29 H29C 109.5 . . ?
O9 C29 H29D 109.5 . . ?
H29C C29 H29D 109.5 . . ?
O9 C29 H29E 109.5 . . ?
H29C C29 H29E 109.5 . . ?
H29D C29 H29E 109.5 . . ?
O6 C30 H30C 109.5 . . ?
O6 C30 H30D 109.5 . . ?
H30C C30 H30D 109.5 . . ?
O6 C30 H30E 109.5 . . ?
H30C C30 H30E 109.5 . . ?
H30D C30 H30E 109.5 . . ?
O7 C31 H31A 109.5 . . ?
O7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O39 C32 H32A 109.5 . . ?
O39 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O39 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O13 C33 C34 112.1(10) . . ?
O13 C33 H33A 109.2 . . ?
C34 C33 H33A 109.2 . . ?
O13 C33 H33B 109.2 . . ?
C34 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
O12 C34 C33 105.0(8) . . ?
O12 C34 H34A 110.7 . . ?
C33 C34 H34A 110.7 . . ?
O12 C34 H34B 110.7 . . ?
C33 C34 H34B 110.7 . . ?
H34A C34 H34B 108.8 . . ?
O13 C35 C36 106.1(8) . . ?
O13 C35 H35A 110.5 . . ?
C36 C35 H35A 110.5 . . ?
O13 C35 H35B 110.5 . . ?
C36 C35 H35B 110.5 . . ?
H35A C35 H35B 108.7 . . ?
C35 C36 N2 111.4(8) . . ?
C35 C36 H36A 109.3 . . ?
N2 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
N2 C36 H36B 109.3 . . ?
H36A C36 H36B 108.0 . . ?
O12 C37 C38 106.8(8) . . ?
O12 C37 H37A 110.4 . . ?
C38 C37 H37A 110.4 . . ?
O12 C37 H37B 110.4 . . ?
C38 C37 H37B 110.4 . . ?
H37A C37 H37B 108.6 . . ?
N3 C38 C37 112.0(8) . . ?
N3 C38 H38A 109.2 . . ?
C37 C38 H38A 109.2 . . ?
N3 C38 H38B 109.2 . . ?
C37 C38 H38B 109.2 . . ?
H38A C38 H38B 107.9 . . ?
C19 O39 C32 116.1(8) . . ?
N3 C40 C43 113.9(6) . . ?
N3 C40 H40A 108.8 . . ?
C43 C40 H40A 108.8 . . ?
N3 C40 H40B 108.8 . . ?
C43 C40 H40B 108.8 . . ?
H40A C40 H40B 107.7 . . ?
N2 C41 C10 112.6(8) . . ?
N2 C41 H41A 109.1 . . ?
C10 C41 H41A 109.1 . . ?
N2 C41 H41B 109.1 . . ?
C10 C41 H41B 109.1 . . ?
H41A C41 H41B 107.8 . . ?
C20 C43 C23 119.4(8) . . ?
C20 C43 C40 121.1(8) . . ?
C23 C43 C40 119.5(7) . . ?
C45 C44 N4 110.3(7) . . ?
C45 C44 H44A 109.6 . . ?
N4 C44 H44A 109.6 . . ?
C45 C44 H44B 109.6 . . ?
N4 C44 H44B 109.6 . . ?
H44A C44 H44B 108.1 . . ?
O5 C45 C44 107.4(6) . . ?
O5 C45 H45A 110.2 . . ?
C44 C45 H45A 110.2 . . ?
O5 C45 H45B 110.2 . . ?
C44 C45 H45B 110.2 . . ?
H45A C45 H45B 108.5 . . ?
O17 Cl1 O15 113.0(14) . . ?
O17 Cl1 O14 115.3(10) . . ?
O15 Cl1 O14 106.2(9) . . ?
O17 Cl1 O16 107.5(11) . . ?
O15 Cl1 O16 104.1(12) . . ?
O14 Cl1 O16 110.2(8) . . ?
O24 Cl2 O21 107(2) . . ?
O24 Cl2 O22 104.8(16) . . ?
O21 Cl2 O22 117(2) . . ?
O24 Cl2 O23 112.8(18) . . ?
O21 Cl2 O23 106.6(10) . . ?
O22 Cl2 O23 109.0(14) . . ?
O27 Cl3 O25 102.0(15) . . ?
O27 Cl3 O31 120(2) . . ?
O25 Cl3 O31 115(2) . . ?
O27 Cl3 O26 116.8(16) . . ?
O25 Cl3 O26 89(2) . . ?
O31 Cl3 O26 109.2(19) . . ?
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 O8 2.294(5) . ?
Tb1 O1 2.313(5) . ?
Tb1 O20 2.343(5) . ?
Tb1 O2 2.347(5) . ?
Tb1 O29 2.377(5) . ?
Tb1 O30 2.378(5) . ?
Tb1 O9 2.547(5) . ?
Tb1 O7 2.554(5) . ?
Tb1 Zn3 3.5560(10) . ?
Tb1 Zn2 3.5625(9) . ?
Zn2 O20 2.039(5) . ?
Zn2 O1 2.088(5) . ?
Zn2 N4 2.098(6) . ?
Zn2 N1 2.133(6) . ?
Zn2 O4 2.216(5) . ?
Zn2 O5 2.302(5) . ?
Zn3 O2 2.057(5) . ?
Zn3 O8 2.070(5) . ?
Zn3 N2 2.095(7) . ?
Zn3 N3 2.129(6) . ?
Zn3 O12 2.202(6) . ?
Zn3 O13 2.297(6) . ?
O1 C13 1.347(8) . ?
O2 C23 1.355(8) . ?
C60 N4 1.488(11) . ?
C60 C14 1.496(12) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
O4 C28 1.421(11) . ?
O4 C26 1.421(11) . ?
O5 C27 1.428(10) . ?
O5 C45 1.443(10) . ?
O6 C1 1.371(10) . ?
O6 C30 1.426(11) . ?
O7 C18 1.377(9) . ?
O7 C31 1.432(9) . ?
O8 C8 1.342(8) . ?
O9 C7 1.370(9) . ?
O9 C29 1.433(9) . ?
O12 C34 1.413(13) . ?
O12 C37 1.414(11) . ?
O13 C33 1.436(13) . ?
O13 C35 1.438(12) . ?
O20 C2 1.346(8) . ?
O29 H29A 0.8831 . ?
O29 H29B 0.8817 . ?
O30 H30A 0.8806 . ?
O30 H30B 0.8807 . ?
N1 C25 1.486(11) . ?
N1 C24 1.491(10) . ?
N1 H1 0.9800 . ?
N2 C41 1.487(12) . ?
N2 C36 1.502(12) . ?
N2 H2 0.9800 . ?
N3 C38 1.474(11) . ?
N3 C40 1.490(10) . ?
N3 H3 0.9800 . ?
N4 C44 1.492(10) . ?
N4 H4 0.9800 . ?
C1 C5 1.381(11) . ?
C1 C2 1.399(11) . ?
C2 C3 1.383(11) . ?
C3 C4 1.385(12) . ?
C3 C24 1.507(12) . ?
C4 C6 1.354(14) . ?
C4 H4A 0.9300 . ?
C5 C6 1.388(14) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C9 1.379(10) . ?
C7 C8 1.422(10) . ?
C8 C10 1.393(11) . ?
C9 C11 1.393(12) . ?
C9 H9 0.9300 . ?
C10 C12 1.391(11) . ?
C10 C41 1.512(12) . ?
C11 C12 1.359(13) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.400(10) . ?
C13 C18 1.401(11) . ?
C14 C15 1.382(11) . ?
C15 C16 1.371(13) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.372(10) . ?
C17 H17 0.9300 . ?
C19 O39 1.374(10) . ?
C19 C21 1.385(12) . ?
C19 C23 1.403(11) . ?
C20 C22 1.371(15) . ?
C20 C43 1.387(11) . ?
C20 H20 0.9300 . ?
C21 C22 1.367(15) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C43 1.395(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.516(15) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.500(13) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29C 0.9600 . ?
C29 H29D 0.9600 . ?
C29 H29E 0.9600 . ?
C30 H30C 0.9600 . ?
C30 H30D 0.9600 . ?
C30 H30E 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 O39 1.425(11) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.499(16) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.461(15) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 C38 1.489(15) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C40 C43 1.494(11) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C44 C45 1.475(12) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
Cl1 O17 1.269(12) . ?
Cl1 O15 1.298(11) . ?
Cl1 O14 1.380(9) . ?
Cl1 O16 1.392(12) . ?
Cl2 O24 1.225(18) . ?
Cl2 O21 1.256(16) . ?
Cl2 O22 1.296(18) . ?
Cl2 O23 1.404(15) . ?
Cl3 O27 1.300(15) . ?
Cl3 O25 1.35(2) . ?
Cl3 O31 1.422(18) . ?
Cl3 O26 1.43(2) . ?
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
C14 C60 N4 C44 -57.3(8) . . . . ?
C14 C60 N4 Zn2 69.1(7) . . . . ?
C30 O6 C1 C5 12.0(13) . . . . ?
C30 O6 C1 C2 -167.2(9) . . . . ?
Zn2 O20 C2 C3 -57.9(8) . . . . ?
Tb1 O20 C2 C3 91.1(8) . . . . ?
Zn2 O20 C2 C1 122.4(6) . . . . ?
Tb1 O20 C2 C1 -88.6(8) . . . . ?
O6 C1 C2 O20 -2.2(10) . . . . ?
C5 C1 C2 O20 178.6(7) . . . . ?
O6 C1 C2 C3 178.2(7) . . . . ?
C5 C1 C2 C3 -1.1(11) . . . . ?
O20 C2 C3 C4 -177.3(7) . . . . ?
C1 C2 C3 C4 2.3(11) . . . . ?
O20 C2 C3 C24 2.5(10) . . . . ?
C1 C2 C3 C24 -177.8(7) . . . . ?
C2 C3 C4 C6 -1.7(13) . . . . ?
C24 C3 C4 C6 178.5(8) . . . . ?
O6 C1 C5 C6 180.0(8) . . . . ?
C2 C1 C5 C6 -0.9(13) . . . . ?
C3 C4 C6 C5 -0.3(14) . . . . ?
C1 C5 C6 C4 1.5(14) . . . . ?
C29 O9 C7 C9 -15.9(10) . . . . ?
Tb1 O9 C7 C9 163.5(6) . . . . ?
C29 O9 C7 C8 165.4(6) . . . . ?
Tb1 O9 C7 C8 -15.2(7) . . . . ?
Zn3 O8 C8 C10 39.5(9) . . . . ?
Tb1 O8 C8 C10 -163.9(6) . . . . ?
Zn3 O8 C8 C7 -140.7(5) . . . . ?
Tb1 O8 C8 C7 15.9(9) . . . . ?
O9 C7 C8 O8 1.4(9) . . . . ?
C9 C7 C8 O8 -177.3(7) . . . . ?
O9 C7 C8 C10 -178.8(6) . . . . ?
C9 C7 C8 C10 2.5(11) . . . . ?
O9 C7 C9 C11 -179.4(7) . . . . ?
C8 C7 C9 C11 -0.9(11) . . . . ?
O8 C8 C10 C12 177.4(7) . . . . ?
C7 C8 C10 C12 -2.4(12) . . . . ?
O8 C8 C10 C41 -5.5(12) . . . . ?
C7 C8 C10 C41 174.7(7) . . . . ?
C7 C9 C11 C12 -0.9(14) . . . . ?
C9 C11 C12 C10 1.0(15) . . . . ?
C8 C10 C12 C11 0.7(14) . . . . ?
C41 C10 C12 C11 -176.3(9) . . . . ?
Zn2 O1 C13 C14 38.9(9) . . . . ?
Tb1 O1 C13 C14 -167.6(5) . . . . ?
Zn2 O1 C13 C18 -140.8(5) . . . . ?
Tb1 O1 C13 C18 12.7(8) . . . . ?
O1 C13 C14 C15 177.9(7) . . . . ?
C18 C13 C14 C15 -2.4(11) . . . . ?
O1 C13 C14 C60 -4.5(11) . . . . ?
C18 C13 C14 C60 175.1(7) . . . . ?
N4 C60 C14 C15 122.9(8) . . . . ?
N4 C60 C14 C13 -54.5(9) . . . . ?
C13 C14 C15 C16 -1.1(12) . . . . ?
C60 C14 C15 C16 -178.6(8) . . . . ?
C14 C15 C16 C17 2.4(14) . . . . ?
C15 C16 C17 C18 -0.2(13) . . . . ?
C16 C17 C18 O7 178.1(7) . . . . ?
C16 C17 C18 C13 -3.3(11) . . . . ?
C31 O7 C18 C17 -18.3(10) . . . . ?
Tb1 O7 C18 C17 163.8(6) . . . . ?
C31 O7 C18 C13 163.0(6) . . . . ?
Tb1 O7 C18 C13 -15.0(7) . . . . ?
O1 C13 C18 C17 -175.7(6) . . . . ?
C14 C13 C18 C17 4.6(11) . . . . ?
O1 C13 C18 O7 3.1(9) . . . . ?
C14 C13 C18 O7 -176.6(6) . . . . ?
O39 C19 C21 C22 -178.2(9) . . . . ?
C23 C19 C21 C22 1.9(15) . . . . ?
C19 C21 C22 C20 -0.2(16) . . . . ?
C43 C20 C22 C21 0.0(16) . . . . ?
Zn3 O2 C23 C43 -56.3(8) . . . . ?
Tb1 O2 C23 C43 93.1(8) . . . . ?
Zn3 O2 C23 C19 121.7(6) . . . . ?
Tb1 O2 C23 C19 -88.9(8) . . . . ?
O39 C19 C23 O2 -1.3(11) . . . . ?
C21 C19 C23 O2 178.7(8) . . . . ?
O39 C19 C23 C43 176.8(7) . . . . ?
C21 C19 C23 C43 -3.3(12) . . . . ?
C25 N1 C24 C3 72.9(9) . . . . ?
Zn2 N1 C24 C3 -53.8(8) . . . . ?
C2 C3 C24 N1 61.1(9) . . . . ?
C4 C3 C24 N1 -119.1(8) . . . . ?
C24 N1 C25 C26 -79.3(9) . . . . ?
Zn2 N1 C25 C26 47.8(9) . . . . ?
C28 O4 C26 C25 -174.7(8) . . . . ?
Zn2 O4 C26 C25 20.3(9) . . . . ?
N1 C25 C26 O4 -42.9(10) . . . . ?
C45 O5 C27 C28 -66.4(9) . . . . ?
Zn2 O5 C27 C28 53.8(8) . . . . ?
C26 O4 C28 C27 -166.5(8) . . . . ?
Zn2 O4 C28 C27 -2.2(10) . . . . ?
O5 C27 C28 O4 -34.2(10) . . . . ?
C35 O13 C33 C34 -66.9(11) . . . . ?
Zn3 O13 C33 C34 52.1(10) . . . . ?
C37 O12 C34 C33 -170.4(9) . . . . ?
Zn3 O12 C34 C33 -3.3(13) . . . . ?
O13 C33 C34 O12 -32.5(13) . . . . ?
C33 O13 C35 C36 163.1(9) . . . . ?
Zn3 O13 C35 C36 44.2(9) . . . . ?
O13 C35 C36 N2 -57.3(11) . . . . ?
C41 N2 C36 C35 165.3(8) . . . . ?
Zn3 N2 C36 C35 41.0(10) . . . . ?
C34 O12 C37 C38 -175.5(9) . . . . ?
Zn3 O12 C37 C38 16.6(10) . . . . ?
C40 N3 C38 C37 -79.4(9) . . . . ?
Zn3 N3 C38 C37 48.3(9) . . . . ?
O12 C37 C38 N3 -41.5(10) . . . . ?
C21 C19 O39 C32 13.9(14) . . . . ?
C23 C19 O39 C32 -166.2(10) . . . . ?
C38 N3 C40 C43 74.6(9) . . . . ?
Zn3 N3 C40 C43 -51.1(8) . . . . ?
C36 N2 C41 C10 -54.8(9) . . . . ?
Zn3 N2 C41 C10 69.6(8) . . . . ?
C12 C10 C41 N2 122.4(9) . . . . ?
C8 C10 C41 N2 -54.6(10) . . . . ?
C22 C20 C43 C23 -1.4(13) . . . . ?
C22 C20 C43 C40 179.4(8) . . . . ?
O2 C23 C43 C20 -178.9(7) . . . . ?
C19 C23 C43 C20 3.0(11) . . . . ?
O2 C23 C43 C40 0.3(10) . . . . ?
C19 C23 C43 C40 -177.8(7) . . . . ?
N3 C40 C43 C20 -120.2(8) . . . . ?
N3 C40 C43 C23 60.7(9) . . . . ?
C60 N4 C44 C45 166.1(7) . . . . ?
Zn2 N4 C44 C45 40.0(8) . . . . ?
C27 O5 C45 C44 163.9(7) . . . . ?
Zn2 O5 C45 C44 43.4(7) . . . . ?
N4 C44 C45 O5 -55.9(9) . . . . ?
