# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 2088972'
loop_
_audit_author_name
_audit_author_address
'Xiu-Mei Zhang'
;Huaibei Normal University
China
;
_audit_update_record             
;
2021-06-09 deposited with the CCDC.	2021-07-21 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            'C72 H99 Eu2 N25 O28 Zn3'
_chemical_formula_weight         2262.79

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.701(2)
_cell_length_b                   21.472(3)
_cell_length_c                   27.809(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9376(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9926
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      25.60

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_F_000             4584
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    2.162
_shelx_estimated_absorpt_T_min   0.625
_shelx_estimated_absorpt_T_max   0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_T_max  0.672
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49098
_diffrn_reflns_av_unetI/netI     0.0588
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.174
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             16460
_reflns_number_gt                14335
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.832
_reflns_Friedel_fraction_max     0.995
_reflns_Friedel_fraction_full    0.995

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0768P)²+10.2948P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 5660 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.014(6)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         16460
_refine_ls_number_parameters     1216
_refine_ls_number_restraints     3154
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0487
_refine_ls_wR_factor_ref         0.1324
_refine_ls_wR_factor_gt          0.1260
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.007
_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
Eu1 Eu 1.01580(3) 0.19808(2) 0.39234(2) 0.02304(14) Uani 1 1 d . U . . .
Eu2 Eu -0.01221(3) 0.20759(2) 0.09116(2) 0.02580(14) Uani 1 1 d . U . . .
Zn1 Zn 0.50563(8) 0.54151(7) 0.26194(6) 0.0441(4) Uani 1 1 d . U . . .
Zn2 Zn 0.86698(7) 0.33876(5) 0.44263(4) 0.0234(3) Uani 1 1 d . U . . .
Zn3 Zn 0.14589(7) 0.33904(5) 0.04476(5) 0.0245(3) Uani 1 1 d . U . . .
N1S N 0.0517(19) 0.6792(12) 0.8798(10) 0.189(7) Uani 1 1 d D U . . .
N1 N 0.9868(12) 0.0082(7) 0.3342(6) 0.098(3) Uani 1 1 d . U . . .
N2S N 0.7339(13) 0.6488(10) 0.2882(7) 0.132(4) Uani 1 1 d D U . . .
N2 N 1.2720(10) 0.1001(9) 0.4003(6) 0.099(4) Uani 1 1 d . U . . .
N3 N 0.2055(6) -0.0362(4) 0.0327(4) 0.0350(18) Uani 1 1 d . U . . .
N3S N 0.3912(14) 0.7734(11) 0.3221(9) 0.157(5) Uani 1 1 d D U . . .
N4 N 0.2144(6) -0.0981(4) 0.0312(4) 0.0318(18) Uani 1 1 d . U . . .
N4S N 0.3105(15) 0.5870(13) 0.1518(10) 0.179(6) Uani 1 1 d D U . . .
N5 N 0.2912(6) -0.1123(4) 0.0157(4) 0.037(2) Uani 1 1 d . U . . .
N6 N 0.3327(6) -0.0604(4) 0.0065(4) 0.0375(19) Uani 1 1 d . U . . .
N7 N 0.2838(8) 0.4679(6) 0.3053(5) 0.062(2) Uani 1 1 d . U . . .
N8 N 0.3479(8) 0.5078(7) 0.3051(5) 0.072(2) Uani 1 1 d . U . . .
N9 N 0.3955(8) 0.4985(6) 0.2668(5) 0.058(2) Uani 1 1 d . U . . .
N10 N 0.3631(7) 0.4519(6) 0.2407(4) 0.052(2) Uani 1 1 d . U . . .
N11 N 0.4704(11) 0.5475(8) 0.3981(6) 0.097(3) Uani 1 1 d . U . . .
N12 N 0.6556(7) 0.4576(6) 0.2588(4) 0.047(2) Uani 1 1 d . U . . .
N13 N 0.5969(7) 0.4903(6) 0.2337(4) 0.051(2) Uani 1 1 d . U . . .
N14 N 0.6061(8) 0.4829(6) 0.1886(4) 0.058(2) Uani 1 1 d . U . . .
N15 N 0.6704(7) 0.4408(6) 0.1819(4) 0.055(2) Uani 1 1 d . U . . .
N16 N -0.0637(11) 0.1194(9) -0.0588(6) 0.099(4) Uani 1 1 d . U . . .
N17 N -0.0171(10) 0.0080(5) 0.1398(5) 0.070(3) Uani 1 1 d . U . . .
N18 N 0.7838(6) -0.0356(4) 0.4713(4) 0.0359(18) Uani 1 1 d . U . . .
N19 N 0.7793(6) -0.0949(4) 0.4843(4) 0.0352(19) Uani 1 1 d . U . . .
N20 N 0.7281(6) -0.1007(5) 0.5213(4) 0.044(2) Uani 1 1 d . U . . .
N21 N 0.6946(7) -0.0448(4) 0.5308(4) 0.046(2) Uani 1 1 d . U . . .
O1 O 0.1047(5) 0.2828(4) 0.3598(3) 0.0421(18) Uani 1 1 d . U . . .
O1S O 0.0579(14) 0.6545(10) 0.9536(8) 0.173(6) Uani 1 1 d D U . . .
O2 O 0.0697(5) 0.2111(4) 0.3086(3) 0.0385(17) Uani 1 1 d . U . . .
O2S O 0.6192(11) 0.6994(8) 0.2638(7) 0.138(4) Uani 1 1 d D U . . .
O3S O 0.2799(12) 0.7271(10) 0.3612(8) 0.154(5) Uani 1 1 d D U . . .
O3 O 1.1496(6) 0.1491(5) 0.3928(4) 0.068(2) Uani 1 1 d . U . . .
O4S O 0.3788(13) 0.6671(11) 0.1862(9) 0.180(5) Uani 1 1 d D U . . .
O4 O 0.9721(6) 0.1059(4) 0.3551(4) 0.057(2) Uani 1 1 d . U . . .
O5 O 1.0268(6) 0.1310(4) 0.4633(3) 0.048(2) Uani 1 1 d D U . . .
H1O H 1.005(7) 0.156(5) 0.488(3) 0.058 Uiso 1 1 d D U . . .
H2O H 1.077(5) 0.114(5) 0.477(3) 0.058 Uiso 1 1 d D U . . .
O6 O 0.1673(5) 0.3478(4) 0.1131(3) 0.0428(17) Uani 1 1 d . U . . .
O7 O 0.0955(5) 0.2632(4) 0.1324(3) 0.0443(17) Uani 1 1 d . U . . .
O8 O 0.1986(5) 0.2620(4) 0.0228(3) 0.0354(16) Uani 1 1 d . U . . .
O9 O 0.1211(5) 0.1852(4) 0.0547(3) 0.0420(16) Uani 1 1 d . U . . .
O10 O 0.4900(5) 0.2159(3) -0.0319(3) 0.0356(15) Uani 1 1 d . U . . .
O11 O 0.5368(5) 0.1199(4) -0.0286(3) 0.0407(18) Uani 1 1 d . U . . .
O12 O 0.5094(8) 0.6215(6) 0.2293(5) 0.093(3) Uani 1 1 d D U . . .
H5O H 0.478(9) 0.633(5) 0.257(3) 0.112 Uiso 1 1 d D U . . .
H6O H 0.491(11) 0.580(3) 0.224(6) 0.112 Uiso 1 1 d D U . . .
O13 O 0.5322(7) 0.5671(5) 0.3276(4) 0.081(2) Uani 1 1 d . U . . .
O14 O 0.9369(5) 0.2180(4) 0.1740(3) 0.0371(17) Uani 1 1 d . U . . .
O15 O 0.9154(5) 0.2987(4) 0.1270(3) 0.0371(16) Uani 1 1 d . U . . .
O16 O -0.1618(5) 0.1958(4) 0.0781(3) 0.046(2) Uani 1 1 d D U . . .
H3O H -0.206(6) 0.168(4) 0.087(4) 0.055 Uiso 1 1 d D U . . .
H4O H -0.149(7) 0.184(5) 0.0460(17) 0.055 Uiso 1 1 d D U . . .
O17 O -0.0377(7) 0.1497(5) 0.0181(4) 0.072(2) Uani 1 1 d . U . . .
O18 O -0.0002(7) 0.1070(4) 0.1222(3) 0.061(2) Uani 1 1 d . U . . .
O19 O 0.9205(5) 0.2643(4) 0.3530(3) 0.0421(16) Uani 1 1 d . U . . .
O20 O 0.8468(5) 0.3489(4) 0.3741(3) 0.0426(17) Uani 1 1 d . U . . .
O21 O 0.8168(5) 0.2651(4) 0.4686(3) 0.0389(16) Uani 1 1 d . U . . .
O22 O 0.8801(5) 0.1854(3) 0.4313(3) 0.0339(15) Uani 1 1 d . U . . .
O23 O 0.5344(5) 0.2295(3) 0.5457(3) 0.0342(16) Uani 1 1 d . U . . .
O24 O 0.4803(5) 0.1348(3) 0.5387(3) 0.0385(16) Uani 1 1 d . U . . .
C1S C 0.0121(18) 0.6835(16) 0.9277(11) 0.194(7) Uani 1 1 d D U . . .
C1 C 1.3607(11) 0.0866(10) 0.4083(7) 0.102(5) Uani 1 1 d D U . . .
H1A H 1.3940 0.1230 0.4016 0.154 Uiso 1 1 calc DR U . . .
H1B H 1.3781 0.0533 0.3875 0.154 Uiso 1 1 calc R U . . .
H1C H 1.3690 0.0744 0.4412 0.154 Uiso 1 1 calc R U . . .
C2S C -0.0731(18) 0.7099(15) 0.9106(13) 0.191(8) Uani 1 1 d D U . . .
H2SA H -0.0683 0.7542 0.9069 0.287 Uiso 1 1 calc R U . . .
H2SB H -0.1164 0.7006 0.9338 0.287 Uiso 1 1 calc R U . . .
H2SC H -0.0879 0.6915 0.8803 0.287 Uiso 1 1 calc R U . . .
C2 C 1.2075(14) 0.0391(11) 0.3851(8) 0.112(5) Uani 1 1 d . U . . .
H2A H 1.1528 0.0547 0.3756 0.168 Uiso 1 1 calc R U . . .
H2B H 1.2010 0.0120 0.4123 0.168 Uiso 1 1 calc R U . . .
H2C H 1.2326 0.0164 0.3590 0.168 Uiso 1 1 calc R U . . .
C3S C 0.018(2) 0.7027(14) 0.8330(10) 0.198(8) Uani 1 1 d D U . . .
H3SA H -0.0287 0.6770 0.8229 0.297 Uiso 1 1 calc R U . . .
H3SB H 0.0622 0.7014 0.8093 0.297 Uiso 1 1 calc R U . . .
H3SC H -0.0014 0.7448 0.8369 0.297 Uiso 1 1 calc R U . . .
C3 C 1.2248(11) 0.1418(10) 0.3990(6) 0.084(3) Uani 1 1 d . U . . .
C4S C 0.1384(19) 0.6493(15) 0.8806(12) 0.191(8) Uani 1 1 d D U . . .
H4SA H 0.1384 0.6135 0.8599 0.286 Uiso 1 1 calc R U . . .
H4SB H 0.1519 0.6366 0.9128 0.286 Uiso 1 1 calc R U . . .
H4SC H 0.1802 0.6786 0.8695 0.286 Uiso 1 1 calc R U . . .
C4 C 1.2852(12) 0.1981(10) 0.4097(7) 0.104(5) Uani 1 1 d D U . . .
H4A H 1.2529 0.2360 0.4093 0.156 Uiso 1 1 calc R U . . .
H4B H 1.3289 0.1999 0.3857 0.156 Uiso 1 1 calc DR U . . .
H4C H 1.3108 0.1928 0.4408 0.156 Uiso 1 1 calc R U . . .
C5S C 0.6611(14) 0.6871(11) 0.2977(7) 0.124(4) Uani 1 1 d D U . . .
C5 C 0.9992(14) 0.0716(11) 0.2705(7) 0.116(5) Uani 1 1 d . U . . .
H5A H 1.0452 0.0450 0.2607 0.173 Uiso 1 1 calc R U . . .
H5B H 1.0137 0.1142 0.2638 0.173 Uiso 1 1 calc R U . . .
H5C H 0.9486 0.0605 0.2532 0.173 Uiso 1 1 calc R U . . .
C6S C 0.6714(14) 0.6919(11) 0.3519(7) 0.137(5) Uani 1 1 d D U . . .
H6SA H 0.7046 0.7281 0.3595 0.205 Uiso 1 1 calc R U . . .
H6SB H 0.6998 0.6554 0.3637 0.205 Uiso 1 1 calc DR U . . .
H6SC H 0.6163 0.6953 0.3666 0.205 Uiso 1 1 calc R U . . .
C6 C 0.9826(13) 0.0632(8) 0.3285(7) 0.084(3) Uani 1 1 d . U . . .
C7S C 0.8003(14) 0.6254(12) 0.3211(9) 0.144(6) Uani 1 1 d D U . . .
H7SA H 0.8494 0.6131 0.3028 0.216 Uiso 1 1 calc R U . . .
H7SB H 0.7788 0.5902 0.3385 0.216 Uiso 1 1 calc DR U . . .
H7SC H 0.8160 0.6576 0.3433 0.216 Uiso 1 1 calc R U . . .
C7 C 0.9670(14) -0.0047(9) 0.3889(8) 0.103(4) Uani 1 1 d . U . . .
H7A H 0.9111 0.0105 0.3965 0.155 Uiso 1 1 calc R U . . .
H7B H 1.0084 0.0162 0.4085 0.155 Uiso 1 1 calc R U . . .
H7C H 0.9695 -0.0487 0.3949 0.155 Uiso 1 1 calc R U . . .
C8S C 0.7333(15) 0.6338(12) 0.2354(7) 0.127(5) Uani 1 1 d D U . . .
H8SA H 0.7198 0.6707 0.2174 0.191 Uiso 1 1 calc R U . . .
H8SB H 0.6913 0.6024 0.2291 0.191 Uiso 1 1 calc R U . . .
H8SC H 0.7884 0.6188 0.2260 0.191 Uiso 1 1 calc R U . . .
C8 C 0.9951(16) -0.0476(8) 0.3074(8) 0.118(5) Uani 1 1 d . U . . .
H8A H 0.9457 -0.0533 0.2876 0.178 Uiso 1 1 calc R U . . .
H8B H 1.0005 -0.0823 0.3291 0.178 Uiso 1 1 calc R U . . .
H8C H 1.0449 -0.0452 0.2875 0.178 Uiso 1 1 calc R U . . .
C9 C 0.1027(7) 0.2612(6) 0.3182(4) 0.038(2) Uani 1 1 d . U . . .
C9S C 0.3595(19) 0.8110(14) 0.4039(11) 0.175(7) Uani 1 1 d D U . . .
H9S1 H 0.3170 0.8100 0.4287 0.262 Uiso 1 1 calc R U . . .
H9S2 H 0.3623 0.8521 0.3904 0.262 Uiso 1 1 calc R U . . .
H9S3 H 0.4138 0.8001 0.4173 0.262 Uiso 1 1 calc R U . . .
C10 C 0.1446(7) 0.2987(6) 0.2780(4) 0.0369(18) Uani 1 1 d . U . . .
C10S C 0.3360(16) 0.7643(13) 0.3645(10) 0.157(6) Uani 1 1 d D U . . .
C11 C 0.1979(8) 0.3467(6) 0.2898(5) 0.0428(19) Uani 1 1 d . U . . .
H11 H 0.2077 0.3562 0.3219 0.051 Uiso 1 1 calc R U . . .
C11S C 0.4647(16) 0.8172(13) 0.3191(12) 0.171(7) Uani 1 1 d D U . . .
H11A H 0.4812 0.8296 0.3509 0.256 Uiso 1 1 calc R U . . .
H11B H 0.4485 0.8532 0.3009 0.256 Uiso 1 1 calc R U . . .
H11C H 0.5117 0.7968 0.3036 0.256 Uiso 1 1 calc R U . . .
C12 C 0.2382(8) 0.3822(7) 0.2532(5) 0.044(2) Uani 1 1 d . U . . .
C12S C 0.3628(18) 0.7370(14) 0.2792(10) 0.168(6) Uani 1 1 d D U . . .
H12A H 0.4067 0.7082 0.2701 0.252 Uiso 1 1 calc DR U . . .
H12B H 0.3516 0.7649 0.2530 0.252 Uiso 1 1 calc R U . . .
H12C H 0.3119 0.7144 0.2870 0.252 Uiso 1 1 calc R U . . .
C13 C 0.2198(7) 0.3681(6) 0.2062(5) 0.0404(19) Uani 1 1 d . U . . .
H13 H 0.2450 0.3913 0.1818 0.048 Uiso 1 1 calc R U . . .
C13S C 0.3087(15) 0.6460(14) 0.1782(12) 0.179(6) Uani 1 1 d D U . . .
C14 C 0.1269(7) 0.2845(6) 0.2304(4) 0.0368(18) Uani 1 1 d . U . . .
H14 H 0.0905 0.2518 0.2228 0.044 Uiso 1 1 calc R U . . .
C14S C 0.2267(17) 0.6485(16) 0.2086(12) 0.188(6) Uani 1 1 d D U . . .
H14A H 0.1804 0.6307 0.1906 0.282 Uiso 1 1 calc R U . . .
H14B H 0.2136 0.6910 0.2163 0.282 Uiso 1 1 calc R U . . .
H14C H 0.2349 0.6253 0.2377 0.282 Uiso 1 1 calc R U . . .
C15 C 0.1644(7) 0.3199(6) 0.1941(4) 0.0363(19) Uani 1 1 d . U . . .
C15S C 0.3990(16) 0.5836(16) 0.1348(12) 0.185(6) Uani 1 1 d D U . . .
H15A H 0.4099 0.5429 0.1220 0.277 Uiso 1 1 calc R U . . .
H15B H 0.4370 0.5915 0.1612 0.277 Uiso 1 1 calc R U . . .
H15C H 0.4079 0.6143 0.1102 0.277 Uiso 1 1 calc R U . . .
C16 C 0.1415(7) 0.3091(6) 0.1434(4) 0.0354(19) Uani 1 1 d . U . . .
C16S C 0.2341(16) 0.5471(14) 0.1438(13) 0.181(7) Uani 1 1 d D U . . .
H16A H 0.1852 0.5730 0.1384 0.271 Uiso 1 1 calc R U . . .
H16B H 0.2246 0.5216 0.1717 0.271 Uiso 1 1 calc R U . . .
H16C H 0.2434 0.5209 0.1163 0.271 Uiso 1 1 calc R U . . .
C17 C 0.1842(6) 0.2060(5) 0.0335(4) 0.0325(17) Uani 1 1 d . U . . .
C18 C 0.2527(6) 0.1597(5) 0.0202(4) 0.0291(17) Uani 1 1 d . U . . .
C19 C 0.2387(7) 0.0962(5) 0.0259(4) 0.0321(18) Uani 1 1 d . U . . .
H19 H 0.1871 0.0829 0.0388 0.039 Uiso 1 1 calc R U . . .
C20 C 0.2980(7) 0.0528(5) 0.0132(4) 0.0328(17) Uani 1 1 d . U . . .
C21 C 0.3768(7) 0.0731(5) -0.0048(4) 0.0313(17) Uani 1 1 d . U . . .
H21 H 0.4184 0.0445 -0.0137 0.038 Uiso 1 1 calc R U . . .
C22 C 0.3916(7) 0.1365(5) -0.0091(4) 0.0307(18) Uani 1 1 d . U . . .
C23 C 0.3302(6) 0.1794(5) 0.0009(4) 0.0294(17) Uani 1 1 d . U . . .
H23 H 0.3398 0.2214 -0.0051 0.035 Uiso 1 1 calc R U . . .
C24 C 0.2800(7) -0.0136(5) 0.0170(4) 0.0308(18) Uani 1 1 d . U . . .
C25 C 0.4779(7) 0.1593(5) -0.0250(4) 0.0317(19) Uani 1 1 d . U . . .
C26 C 0.2950(9) 0.4338(7) 0.2654(5) 0.049(2) Uani 1 1 d . U . . .
C27 C 0.5157(13) 0.5339(9) 0.3674(7) 0.086(3) Uani 1 1 d . U . . .
C28 C 0.5611(14) 0.4683(10) 0.3755(8) 0.103(5) Uani 1 1 d . U . . .
H28A H 0.5201 0.4355 0.3716 0.154 Uiso 1 1 calc R U . . .
H28B H 0.5845 0.4666 0.4074 0.154 Uiso 1 1 calc DR U . . .
H28C H 0.6060 0.4632 0.3524 0.154 Uiso 1 1 calc R U . . .
C29 C 0.4240(15) 0.6125(10) 0.3897(9) 0.115(5) Uani 1 1 d . U . . .
H29A H 0.4658 0.6451 0.3884 0.173 Uiso 1 1 calc R U . . .
H29B H 0.3853 0.6203 0.4157 0.173 Uiso 1 1 calc R U . . .
H29C H 0.3931 0.6112 0.3600 0.173 Uiso 1 1 calc R U . . .
C30 C 0.4405(13) 0.5091(10) 0.4396(7) 0.101(5) Uani 1 1 d . U . . .
H30A H 0.3951 0.4823 0.4293 0.152 Uiso 1 1 calc R U . . .
H30B H 0.4203 0.5361 0.4647 0.152 Uiso 1 1 calc R U . . .
H30C H 0.4869 0.4844 0.4516 0.152 Uiso 1 1 calc DR U . . .
C31 C 0.6994(8) 0.4268(6) 0.2255(5) 0.042(2) Uani 1 1 d . U . . .
C32 C 0.7656(8) 0.3835(6) 0.2351(5) 0.041(2) Uani 1 1 d . U . . .
C33 C 0.8086(7) 0.3518(6) 0.1979(4) 0.0369(19) Uani 1 1 d . U . . .
H33 H 0.7953 0.3611 0.1661 0.044 Uiso 1 1 calc R U . . .
C34 C 0.8698(7) 0.3074(6) 0.2074(4) 0.0343(18) Uani 1 1 d . U . . .
C35 C 0.8905(7) 0.2914(6) 0.2551(4) 0.0348(18) Uani 1 1 d . U . . .
H35 H 0.9295 0.2599 0.2617 0.042 Uiso 1 1 calc R U . . .
C36 C 0.7903(7) 0.3697(6) 0.2828(5) 0.0387(19) Uani 1 1 d . U . . .
H36 H 0.7654 0.3915 0.3081 0.046 Uiso 1 1 calc R U . . .
C37 C 0.8504(7) 0.3245(5) 0.2928(4) 0.0332(18) Uani 1 1 d . U . . .
C38 C 0.8750(7) 0.3109(5) 0.3434(4) 0.0336(19) Uani 1 1 d . U . . .
C39 C 0.9112(7) 0.2726(5) 0.1670(4) 0.032(2) Uani 1 1 d . U . . .
C40 C -0.0321(12) 0.1131(9) -0.0157(7) 0.081(3) Uani 1 1 d . U . . .
C41 C 0.0212(13) 0.0491(8) -0.0065(7) 0.090(4) Uani 1 1 d . U . . .
H41A H -0.0132 0.0140 -0.0154 0.135 Uiso 1 1 calc R U . . .
H41B H 0.0361 0.0461 0.0269 0.135 Uiso 1 1 calc R U . . .
H41C H 0.0722 0.0495 -0.0256 0.135 Uiso 1 1 calc R U . . .
C42 C -0.1083(16) 0.1808(12) -0.0681(9) 0.120(6) Uani 1 1 d . U . . .
H42A H -0.1295 0.1814 -0.1005 0.180 Uiso 1 1 calc R U . . .
H42B H -0.0688 0.2144 -0.0636 0.180 Uiso 1 1 calc R U . . .
H42C H -0.1550 0.1854 -0.0460 0.180 Uiso 1 1 calc R U . . .
C43 C -0.0660(15) 0.0690(11) -0.0937(8) 0.115(5) Uani 1 1 d . U . . .
H43A H -0.0118 0.0659 -0.1094 0.172 Uiso 1 1 calc R U . . .
H43B H -0.1095 0.0773 -0.1171 0.172 Uiso 1 1 calc R U . . .
H43C H -0.0784 0.0306 -0.0775 0.172 Uiso 1 1 calc R U . . .
C44 C -0.1356(10) 0.0709(8) 0.1519(6) 0.071(4) Uani 1 1 d . U . . .
H44A H -0.1424 0.1133 0.1622 0.106 Uiso 1 1 calc R U . . .
H44B H -0.1496 0.0434 0.1779 0.106 Uiso 1 1 calc R U . . .
H44C H -0.1728 0.0629 0.1252 0.106 Uiso 1 1 calc R U . . .
C45 C -0.0463(10) 0.0604(6) 0.1371(6) 0.061(3) Uani 1 1 d . U . . .
C46 C -0.0607(13) -0.0475(8) 0.1553(8) 0.092(5) Uani 1 1 d . U . . .
H46A H -0.1199 -0.0445 0.1470 0.137 Uiso 1 1 calc R U . . .
H46B H -0.0551 -0.0518 0.1895 0.137 Uiso 1 1 calc R U . . .
H46C H -0.0361 -0.0831 0.1397 0.137 Uiso 1 1 calc R U . . .
C47 C 0.0711(12) -0.0026(8) 0.1233(7) 0.084(4) Uani 1 1 d . U . . .
H47A H 0.0741 -0.0415 0.1063 0.126 Uiso 1 1 calc R U . . .
H47B H 0.1086 -0.0038 0.1505 0.126 Uiso 1 1 calc R U . . .
H47C H 0.0879 0.0306 0.1022 0.126 Uiso 1 1 calc R U . . .
C48 C 0.8254(6) 0.2077(5) 0.4579(4) 0.0297(18) Uani 1 1 d . U . . .
C49 C 0.7587(7) 0.1661(5) 0.4786(4) 0.0303(18) Uani 1 1 d . U . . .
C50 C 0.6850(7) 0.1892(5) 0.4993(4) 0.0306(17) Uani 1 1 d . U . . .
H50 H 0.6765 0.2320 0.5016 0.037 Uiso 1 1 calc R U . . .
C51 C 0.6248(7) 0.1488(5) 0.5164(4) 0.0315(18) Uani 1 1 d . U . . .
C52 C 0.6387(7) 0.0848(5) 0.5168(4) 0.0338(18) Uani 1 1 d . U . . .
H52 H 0.5976 0.0580 0.5291 0.041 Uiso 1 1 calc R U . . .
C53 C 0.7137(7) 0.0619(5) 0.4988(5) 0.0351(18) Uani 1 1 d . U . . .
C54 C 0.7730(7) 0.1015(5) 0.4789(4) 0.0332(18) Uani 1 1 d . U . . .
H54 H 0.8228 0.0854 0.4657 0.040 Uiso 1 1 calc R U . . .
C55 C 0.7298(7) -0.0056(5) 0.4999(4) 0.0343(19) Uani 1 1 d . U . . .
C56 C 0.5407(6) 0.1735(5) 0.5361(4) 0.0281(19) 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
Eu1 O19 2.336(8) . ?
Eu1 O4 2.337(9) . ?
Eu1 O23 2.339(7) 4_556 ?
Eu1 O3 2.349(9) . ?
Eu1 O22 2.406(7) . ?
Eu1 O5 2.448(8) . ?
Eu1 O1 2.466(8) 1_655 ?
Eu1 O2 2.493(8) 1_655 ?
Eu1 C9 2.818(12) 1_655 ?
Eu1 H1O 2.83(10) . ?
Eu2 O10 2.328(7) 4_455 ?
Eu2 O18 2.334(8) . ?
Eu2 O7 2.367(8) . ?
Eu2 O9 2.375(7) . ?
Eu2 O16 2.389(8) . ?
Eu2 O17 2.416(10) . ?
Eu2 O14 2.449(8) 1_455 ?
Eu2 O15 2.472(8) 1_455 ?
Eu2 C39 2.800(11) 1_455 ?
Eu2 H4O 2.54(11) . ?
Zn1 O12 1.944(12) . ?
Zn1 O13 1.951(12) . ?
Zn1 N9 1.965(12) . ?
Zn1 N13 1.969(12) . ?
Zn1 H5O 2.02(8) . ?
Zn1 H6O 1.36(17) . ?
Zn2 O21 1.910(8) . ?
Zn2 O24 1.938(8) 4_556 ?
Zn2 O20 1.944(8) . ?
Zn2 N4 2.001(9) 3_655 ?
Zn3 O6 1.940(9) . ?
Zn3 O8 1.948(8) . ?
Zn3 O11 1.978(7) 4_455 ?
Zn3 N19 2.011(9) 3_655 ?
N1S C1S 1.472(14) . ?
N1S C3S 1.493(14) . ?
N1S C4S 1.505(13) . ?
N1 C6 1.20(2) . ?
N1 C8 1.42(2) . ?
N1 C7 1.58(2) . ?
N2S C5S 1.432(13) . ?
N2S C7S 1.476(13) . ?
N2S C8S 1.503(13) . ?
N2 C3 1.16(2) . ?
N2 C1 1.44(2) . ?
N2 C2 1.71(3) . ?
N3 N4 1.336(12) . ?
N3 C24 1.339(13) . ?
N3S C10S 1.476(14) . ?
N3S C11S 1.490(13) . ?
N3S C12S 1.494(13) . ?
N4 N5 1.315(12) . ?
N4 Zn2 2.001(9) 3_645 ?
N4S C13S 1.465(14) . ?
N4S C15S 1.470(14) . ?
N4S C16S 1.490(13) . ?
N5 N6 1.316(13) . ?
N6 C24 1.334(14) . ?
N7 N8 1.322(16) . ?
N7 C26 1.341(18) . ?
N8 N9 1.317(17) . ?
N9 N10 1.337(16) . ?
N10 C26 1.329(17) . ?
N11 C27 1.15(2) . ?
N11 C30 1.49(2) . ?
N11 C29 1.59(3) . ?
N12 C31 1.331(16) . ?
N12 N13 1.353(15) . ?
N13 N14 1.273(16) . ?
N14 N15 1.367(15) . ?
N15 C31 1.328(17) . ?
N16 C40 1.30(2) . ?
N16 C43 1.45(2) . ?
N16 C42 1.51(3) . ?
N17 C45 1.218(17) . ?
N17 C46 1.441(18) . ?
N17 C47 1.48(2) . ?
N18 N19 1.326(13) . ?
N18 C55 1.328(14) . ?
N19 N20 1.311(13) . ?
N19 Zn3 2.011(9) 3_645 ?
N20 N21 1.336(13) . ?
N21 C55 1.323(15) . ?
O1 C9 1.246(14) . ?
O1 Eu1 2.466(8) 1_455 ?
O1S C1S 1.194(13) . ?
O2 C9 1.224(14) . ?
O2 Eu1 2.494(8) 1_455 ?
O2S C5S 1.179(13) . ?
O3S C10S 1.194(13) . ?
O3 C3 1.204(18) . ?
O4S C13S 1.212(13) . ?
O4 C6 1.188(18) . ?
O5 H1O 0.948(14) . ?
O5 H2O 0.952(14) . ?
O6 C16 1.249(14) . ?
O7 C16 1.260(14) . ?
O8 C17 1.258(13) . ?
O9 C17 1.236(13) . ?
O10 C25 1.245(12) . ?
O10 Eu2 2.328(7) 4 ?
O11 C25 1.256(12) . ?
O11 Zn3 1.978(7) 4 ?
O12 H5O 0.952(14) . ?
O12 H6O 0.958(14) . ?
O13 C27 1.34(2) . ?
O14 C39 1.256(13) . ?
O14 Eu2 2.449(8) 1_655 ?
O15 C39 1.248(13) . ?
O15 Eu2 2.473(8) 1_655 ?
O16 H3O 0.952(14) . ?
O16 H4O 0.952(14) . ?
O17 C40 1.228(18) . ?
O18 C45 1.301(15) . ?
O19 C38 1.258(13) . ?
O20 C38 1.262(13) . ?
O21 C48 1.275(13) . ?
O22 C48 1.230(13) . ?
O23 C56 1.235(12) . ?
O23 Eu1 2.339(7) 4_456 ?
O24 C56 1.264(12) . ?
O24 Zn2 1.938(8) 4_456 ?
C1S C2S 1.528(14) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2S H2SA 0.9600 . ?
C2S H2SB 0.9600 . ?
C2S H2SC 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3S H3SA 0.9600 . ?
C3S H3SB 0.9600 . ?
C3S H3SC 0.9600 . ?
C3 C4 1.56(3) . ?
C4S H4SA 0.9600 . ?
C4S H4SB 0.9600 . ?
C4S H4SC 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5S C6S 1.519(13) . ?
C5 C6 1.64(3) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6S H6SA 0.9600 . ?
C6S H6SB 0.9600 . ?
C6S H6SC 0.9600 . ?
C7S H7SA 0.9600 . ?
C7S H7SB 0.9600 . ?
C7S H7SC 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8S H8SA 0.9600 . ?
C8S H8SB 0.9600 . ?
C8S H8SC 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.528(16) . ?
C9 Eu1 2.818(12) 1_455 ?
C9S C10S 1.529(14) . ?
C9S H9S1 0.9600 . ?
C9S H9S2 0.9600 . ?
C9S H9S3 0.9600 . ?
C10 C11 1.368(17) . ?
C10 C14 1.386(16) . ?
C11 C12 1.418(18) . ?
C11 H11 0.9300 . ?
C11S H11A 0.9600 . ?
C11S H11B 0.9600 . ?
C11S H11C 0.9600 . ?
C12 C13 1.375(18) . ?
C12 C26 1.463(18) . ?
C12S H12A 0.9600 . ?
C12S H12B 0.9600 . ?
C12S H12C 0.9600 . ?
C13 C15 1.392(16) . ?
C13 H13 0.9300 . ?
C13S C14S 1.541(14) . ?
C14 C15 1.395(16) . ?
C14 H14 0.9300 . ?
C14S H14A 0.9600 . ?
C14S H14B 0.9600 . ?
C14S H14C 0.9600 . ?
C15 C16 1.473(17) . ?
C15S H15A 0.9600 . ?
C15S H15B 0.9600 . ?
C15S H15C 0.9600 . ?
C16S H16A 0.9600 . ?
C16S H16B 0.9600 . ?
C16S H16C 0.9600 . ?
C17 C18 1.512(15) . ?
C18 C19 1.390(16) . ?
C18 C23 1.394(14) . ?
C19 C20 1.364(15) . ?
C19 H19 0.9300 . ?
C20 C21 1.406(14) . ?
C20 C24 1.458(15) . ?
C21 C22 1.385(15) . ?
C21 H21 0.9300 . ?
C22 C23 1.362(15) . ?
C22 C25 1.507(14) . ?
C23 H23 0.9300 . ?
C27 C28 1.59(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.419(17) . ?
C32 C33 1.411(17) . ?
C32 C36 1.414(18) . ?
C33 C34 1.380(16) . ?
C33 H33 0.9300 . ?
C34 C35 1.410(16) . ?
C34 C39 1.497(16) . ?
C35 C37 1.412(15) . ?
C35 H35 0.9300 . ?
C36 C37 1.383(16) . ?
C36 H36 0.9300 . ?
C37 C38 1.489(16) . ?
C39 Eu2 2.800(11) 1_655 ?
C40 C41 1.63(2) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.48(2) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 C49 1.492(15) . ?
C49 C50 1.384(14) . ?
C49 C54 1.406(15) . ?
C50 C51 1.368(15) . ?
C50 H50 0.9300 . ?
C51 C52 1.391(15) . ?
C51 C56 1.525(14) . ?
C52 C53 1.370(15) . ?
C52 H52 0.9300 . ?
C53 C54 1.377(15) . ?
C53 C55 1.472(15) . ?
C54 H54 0.9300 . ?

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
O19 Eu1 O4 96.9(3) . . ?
O19 Eu1 O23 91.1(3) . 4_556 ?
O4 Eu1 O23 157.9(3) . 4_556 ?
O19 Eu1 O3 148.0(3) . . ?
O4 Eu1 O3 83.4(4) . . ?
O23 Eu1 O3 100.5(3) 4_556 . ?
O19 Eu1 O22 73.3(3) . . ?
O4 Eu1 O22 81.0(3) . . ?
O23 Eu1 O22 81.6(3) 4_556 . ?
O3 Eu1 O22 137.7(3) . . ?
O19 Eu1 O5 141.3(3) . . ?
O4 Eu1 O5 83.1(3) . . ?
O23 Eu1 O5 77.8(3) 4_556 . ?
O3 Eu1 O5 70.7(3) . . ?
O22 Eu1 O5 68.5(3) . . ?
O19 Eu1 O1 75.0(3) . 1_655 ?
O4 Eu1 O1 128.9(3) . 1_655 ?
O23 Eu1 O1 73.0(3) 4_556 1_655 ?
O3 Eu1 O1 80.0(3) . 1_655 ?
O22 Eu1 O1 138.6(3) . 1_655 ?
O5 Eu1 O1 133.6(3) . 1_655 ?
O19 Eu1 O2 73.3(3) . 1_655 ?
O4 Eu1 O2 77.3(3) . 1_655 ?
O23 Eu1 O2 124.8(3) 4_556 1_655 ?
O3 Eu1 O2 75.6(3) . 1_655 ?
O22 Eu1 O2 137.2(3) . 1_655 ?
O5 Eu1 O2 142.6(3) . 1_655 ?
O1 Eu1 O2 51.9(3) 1_655 1_655 ?
O19 Eu1 C9 71.1(3) . 1_655 ?
O4 Eu1 C9 103.0(3) . 1_655 ?
O23 Eu1 C9 99.1(3) 4_556 1_655 ?
O3 Eu1 C9 77.6(4) . 1_655 ?
O22 Eu1 C9 144.3(3) . 1_655 ?
O5 Eu1 C9 146.9(3) . 1_655 ?
O1 Eu1 C9 26.2(3) 1_655 1_655 ?
O2 Eu1 C9 25.7(3) 1_655 1_655 ?
O19 Eu1 H1O 126.7(15) . . ?
O4 Eu1 H1O 98(2) . . ?
O23 Eu1 H1O 61.6(19) 4_556 . ?
O3 Eu1 H1O 84.7(16) . . ?
O22 Eu1 H1O 59(2) . . ?
O5 Eu1 H1O 19.0(13) . . ?
O1 Eu1 H1O 128(2) 1_655 . ?
O2 Eu1 H1O 160.0(14) 1_655 . ?
C9 Eu1 H1O 151(2) 1_655 . ?
O10 Eu2 O18 156.1(3) 4_455 . ?
O10 Eu2 O7 88.6(3) 4_455 . ?
O18 Eu2 O7 103.3(3) . . ?
O10 Eu2 O9 80.0(3) 4_455 . ?
O18 Eu2 O9 84.2(3) . . ?
O7 Eu2 O9 71.3(3) . . ?
O10 Eu2 O16 89.0(3) 4_455 . ?
O18 Eu2 O16 92.2(4) . . ?
O7 Eu2 O16 146.0(3) . . ?
O9 Eu2 O16 141.2(3) . . ?
O10 Eu2 O17 76.7(3) 4_455 . ?
O18 Eu2 O17 81.2(4) . . ?
O7 Eu2 O17 141.8(3) . . ?
O9 Eu2 O17 71.5(3) . . ?
O16 Eu2 O17 69.8(3) . . ?
O10 Eu2 O14 127.4(3) 4_455 1_455 ?
O18 Eu2 O14 76.3(3) . 1_455 ?
O7 Eu2 O14 74.4(3) . 1_455 ?
O9 Eu2 O14 135.1(3) . 1_455 ?
O16 Eu2 O14 80.3(3) . 1_455 ?
O17 Eu2 O14 141.7(3) . 1_455 ?
O10 Eu2 O15 74.5(3) 4_455 1_455 ?
O18 Eu2 O15 128.4(3) . 1_455 ?
O7 Eu2 O15 74.6(3) . 1_455 ?
O9 Eu2 O15 137.5(3) . 1_455 ?
O16 Eu2 O15 72.1(3) . 1_455 ?
O17 Eu2 O15 132.1(3) . 1_455 ?
O14 Eu2 O15 53.0(3) 1_455 1_455 ?
O10 Eu2 C39 100.8(3) 4_455 1_455 ?
O18 Eu2 C39 102.6(3) . 1_455 ?
O7 Eu2 C39 72.0(3) . 1_455 ?
O9 Eu2 C39 143.2(3) . 1_455 ?
O16 Eu2 C39 75.2(3) . 1_455 ?
O17 Eu2 C39 145.0(3) . 1_455 ?
O14 Eu2 C39 26.6(3) 1_455 1_455 ?
O15 Eu2 C39 26.4(3) 1_455 1_455 ?
O10 Eu2 H4O 79(2) 4_455 . ?
O18 Eu2 H4O 94(3) . . ?
O7 Eu2 H4O 161(3) . . ?
O9 Eu2 H4O 119.5(11) . . ?
O16 Eu2 H4O 22.0(9) . . ?
O17 Eu2 H4O 48.7(14) . . ?
O14 Eu2 H4O 102.0(9) 1_455 . ?
O15 Eu2 H4O 88(2) 1_455 . ?
C39 Eu2 H4O 96.3(13) 1_455 . ?
O12 Zn1 O13 100.5(6) . . ?
O12 Zn1 N9 118.4(6) . . ?
O13 Zn1 N9 104.8(5) . . ?
O12 Zn1 N13 106.5(6) . . ?
O13 Zn1 N13 112.0(5) . . ?
N9 Zn1 N13 113.9(5) . . ?
O12 Zn1 H5O 27.7(9) . . ?
O13 Zn1 H5O 80(3) . . ?
N9 Zn1 H5O 106(4) . . ?
N13 Zn1 H5O 132(2) . . ?
O12 Zn1 H6O 27(3) . . ?
O13 Zn1 H6O 127(3) . . ?
N9 Zn1 H6O 101(6) . . ?
N13 Zn1 H6O 99(6) . . ?
H5O Zn1 H6O 48(3) . . ?
O21 Zn2 O24 121.3(3) . 4_556 ?
O21 Zn2 O20 113.4(4) . . ?
O24 Zn2 O20 112.3(4) 4_556 . ?
O21 Zn2 N4 99.2(3) . 3_655 ?
O24 Zn2 N4 106.9(3) 4_556 3_655 ?
O20 Zn2 N4 100.2(4) . 3_655 ?
O6 Zn3 O8 108.5(4) . . ?
O6 Zn3 O11 109.2(4) . 4_455 ?
O8 Zn3 O11 132.5(3) . 4_455 ?
O6 Zn3 N19 103.0(4) . 3_655 ?
O8 Zn3 N19 103.0(3) . 3_655 ?
O11 Zn3 N19 95.7(4) 4_455 3_655 ?
C1S N1S C3S 128(3) . . ?
C1S N1S C4S 113.4(18) . . ?
C3S N1S C4S 118(3) . . ?
C6 N1 C8 141(2) . . ?
C6 N1 C7 106.9(16) . . ?
C8 N1 C7 112.2(16) . . ?
C5S N2S C7S 130.2(19) . . ?
C5S N2S C8S 107.4(19) . . ?
C7S N2S C8S 122(2) . . ?
C3 N2 C1 141(2) . . ?
C3 N2 C2 101.8(17) . . ?
C1 N2 C2 117.2(16) . . ?
N4 N3 C24 105.0(9) . . ?
C10S N3S C11S 126(2) . . ?
C10S N3S C12S 113(2) . . ?
C11S N3S C12S 121(3) . . ?
N5 N4 N3 109.7(9) . . ?
N5 N4 Zn2 123.2(7) . 3_645 ?
N3 N4 Zn2 126.5(7) . 3_645 ?
C13S N4S C15S 103(2) . . ?
C13S N4S C16S 124(2) . . ?
C15S N4S C16S 133(3) . . ?
N4 N5 N6 108.7(9) . . ?
N5 N6 C24 106.7(9) . . ?
N8 N7 C26 104.4(12) . . ?
N9 N8 N7 109.8(12) . . ?
N8 N9 N10 109.7(11) . . ?
N8 N9 Zn1 118.9(10) . . ?
N10 N9 Zn1 130.5(9) . . ?
C26 N10 N9 104.1(12) . . ?
C27 N11 C30 129(2) . . ?
C27 N11 C29 113(2) . . ?
C30 N11 C29 116.9(17) . . ?
C31 N12 N13 104.5(11) . . ?
N14 N13 N12 111.5(11) . . ?
N14 N13 Zn1 123.1(9) . . ?
N12 N13 Zn1 125.4(9) . . ?
N13 N14 N15 107.5(11) . . ?
C31 N15 N14 106.3(11) . . ?
C40 N16 C43 123(2) . . ?
C40 N16 C42 115.0(18) . . ?
C43 N16 C42 121.5(19) . . ?
C45 N17 C46 127.2(16) . . ?
C45 N17 C47 118.5(13) . . ?
C46 N17 C47 114.2(14) . . ?
N19 N18 C55 105.6(9) . . ?
N20 N19 N18 109.7(9) . . ?
N20 N19 Zn3 127.4(7) . 3_645 ?
N18 N19 Zn3 122.5(7) . 3_645 ?
N19 N20 N21 108.2(9) . . ?
C55 N21 N20 106.1(9) . . ?
C9 O1 Eu1 92.9(7) . 1_455 ?
C9 O2 Eu1 92.1(7) . 1_455 ?
C3 O3 Eu1 159.5(14) . . ?
C6 O4 Eu1 152.7(12) . . ?
Eu1 O5 H1O 104(7) . . ?
Eu1 O5 H2O 128(8) . . ?
H1O O5 H2O 103(3) . . ?
C16 O6 Zn3 122.6(8) . . ?
C16 O7 Eu2 157.2(8) . . ?
C17 O8 Zn3 131.3(7) . . ?
C17 O9 Eu2 146.7(8) . . ?
C25 O10 Eu2 142.7(7) . 4 ?
C25 O11 Zn3 110.8(7) . 4 ?
Zn1 O12 H5O 80(5) . . ?
Zn1 O12 H6O 40(10) . . ?
H5O O12 H6O 103(3) . . ?
C27 O13 Zn1 125.6(11) . . ?
C39 O14 Eu2 92.5(7) . 1_655 ?
C39 O15 Eu2 91.6(7) . 1_655 ?
Eu2 O16 H3O 138(8) . . ?
Eu2 O16 H4O 88(7) . . ?
H3O O16 H4O 104(3) . . ?
C40 O17 Eu2 164.0(13) . . ?
C45 O18 Eu2 141.6(10) . . ?
C38 O19 Eu1 161.4(8) . . ?
C38 O20 Zn2 122.3(8) . . ?
C48 O21 Zn2 132.0(7) . . ?
C48 O22 Eu1 147.7(7) . . ?
C56 O23 Eu1 144.8(7) . 4_456 ?
C56 O24 Zn2 120.8(6) . 4_456 ?
O1S C1S N1S 105(2) . . ?
O1S C1S C2S 155(3) . . ?
N1S C1S C2S 96(2) . . ?
N2 C1 H1A 109.5 . . ?
N2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
N2 C2 H2A 109.5 . . ?
N2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1S C3S H3SA 109.5 . . ?
N1S C3S H3SB 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
N1S C3S H3SC 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
N2 C3 O3 137(2) . . ?
N2 C3 C4 101.7(17) . . ?
O3 C3 C4 121.4(18) . . ?
N1S C4S H4SA 109.5 . . ?
N1S C4S H4SB 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
N1S C4S H4SC 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O2S C5S N2S 115(2) . . ?
O2S C5S C6S 147(2) . . ?
N2S C5S C6S 97.9(17) . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C6 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 109.5 . . ?
O4 C6 N1 134(2) . . ?
O4 C6 C5 123.2(17) . . ?
N1 C6 C5 103.3(17) . . ?
N2S C7S H7SA 109.5 . . ?
N2S C7S H7SB 109.5 . . ?
H7SA C7S H7SB 109.5 . . ?
N2S C7S H7SC 109.5 . . ?
H7SA C7S H7SC 109.5 . . ?
H7SB C7S H7SC 109.5 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2S C8S H8SA 109.5 . . ?
N2S C8S H8SB 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
N2S C8S H8SC 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O2 C9 O1 122.8(11) . . ?
O2 C9 C10 119.0(11) . . ?
O1 C9 C10 118.2(11) . . ?
O2 C9 Eu1 62.1(6) . 1_455 ?
O1 C9 Eu1 60.9(6) . 1_455 ?
C10 C9 Eu1 175.9(9) . 1_455 ?
C10S C9S H9S1 109.5 . . ?
C10S C9S H9S2 109.5 . . ?
H9S1 C9S H9S2 109.5 . . ?
C10S C9S H9S3 109.5 . . ?
H9S1 C9S H9S3 109.5 . . ?
H9S2 C9S H9S3 109.5 . . ?
C11 C10 C14 121.1(11) . . ?
C11 C10 C9 119.0(11) . . ?
C14 C10 C9 119.9(11) . . ?
O3S C10S N3S 117(2) . . ?
O3S C10S C9S 132(3) . . ?
N3S C10S C9S 110(2) . . ?
C10 C11 C12 120.4(12) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
N3S C11S H11A 109.5 . . ?
N3S C11S H11B 109.5 . . ?
H11A C11S H11B 109.5 . . ?
N3S C11S H11C 109.5 . . ?
H11A C11S H11C 109.5 . . ?
H11B C11S H11C 109.5 . . ?
C13 C12 C11 118.0(12) . . ?
C13 C12 C26 121.0(12) . . ?
C11 C12 C26 120.9(12) . . ?
N3S C12S H12A 109.5 . . ?
N3S C12S H12B 109.5 . . ?
H12A C12S H12B 109.5 . . ?
N3S C12S H12C 109.5 . . ?
H12A C12S H12C 109.5 . . ?
H12B C12S H12C 109.5 . . ?
C12 C13 C15 121.7(12) . . ?
C12 C13 H13 119.2 . . ?
C15 C13 H13 119.2 . . ?
O4S C13S N4S 113(3) . . ?
O4S C13S C14S 130(3) . . ?
N4S C13S C14S 109(2) . . ?
C10 C14 C15 119.2(11) . . ?
C10 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C13S C14S H14A 109.5 . . ?
C13S C14S H14B 109.5 . . ?
H14A C14S H14B 109.5 . . ?
C13S C14S H14C 109.5 . . ?
H14A C14S H14C 109.5 . . ?
H14B C14S H14C 109.5 . . ?
C13 C15 C14 119.6(11) . . ?
C13 C15 C16 120.1(11) . . ?
C14 C15 C16 120.3(10) . . ?
N4S C15S H15A 109.5 . . ?
N4S C15S H15B 109.5 . . ?
H15A C15S H15B 109.5 . . ?
N4S C15S H15C 109.5 . . ?
H15A C15S H15C 109.5 . . ?
H15B C15S H15C 109.5 . . ?
O6 C16 O7 122.9(11) . . ?
O6 C16 C15 117.4(11) . . ?
O7 C16 C15 119.7(11) . . ?
N4S C16S H16A 109.5 . . ?
N4S C16S H16B 109.5 . . ?
H16A C16S H16B 109.5 . . ?
N4S C16S H16C 109.5 . . ?
H16A C16S H16C 109.5 . . ?
H16B C16S H16C 109.5 . . ?
O9 C17 O8 127.1(10) . . ?
O9 C17 C18 116.7(10) . . ?
O8 C17 C18 116.2(9) . . ?
C19 C18 C23 118.6(10) . . ?
C19 C18 C17 120.2(9) . . ?
C23 C18 C17 121.1(10) . . ?
C20 C19 C18 122.2(10) . . ?
C20 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
C19 C20 C21 118.8(10) . . ?
C19 C20 C24 121.2(10) . . ?
C21 C20 C24 120.0(10) . . ?
C22 C21 C20 118.9(10) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C23 C22 C21 121.8(10) . . ?
C23 C22 C25 118.5(10) . . ?
C21 C22 C25 119.7(10) . . ?
C22 C23 C18 119.5(10) . . ?
C22 C23 H23 120.3 . . ?
C18 C23 H23 120.3 . . ?
N6 C24 N3 109.9(9) . . ?
N6 C24 C20 127.0(10) . . ?
N3 C24 C20 123.2(10) . . ?
O10 C25 O11 122.2(10) . . ?
O10 C25 C22 119.9(10) . . ?
O11 C25 C22 117.8(9) . . ?
N10 C26 N7 112.0(12) . . ?
N10 C26 C12 126.3(13) . . ?
N7 C26 C12 121.6(12) . . ?
N11 C27 O13 127(2) . . ?
N11 C27 C28 113(2) . . ?
O13 C27 C28 120.0(17) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N11 C29 H29A 109.5 . . ?
N11 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N11 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N11 C30 H30A 109.5 . . ?
N11 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N11 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N15 C31 N12 110.1(11) . . ?
N15 C31 C32 124.9(12) . . ?
N12 C31 C32 124.9(12) . . ?
C33 C32 C36 117.1(11) . . ?
C33 C32 C31 121.9(12) . . ?
C36 C32 C31 121.0(12) . . ?
C34 C33 C32 121.8(11) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C33 C34 C35 120.6(11) . . ?
C33 C34 C39 120.3(10) . . ?
C35 C34 C39 119.0(10) . . ?
C34 C35 C37 118.3(11) . . ?
C34 C35 H35 120.9 . . ?
C37 C35 H35 120.9 . . ?
C37 C36 C32 121.5(11) . . ?
C37 C36 H36 119.2 . . ?
C32 C36 H36 119.2 . . ?
C36 C37 C35 120.6(11) . . ?
C36 C37 C38 120.3(10) . . ?
C35 C37 C38 119.1(10) . . ?
O19 C38 O20 124.7(11) . . ?
O19 C38 C37 120.3(10) . . ?
O20 C38 C37 115.0(10) . . ?
O15 C39 O14 122.8(10) . . ?
O15 C39 C34 117.9(10) . . ?
O14 C39 C34 119.2(10) . . ?
O15 C39 Eu2 62.0(6) . 1_655 ?
O14 C39 Eu2 60.9(6) . 1_655 ?
C34 C39 Eu2 179.6(8) . 1_655 ?
O17 C40 N16 128(2) . . ?
O17 C40 C41 117.1(17) . . ?
N16 C40 C41 115.4(16) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
N16 C42 H42A 109.5 . . ?
N16 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
N16 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N16 C43 H43A 109.5 . . ?
N16 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
N16 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C45 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N17 C45 O18 121.3(15) . . ?
N17 C45 C44 118.7(14) . . ?
O18 C45 C44 119.9(13) . . ?
N17 C46 H46A 109.5 . . ?
N17 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N17 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N17 C47 H47A 109.5 . . ?
N17 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N17 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O22 C48 O21 126.2(10) . . ?
O22 C48 C49 119.3(10) . . ?
O21 C48 C49 114.4(9) . . ?
C50 C49 C54 119.0(10) . . ?
C50 C49 C48 122.2(10) . . ?
C54 C49 C48 118.7(9) . . ?
C51 C50 C49 119.6(10) . . ?
C51 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?
C50 C51 C52 121.4(10) . . ?
C50 C51 C56 120.2(10) . . ?
C52 C51 C56 118.4(10) . . ?
C53 C52 C51 119.1(11) . . ?
C53 C52 H52 120.5 . . ?
C51 C52 H52 120.5 . . ?
C52 C53 C54 120.4(10) . . ?
C52 C53 C55 119.6(10) . . ?
C54 C53 C55 120.0(10) . . ?
C53 C54 C49 120.2(10) . . ?
C53 C54 H54 119.9 . . ?
C49 C54 H54 119.9 . . ?
N21 C55 N18 110.3(10) . . ?
N21 C55 C53 124.6(10) . . ?
N18 C55 C53 125.1(10) . . ?
O23 C56 O24 124.5(9) . . ?
O23 C56 C51 119.1(9) . . ?
O24 C56 C51 116.3(9) . . ?

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
C24 N3 N4 N5 0.6(13) . . . . ?
C24 N3 N4 Zn2 171.7(8) . . . 3_645 ?
N3 N4 N5 N6 -0.6(14) . . . . ?
Zn2 N4 N5 N6 -172.1(8) 3_645 . . . ?
N4 N5 N6 C24 0.4(13) . . . . ?
C26 N7 N8 N9 0.1(18) . . . . ?
N7 N8 N9 N10 0.3(19) . . . . ?
N7 N8 N9 Zn1 -170.2(10) . . . . ?
N8 N9 N10 C26 -0.6(17) . . . . ?
Zn1 N9 N10 C26 168.4(11) . . . . ?
C31 N12 N13 N14 -3.1(16) . . . . ?
C31 N12 N13 Zn1 175.4(9) . . . . ?
N12 N13 N14 N15 3.6(16) . . . . ?
Zn1 N13 N14 N15 -174.9(9) . . . . ?
N13 N14 N15 C31 -2.6(16) . . . . ?
C55 N18 N19 N20 -3.3(14) . . . . ?
C55 N18 N19 Zn3 -176.1(8) . . . 3_645 ?
N18 N19 N20 N21 3.6(14) . . . . ?
Zn3 N19 N20 N21 175.9(9) 3_645 . . . ?
N19 N20 N21 C55 -2.4(15) . . . . ?
C3S N1S C1S O1S 175(3) . . . . ?
C4S N1S C1S O1S -8(4) . . . . ?
C3S N1S C1S C2S 7(5) . . . . ?
C4S N1S C1S C2S -176(3) . . . . ?
C1 N2 C3 O3 -178(2) . . . . ?
C2 N2 C3 O3 5(3) . . . . ?
C1 N2 C3 C4 0(3) . . . . ?
C2 N2 C3 C4 -176.5(14) . . . . ?
Eu1 O3 C3 N2 164(2) . . . . ?
Eu1 O3 C3 C4 -14(4) . . . . ?
C7S N2S C5S O2S 179(2) . . . . ?
C8S N2S C5S O2S -2(3) . . . . ?
C7S N2S C5S C6S -3(3) . . . . ?
C8S N2S C5S C6S 176.1(18) . . . . ?
Eu1 O4 C6 N1 117(3) . . . . ?
Eu1 O4 C6 C5 -60(4) . . . . ?
C8 N1 C6 O4 177(3) . . . . ?
C7 N1 C6 O4 5(4) . . . . ?
C8 N1 C6 C5 -6(4) . . . . ?
C7 N1 C6 C5 -177.3(16) . . . . ?
Eu1 O2 C9 O1 5.3(13) 1_455 . . . ?
Eu1 O2 C9 C10 -175.5(10) 1_455 . . . ?
Eu1 O1 C9 O2 -5.3(13) 1_455 . . . ?
Eu1 O1 C9 C10 175.5(9) 1_455 . . . ?
O2 C9 C10 C11 -165.2(12) . . . . ?
O1 C9 C10 C11 14.1(17) . . . . ?
O2 C9 C10 C14 16.2(17) . . . . ?
O1 C9 C10 C14 -164.6(12) . . . . ?
C11S N3S C10S O3S -179(3) . . . . ?
C12S N3S C10S O3S 5(4) . . . . ?
C11S N3S C10S C9S 6(4) . . . . ?
C12S N3S C10S C9S -170(2) . . . . ?
C14 C10 C11 C12 -2(2) . . . . ?
C9 C10 C11 C12 179.6(12) . . . . ?
C10 C11 C12 C13 2(2) . . . . ?
C10 C11 C12 C26 179.8(12) . . . . ?
C11 C12 C13 C15 -1(2) . . . . ?
C26 C12 C13 C15 -178.6(12) . . . . ?
C15S N4S C13S O4S -13(4) . . . . ?
C16S N4S C13S O4S 171(3) . . . . ?
C15S N4S C13S C14S -166(3) . . . . ?
C16S N4S C13S C14S 18(5) . . . . ?
C11 C10 C14 C15 0.1(19) . . . . ?
C9 C10 C14 C15 178.8(11) . . . . ?
C12 C13 C15 C14 -0.6(19) . . . . ?
C12 C13 C15 C16 175.6(12) . . . . ?
C10 C14 C15 C13 1.1(18) . . . . ?
C10 C14 C15 C16 -175.2(11) . . . . ?
Zn3 O6 C16 O7 -4.1(16) . . . . ?
Zn3 O6 C16 C15 177.9(8) . . . . ?
Eu2 O7 C16 O6 -37(3) . . . . ?
Eu2 O7 C16 C15 140.8(17) . . . . ?
C13 C15 C16 O6 -6.3(17) . . . . ?
C14 C15 C16 O6 169.9(11) . . . . ?
C13 C15 C16 O7 175.7(11) . . . . ?
C14 C15 C16 O7 -8.1(17) . . . . ?
Eu2 O9 C17 O8 0(2) . . . . ?
Eu2 O9 C17 C18 178.8(10) . . . . ?
Zn3 O8 C17 O9 14.8(19) . . . . ?
Zn3 O8 C17 C18 -163.5(7) . . . . ?
O9 C17 C18 C19 8.5(17) . . . . ?
O8 C17 C18 C19 -173.1(11) . . . . ?
O9 C17 C18 C23 -173.2(11) . . . . ?
O8 C17 C18 C23 5.3(16) . . . . ?
C23 C18 C19 C20 0.0(19) . . . . ?
C17 C18 C19 C20 178.3(11) . . . . ?
C18 C19 C20 C21 2.0(19) . . . . ?
C18 C19 C20 C24 -176.5(11) . . . . ?
C19 C20 C21 C22 0.0(18) . . . . ?
C24 C20 C21 C22 178.5(11) . . . . ?
C20 C21 C22 C23 -4.1(18) . . . . ?
C20 C21 C22 C25 175.7(11) . . . . ?
C21 C22 C23 C18 6.1(18) . . . . ?
C25 C22 C23 C18 -173.7(10) . . . . ?
C19 C18 C23 C22 -3.9(17) . . . . ?
C17 C18 C23 C22 177.7(11) . . . . ?
N5 N6 C24 N3 0.0(14) . . . . ?
N5 N6 C24 C20 179.2(12) . . . . ?
N4 N3 C24 N6 -0.4(14) . . . . ?
N4 N3 C24 C20 -179.6(11) . . . . ?
C19 C20 C24 N6 -178.9(12) . . . . ?
C21 C20 C24 N6 3(2) . . . . ?
C19 C20 C24 N3 0(2) . . . . ?
C21 C20 C24 N3 -178.3(11) . . . . ?
Eu2 O10 C25 O11 90.7(15) 4 . . . ?
Eu2 O10 C25 C22 -92.9(14) 4 . . . ?
Zn3 O11 C25 O10 1.1(14) 4 . . . ?
Zn3 O11 C25 C22 -175.4(8) 4 . . . ?
C23 C22 C25 O10 -4.8(17) . . . . ?
C21 C22 C25 O10 175.4(11) . . . . ?
C23 C22 C25 O11 171.8(11) . . . . ?
C21 C22 C25 O11 -8.0(16) . . . . ?
N9 N10 C26 N7 0.7(17) . . . . ?
N9 N10 C26 C12 -177.5(14) . . . . ?
N8 N7 C26 N10 -0.5(18) . . . . ?
N8 N7 C26 C12 177.8(14) . . . . ?
C13 C12 C26 N10 -35(2) . . . . ?
C11 C12 C26 N10 147.3(15) . . . . ?
C13 C12 C26 N7 146.9(15) . . . . ?
C11 C12 C26 N7 -31(2) . . . . ?
C30 N11 C27 O13 170.7(18) . . . . ?
C29 N11 C27 O13 1(3) . . . . ?
C30 N11 C27 C28 -9(3) . . . . ?
C29 N11 C27 C28 -179.1(16) . . . . ?
Zn1 O13 C27 N11 -116(2) . . . . ?
Zn1 O13 C27 C28 64(2) . . . . ?
N14 N15 C31 N12 0.8(16) . . . . ?
N14 N15 C31 C32 178.7(13) . . . . ?
N13 N12 C31 N15 1.3(16) . . . . ?
N13 N12 C31 C32 -176.7(12) . . . . ?
N15 C31 C32 C33 1(2) . . . . ?
N12 C31 C32 C33 179.0(13) . . . . ?
N15 C31 C32 C36 -177.5(13) . . . . ?
N12 C31 C32 C36 0(2) . . . . ?
C36 C32 C33 C34 2.4(19) . . . . ?
C31 C32 C33 C34 -176.5(12) . . . . ?
C32 C33 C34 C35 1.0(19) . . . . ?
C32 C33 C34 C39 177.2(11) . . . . ?
C33 C34 C35 C37 -3.4(18) . . . . ?
C39 C34 C35 C37 -179.7(11) . . . . ?
C33 C32 C36 C37 -3.6(18) . . . . ?
C31 C32 C36 C37 175.4(12) . . . . ?
C32 C36 C37 C35 1.2(19) . . . . ?
C32 C36 C37 C38 -179.9(11) . . . . ?
C34 C35 C37 C36 2.3(18) . . . . ?
C34 C35 C37 C38 -176.6(11) . . . . ?
Eu1 O19 C38 O20 -25(3) . . . . ?
Eu1 O19 C38 C37 154.9(19) . . . . ?
Zn2 O20 C38 O19 -2.3(17) . . . . ?
Zn2 O20 C38 C37 177.6(7) . . . . ?
C36 C37 C38 O19 170.1(11) . . . . ?
C35 C37 C38 O19 -11.0(17) . . . . ?
C36 C37 C38 O20 -9.8(17) . . . . ?
C35 C37 C38 O20 169.1(11) . . . . ?
Eu2 O15 C39 O14 -2.7(11) 1_655 . . . ?
Eu2 O15 C39 C34 -179.6(9) 1_655 . . . ?
Eu2 O14 C39 O15 2.7(11) 1_655 . . . ?
Eu2 O14 C39 C34 179.6(9) 1_655 . . . ?
C33 C34 C39 O15 26.9(16) . . . . ?
C35 C34 C39 O15 -156.8(11) . . . . ?
C33 C34 C39 O14 -150.1(11) . . . . ?
C35 C34 C39 O14 26.2(16) . . . . ?
Eu2 O17 C40 N16 -154(3) . . . . ?
Eu2 O17 C40 C41 26(5) . . . . ?
C43 N16 C40 O17 -169.1(19) . . . . ?
C42 N16 C40 O17 3(3) . . . . ?
C43 N16 C40 C41 11(3) . . . . ?
C42 N16 C40 C41 -176.3(16) . . . . ?
C46 N17 C45 O18 -179.7(17) . . . . ?
C47 N17 C45 O18 -3(3) . . . . ?
C46 N17 C45 C44 1(3) . . . . ?
C47 N17 C45 C44 177.8(16) . . . . ?
Eu2 O18 C45 N17 160.8(12) . . . . ?
Eu2 O18 C45 C44 -20(3) . . . . ?
Eu1 O22 C48 O21 19(2) . . . . ?
Eu1 O22 C48 C49 -164.6(9) . . . . ?
Zn2 O21 C48 O22 11.5(18) . . . . ?
Zn2 O21 C48 C49 -165.3(8) . . . . ?
O22 C48 C49 C50 -164.7(11) . . . . ?
O21 C48 C49 C50 12.3(16) . . . . ?
O22 C48 C49 C54 18.1(16) . . . . ?
O21 C48 C49 C54 -164.8(11) . . . . ?
C54 C49 C50 C51 -4.8(18) . . . . ?
C48 C49 C50 C51 178.0(11) . . . . ?
C49 C50 C51 C52 5.0(18) . . . . ?
C49 C50 C51 C56 -175.7(10) . . . . ?
C50 C51 C52 C53 -1.3(19) . . . . ?
C56 C51 C52 C53 179.4(11) . . . . ?
C51 C52 C53 C54 -2.5(19) . . . . ?
C51 C52 C53 C55 178.9(11) . . . . ?
C52 C53 C54 C49 3(2) . . . . ?
C55 C53 C54 C49 -178.8(12) . . . . ?
C50 C49 C54 C53 1.2(18) . . . . ?
C48 C49 C54 C53 178.4(11) . . . . ?
N20 N21 C55 N18 0.3(15) . . . . ?
N20 N21 C55 C53 -177.4(12) . . . . ?
N19 N18 C55 N21 1.8(15) . . . . ?
N19 N18 C55 C53 179.5(12) . . . . ?
C52 C53 C55 N21 -25(2) . . . . ?
C54 C53 C55 N21 156.1(13) . . . . ?
C52 C53 C55 N18 157.3(12) . . . . ?
C54 C53 C55 N18 -21(2) . . . . ?
Eu1 O23 C56 O24 69.9(18) 4_456 . . . ?
Eu1 O23 C56 C51 -114.2(12) 4_456 . . . ?
Zn2 O24 C56 O23 1.7(16) 4_456 . . . ?
Zn2 O24 C56 C51 -174.2(7) 4_456 . . . ?
C50 C51 C56 O23 -15.0(17) . . . . ?
C52 C51 C56 O23 164.3(11) . . . . ?
C50 C51 C56 O24 161.2(11) . . . . ?
C52 C51 C56 O24 -19.5(16) . . . . ?

_refine_diff_density_max         1.521
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.125



####################################################################### 
# 
# 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_gw_38_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2088973'
loop_
_audit_author_name
_audit_author_address
'Xiu-Mei Zhang'
;Huaibei Normal University
China
;
_audit_update_record             
;
2021-06-09 deposited with the CCDC.	2021-07-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H63 Tb2 N21 O24 Zn3, 4(C4 H9 N O)'
_chemical_formula_sum            'C72 H99 N25 O28 Tb2 Zn3'
_chemical_formula_weight         2276.71

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'
Zn Zn 0.2839 1.4301 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   15.6906(14)
_cell_length_b                   21.4770(18)
_cell_length_c                   27.783(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9362.5(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9906
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      25.72

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_F_000             4600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    2.336
_shelx_estimated_absorpt_T_min   0.692
_shelx_estimated_absorpt_T_max   0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46720
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.176
_diffrn_reflns_theta_max         26.391
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             18935
_reflns_number_gt                15602
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.833
_reflns_Friedel_fraction_max     0.982
_reflns_Friedel_fraction_full    0.992

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0891P)²+7.0420P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 5917 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.004(6)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         18935
_refine_ls_number_parameters     1216
_refine_ls_number_restraints     1925
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0502
_refine_ls_wR_factor_ref         0.1414
_refine_ls_wR_factor_gt          0.1291
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_restrained_S_all      0.940
_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
Tb2 Tb -0.01548(3) 0.80123(2) 0.10746(2) 0.02566(12) Uani 1 1 d . U . . .
H1O H -0.042(5) 0.830(2) 0.051(3) 0.031 Uiso 1 1 d D U . . .
Tb1 Tb 0.51221(3) 0.70829(2) 0.59062(2) 0.02790(13) Uani 1 1 d . U . . .
H2O H -0.079(3) 0.886(4) 0.027(4) 0.033 Uiso 1 1 d D U . . .
Zn3 Zn 0.13261(8) 0.66135(5) 0.05733(4) 0.0263(3) Uani 1 1 d . U . . .
H3O H 0.505(6) 0.4218(10) 0.276(2) 0.032 Uiso 1 1 d D U . . .
Zn1 Zn 0.85458(7) 0.66111(5) 0.45561(4) 0.0273(3) Uani 1 1 d . U . . .
H4O H 0.521(5) 0.357(2) 0.295(2) 0.033 Uiso 1 1 d D U . . .
Zn2 Zn 0.49441(9) 0.45904(7) 0.23821(6) 0.0468(4) Uani 1 1 d D U . . .
O1 O -0.3810(4) 0.6854(3) -0.0685(3) 0.0319(16) Uani 1 1 d . U . . .
O2 O -0.3178(5) 0.7651(3) -0.0304(3) 0.042(2) Uani 1 1 d . U . . .
O1S O 0.2812(10) 0.7732(10) 0.3626(8) 0.158(7) Uani 1 1 d D U . . .
O3 O -0.1486(6) 0.8487(5) 0.1066(4) 0.061(3) Uani 1 1 d . U . . .
O2S O 0.5514(11) 0.6566(9) 0.0461(6) 0.133(6) Uani 1 1 d D U . . .
O4 O -0.0275(6) 0.8679(4) 0.0364(3) 0.049(2) Uani 1 1 d D U . . .
O3S O 0.3829(13) 0.2996(8) 0.2325(9) 0.165(8) Uani 1 1 d D U . . .
O5 O 0.0278(7) 0.8929(4) 0.1442(3) 0.055(2) Uani 1 1 d . U . . .
O4S O 0.6180(15) 0.3354(11) 0.3171(13) 0.255(14) Uani 1 1 d D U . . .
O6 O -0.0342(5) 0.7295(3) 0.0462(3) 0.0361(18) Uani 1 1 d . U . . .
H6O H 0.648(7) 0.676(5) 0.549(2) 0.043 Uiso 1 1 d D U . . .
O7 O 0.0188(5) 0.6353(4) 0.0389(3) 0.0443(19) Uani 1 1 d . U . . .
O8 O 0.0802(6) 0.7368(4) 0.1473(3) 0.047(2) Uani 1 1 d . U . . .
O9 O 0.1524(6) 0.6521(4) 0.1258(3) 0.047(2) Uani 1 1 d . U . . .
O10 O 0.0828(5) 0.7006(4) 0.3733(3) 0.0415(19) Uani 1 1 d . U . . .
O11 O 0.0615(5) 0.7818(4) 0.3266(3) 0.0389(19) Uani 1 1 d . U . . .
O12 O 0.4679(8) 0.4326(5) 0.1729(4) 0.077(3) Uani 1 1 d . U . . .
O13 O 0.8967(6) 0.7168(4) 0.1398(3) 0.048(2) Uani 1 1 d . U . . .
O14 O 0.9315(5) 0.7893(4) 0.1908(3) 0.0400(18) Uani 1 1 d . U . . .
O15 O 0.9045(5) 0.7374(4) 0.3679(3) 0.043(2) Uani 1 1 d . U . . .
O16 O 0.8335(6) 0.6527(4) 0.3871(3) 0.051(2) Uani 1 1 d . U . . .
O17 O 0.8804(5) 0.8151(4) 0.4451(3) 0.041(2) Uani 1 1 d . U . . .
O18 O 0.8032(5) 0.7380(3) 0.4775(3) 0.041(2) Uani 1 1 d . U . . .
O19 O 0.5102(5) 0.7843(3) 0.5320(3) 0.0373(16) Uani 1 1 d . U . . .
O20 O 0.4632(5) 0.8797(4) 0.5282(3) 0.048(2) Uani 1 1 d . U . . .
O21 O 0.6607(5) 0.6965(4) 0.5785(3) 0.047(2) Uani 1 1 d D U . . .
O22 O 0.5009(7) 0.6083(4) 0.6204(4) 0.066(3) Uani 1 1 d . U . . .
O23 O 0.5382(7) 0.6513(6) 0.5183(4) 0.080(3) Uani 1 1 d . U . . .
O24 O 0.4908(7) 0.3788(5) 0.2703(5) 0.079(3) Uani 1 1 d D U . . .
N1 N -0.2845(6) 0.4640(4) -0.0284(4) 0.034(2) Uani 1 1 d . U . . .
N2 N -0.2794(6) 0.4047(4) -0.0153(4) 0.035(2) Uani 1 1 d . U . . .
N1S N 0.3892(13) 0.7300(11) 0.3201(7) 0.139(7) Uani 1 1 d D U . . .
N3 N -0.2264(7) 0.3987(5) 0.0224(5) 0.051(3) Uani 1 1 d . U . . .
N2S N 0.5613(19) 0.6764(14) 0.1297(8) 0.199(10) Uani 1 1 d D U . . .
N4 N -0.1942(8) 0.4549(5) 0.0314(5) 0.057(3) Uani 1 1 d . U . . .
N3S N 0.2760(16) 0.3413(12) 0.1887(13) 0.195(10) Uani 1 1 d D U . . .
N5 N -0.2704(10) 0.8994(10) 0.1003(6) 0.109(5) Uani 1 1 d . U . . .
N4S N 0.6894(18) 0.4114(15) 0.3490(10) 0.195(10) Uani 1 1 d D U . . .
N6 N 0.0147(15) 0.9912(7) 0.1651(8) 0.128(6) Uani 1 1 d . U . . .
N7 N 0.3283(8) 0.5588(7) 0.3191(4) 0.071(4) Uani 1 1 d . U . . .
N8 N 0.3929(9) 0.5179(7) 0.3122(5) 0.075(4) Uani 1 1 d . U . . .
N9 N 0.4021(7) 0.5110(6) 0.2664(4) 0.049(3) Uani 1 1 d . U . . .
N10 N 0.3451(7) 0.5432(5) 0.2415(4) 0.045(3) Uani 1 1 d . U . . .
N11 N 0.5292(13) 0.4565(10) 0.1028(7) 0.121(6) Uani 1 1 d . U . . .
N12 N 0.7950(6) 1.0361(4) 0.4673(4) 0.038(2) Uani 1 1 d . U . . .
N13 N 0.7859(6) 1.0984(4) 0.4688(3) 0.033(2) Uani 1 1 d . U . . .
N14 N 0.7087(7) 1.1128(5) 0.4845(4) 0.047(3) Uani 1 1 d . U . . .
N15 N 0.6673(6) 1.0605(4) 0.4935(4) 0.044(3) Uani 1 1 d . U . . .
N16 N 0.5141(10) 0.5084(5) 0.6396(4) 0.067(3) Uani 1 1 d . U . . .
N17 N 0.5638(14) 0.6216(10) 0.4411(7) 0.120(6) Uani 1 1 d . U . . .
C1 C -0.2075(15) 0.9609(12) 0.1135(8) 0.119(6) Uani 1 1 d . U . . .
H1A H -0.234294 0.985716 0.137954 0.178 Uiso 1 1 calc R U . . .
H1B H -0.199086 0.985570 0.085148 0.178 Uiso 1 1 calc R U . . .
H1C H -0.153460 0.946190 0.125062 0.178 Uiso 1 1 calc R U . . .
C2 C -0.3584(12) 0.9117(12) 0.0932(7) 0.112(6) Uani 1 1 d . U . . .
H2A H -0.390240 0.873910 0.097582 0.168 Uiso 1 1 calc DR U . . .
H2B H -0.367295 0.927160 0.061230 0.168 Uiso 1 1 calc R U . . .
H2C H -0.377145 0.942162 0.116170 0.168 Uiso 1 1 calc R U . . .
C1S C 0.3587(18) 0.6864(13) 0.4022(9) 0.158(8) Uani 1 1 d D U . . .
H1SA H 0.313687 0.685319 0.425648 0.236 Uiso 1 1 calc R U . . .
H1SB H 0.411315 0.697040 0.417788 0.236 Uiso 1 1 calc R U . . .
H1SC H 0.363944 0.646223 0.387373 0.236 Uiso 1 1 calc R U . . .
C3 C -0.2244(11) 0.8557(11) 0.1019(6) 0.090(4) Uani 1 1 d . U . . .
C2S C 0.3379(14) 0.7353(10) 0.3637(7) 0.110(5) Uani 1 1 d D U . . .
C4 C -0.2817(13) 0.7981(12) 0.0917(7) 0.109(5) Uani 1 1 d . U . . .
H4A H -0.320573 0.807533 0.066023 0.164 Uiso 1 1 calc DR U . . .
H4B H -0.313300 0.787697 0.120169 0.164 Uiso 1 1 calc R U . . .
H4C H -0.246599 0.763399 0.082592 0.164 Uiso 1 1 calc R U . . .
C3S C 0.4625(15) 0.6862(12) 0.3166(9) 0.141(6) Uani 1 1 d D U . . .
H3SA H 0.450884 0.655534 0.292381 0.211 Uiso 1 1 calc R U . . .
H3SB H 0.470749 0.665950 0.347090 0.211 Uiso 1 1 calc R U . . .
H3SC H 0.513036 0.708891 0.308210 0.211 Uiso 1 1 calc R U . . .
C5 C 0.0181(17) 0.9376(9) 0.1701(9) 0.109(5) Uani 1 1 d . U . . .
C4S C 0.3579(15) 0.7661(11) 0.2778(8) 0.122(6) Uani 1 1 d D U . . .
H4SA H 0.397854 0.762101 0.251825 0.183 Uiso 1 1 calc R U . . .
H4SB H 0.352337 0.809138 0.286479 0.183 Uiso 1 1 calc R U . . .
H4SC H 0.303524 0.750130 0.267954 0.183 Uiso 1 1 calc R U . . .
C6 C -0.0010(17) 0.9292(12) 0.2284(8) 0.140(7) Uani 1 1 d . U . . .
H6A H -0.044729 0.957884 0.238068 0.210 Uiso 1 1 calc R U . . .
H6B H 0.050123 0.937525 0.246233 0.210 Uiso 1 1 calc R U . . .
H6C H -0.019531 0.887389 0.234642 0.210 Uiso 1 1 calc R U . . .
C5S C 0.5247(19) 0.6817(14) 0.0818(9) 0.169(7) Uani 1 1 d D U . . .
C7 C 0.0064(18) 1.0463(9) 0.1936(10) 0.139(7) Uani 1 1 d . U . . .
H7A H -0.002950 1.081469 0.172936 0.209 Uiso 1 1 calc R U . . .
H7B H 0.057553 1.052574 0.211889 0.209 Uiso 1 1 calc R U . . .
H7C H -0.041103 1.041832 0.215134 0.209 Uiso 1 1 calc R U . . .
C6S C 0.4339(18) 0.7069(15) 0.0917(12) 0.185(8) Uani 1 1 d D U . . .
H6SA H 0.413032 0.689803 0.121399 0.277 Uiso 1 1 calc DR U . . .
H6SB H 0.396753 0.695039 0.065875 0.277 Uiso 1 1 calc R U . . .
H6SC H 0.435770 0.751470 0.094077 0.277 Uiso 1 1 calc R U . . .
C8 C 0.0346(18) 1.0010(11) 0.1075(10) 0.136(7) Uani 1 1 d . U . . .
H8A H 0.029873 1.044396 0.099593 0.204 Uiso 1 1 calc R U . . .
H8B H -0.005705 0.977623 0.088831 0.204 Uiso 1 1 calc R U . . .
H8C H 0.091243 0.986807 0.100480 0.204 Uiso 1 1 calc R U . . .
C7S C 0.517(2) 0.7018(13) 0.1719(9) 0.178(8) Uani 1 1 d D U . . .
H7SA H 0.557565 0.709266 0.197200 0.267 Uiso 1 1 calc R U . . .
H7SB H 0.475026 0.672592 0.182806 0.267 Uiso 1 1 calc DR U . . .
H7SC H 0.489755 0.740283 0.163402 0.267 Uiso 1 1 calc DR U . . .
C9 C -0.3261(6) 0.7085(5) -0.0418(4) 0.0299(18) Uani 1 1 d . U . . .
C8S C 0.6423(17) 0.6470(14) 0.1139(11) 0.161(7) Uani 1 1 d D U . . .
H8SA H 0.651716 0.609528 0.131951 0.241 Uiso 1 1 calc R U . . .
H8SB H 0.688735 0.675310 0.119263 0.241 Uiso 1 1 calc R U . . .
H8SC H 0.638916 0.637178 0.080233 0.241 Uiso 1 1 calc R U . . .
C10 C -0.2304(7) 0.4942(5) 0.0000(4) 0.034(2) Uani 1 1 d . U . . .
C9S C 0.3173(17) 0.3277(15) 0.2313(13) 0.194(9) Uani 1 1 d D U . . .
C11 C -0.0412(7) 0.6734(5) 0.0362(4) 0.0292(19) Uani 1 1 d . U . . .
C10S C 0.2603(17) 0.3692(14) 0.2634(13) 0.191(9) Uani 1 1 d D U . . .
H10A H 0.207162 0.348469 0.269292 0.287 Uiso 1 1 calc R U . . .
H10B H 0.249839 0.408052 0.247348 0.287 Uiso 1 1 calc DR U . . .
H10C H 0.288641 0.376913 0.293438 0.287 Uiso 1 1 calc R U . . .
C12 C -0.2605(7) 0.6658(5) -0.0209(4) 0.0301(18) Uani 1 1 d . U . . .
C11S C 0.3302(19) 0.3092(16) 0.1567(14) 0.197(10) Uani 1 1 d D U . . .
H11A H 0.361718 0.338734 0.137795 0.296 Uiso 1 1 calc R U . . .
H11B H 0.296646 0.283407 0.135752 0.296 Uiso 1 1 calc R U . . .
H11C H 0.369068 0.283694 0.174624 0.296 Uiso 1 1 calc R U . . .
C13 C -0.2743(7) 0.6014(5) -0.0205(4) 0.0333(19) Uani 1 1 d . U . . .
H13 H -0.324395 0.585433 -0.033389 0.040 Uiso 1 1 calc R U . . .
C12S C 0.2008(17) 0.3747(14) 0.1801(15) 0.195(10) Uani 1 1 d D U . . .
H12A H 0.161315 0.367627 0.205925 0.293 Uiso 1 1 calc DR U . . .
H12B H 0.175919 0.361121 0.150332 0.293 Uiso 1 1 calc R U . . .
H12C H 0.213638 0.418357 0.178126 0.293 Uiso 1 1 calc R U . . .
C14 C -0.2148(7) 0.5615(5) -0.0012(4) 0.0341(19) Uani 1 1 d . U . . .
C13S C 0.6054(19) 0.424(2) 0.3656(12) 0.221(9) Uani 1 1 d D U . . .
H13A H 0.603681 0.463771 0.380685 0.331 Uiso 1 1 calc R U . . .
H13B H 0.589106 0.392261 0.388449 0.331 Uiso 1 1 calc R U . . .
H13C H 0.566674 0.422942 0.338842 0.331 Uiso 1 1 calc DR U . . .
C15 C -0.1389(7) 0.5845(5) 0.0175(4) 0.035(2) Uani 1 1 d . U . . .
H15 H -0.098149 0.557582 0.030109 0.042 Uiso 1 1 calc R U . . .
C14S C 0.6895(16) 0.3539(18) 0.3251(16) 0.222(9) Uani 1 1 d D U . . .
C16 C -0.1252(7) 0.6489(5) 0.0171(4) 0.0321(18) Uani 1 1 d . U . . .
C15S C 0.762(2) 0.4495(18) 0.3583(14) 0.217(10) Uani 1 1 d D U . . .
H15A H 0.809954 0.423599 0.365500 0.325 Uiso 1 1 calc R U . . .
H15B H 0.750152 0.476227 0.385201 0.325 Uiso 1 1 calc R U . . .
H15C H 0.774022 0.474397 0.330427 0.325 Uiso 1 1 calc R U . . .
C17 C -0.1862(7) 0.6883(5) -0.0006(4) 0.0335(19) Uani 1 1 d . U . . .
H17 H -0.177418 0.731036 0.000961 0.040 Uiso 1 1 calc R U . . .
C16S C 0.774(2) 0.345(2) 0.2981(14) 0.238(10) Uani 1 1 d D U . . .
H16A H 0.775761 0.304947 0.283430 0.357 Uiso 1 1 calc R U . . .
H16B H 0.820897 0.349070 0.320454 0.357 Uiso 1 1 calc R U . . .
H16C H 0.779641 0.376802 0.273748 0.357 Uiso 1 1 calc R U . . .
C18 C 0.1244(7) 0.6898(6) 0.1569(4) 0.034(2) Uani 1 1 d . U . . .
C19 C 0.1487(7) 0.6760(6) 0.2079(4) 0.0356(19) Uani 1 1 d . U . . .
C20 C 0.2099(7) 0.6311(6) 0.2173(4) 0.038(2) Uani 1 1 d . U . . .
H20 H 0.235192 0.609741 0.191945 0.045 Uiso 1 1 calc R U . . .
C21 C 0.2343(8) 0.6174(6) 0.2651(4) 0.040(2) Uani 1 1 d . U . . .
C22 C 0.1909(8) 0.6484(6) 0.3024(5) 0.043(2) Uani 1 1 d . U . . .
H22 H 0.203246 0.638634 0.334238 0.052 Uiso 1 1 calc R U . . .
C23 C 0.1308(7) 0.6927(6) 0.2925(4) 0.0355(19) Uani 1 1 d . U . . .
C24 C 0.1093(7) 0.7090(6) 0.2451(4) 0.0363(19) Uani 1 1 d . U . . .
H24 H 0.070387 0.740558 0.238661 0.044 Uiso 1 1 calc R U . . .
C25 C 0.0894(7) 0.7272(6) 0.3333(4) 0.035(2) Uani 1 1 d . U . . .
C26 C 0.3001(8) 0.5736(6) 0.2739(5) 0.044(2) Uani 1 1 d . U . . .
C27 C 0.5755(18) 0.3878(13) 0.1114(9) 0.137(7) Uani 1 1 d . U . . .
H27A H 0.599720 0.373556 0.081604 0.206 Uiso 1 1 calc R U . . .
H27B H 0.533855 0.358336 0.122369 0.206 Uiso 1 1 calc R U . . .
H27C H 0.619698 0.391893 0.135042 0.206 Uiso 1 1 calc R U . . .
C28 C 0.5591(16) 0.4914(12) 0.0615(7) 0.126(6) Uani 1 1 d . U . . .
H28A H 0.591771 0.526564 0.072259 0.188 Uiso 1 1 calc R U . . .
H28B H 0.511212 0.505664 0.043054 0.188 Uiso 1 1 calc DR U . . .
H28C H 0.594278 0.465133 0.041816 0.188 Uiso 1 1 calc R U . . .
C29 C 0.4849(17) 0.4631(12) 0.1344(8) 0.113(5) Uani 1 1 d . U . . .
C30 C 0.4361(17) 0.5330(12) 0.1256(8) 0.126(6) Uani 1 1 d . U . . .
H30A H 0.380369 0.532117 0.139873 0.190 Uiso 1 1 calc R U . . .
H30B H 0.431045 0.540930 0.091724 0.190 Uiso 1 1 calc DR U . . .
H30C H 0.469316 0.565358 0.140305 0.190 Uiso 1 1 calc R U . . .
N20 N 0.6057(7) 0.5021(6) 0.2334(5) 0.057(3) Uani 1 1 d . U . . .
N19 N 0.6530(9) 0.4925(8) 0.1950(7) 0.102(6) Uani 1 1 d . U . . .
N18 N 0.7164(9) 0.5310(7) 0.1955(6) 0.091(5) Uani 1 1 d . U . . .
C34 C 0.7061(9) 0.5666(7) 0.2349(5) 0.045(2) Uani 1 1 d . U . . .
N21 N 0.6376(7) 0.5488(6) 0.2585(5) 0.053(3) Uani 1 1 d . U . . .
C36 C 0.7623(8) 0.6168(6) 0.2469(4) 0.040(2) Uani 1 1 d . U . . .
C37 C 0.8030(8) 0.6526(6) 0.2105(5) 0.042(2) Uani 1 1 d . U . . .
H37 H 0.793840 0.642715 0.178368 0.050 Uiso 1 1 calc R U . . .
C38 C 0.8556(7) 0.7015(6) 0.2219(4) 0.0363(19) Uani 1 1 d . U . . .
C39 C 0.8736(7) 0.7155(6) 0.2695(4) 0.0362(19) Uani 1 1 d . U . . .
H39 H 0.911109 0.747562 0.276933 0.043 Uiso 1 1 calc R U . . .
C40 C 0.8358(7) 0.6817(6) 0.3057(4) 0.0371(19) Uani 1 1 d . U . . .
C41 C 0.7801(7) 0.6333(6) 0.2941(4) 0.038(2) Uani 1 1 d . U . . .
H41 H 0.754038 0.611268 0.318884 0.046 Uiso 1 1 calc R U . . .
C42 C 0.8977(7) 0.7389(6) 0.1818(4) 0.036(2) Uani 1 1 d . U . . .
C43 C 0.8596(7) 0.6917(6) 0.3570(4) 0.037(2) Uani 1 1 d . U . . .
C44 C 0.8169(6) 0.7938(5) 0.4665(4) 0.0298(18) Uani 1 1 d . U . . .
C45 C 0.7486(7) 0.8410(5) 0.4802(4) 0.0307(18) Uani 1 1 d . U . . .
C46 C 0.7641(7) 0.9039(5) 0.4750(4) 0.0318(19) Uani 1 1 d . U . . .
H46 H 0.816421 0.917257 0.463188 0.038 Uiso 1 1 calc R U . . .
C47 C 0.7028(7) 0.9472(5) 0.4871(4) 0.0310(18) Uani 1 1 d . U . . .
C48 C 0.6236(7) 0.9271(5) 0.5048(4) 0.0321(19) Uani 1 1 d . U . . .
H48 H 0.582054 0.955930 0.513364 0.039 Uiso 1 1 calc R U . . .
C49 C 0.6083(7) 0.8637(5) 0.5093(4) 0.0319(18) Uani 1 1 d . U . . .
C50 C 0.6713(7) 0.8204(5) 0.4986(4) 0.0332(19) Uani 1 1 d . U . . .
H50 H 0.661928 0.778172 0.503806 0.040 Uiso 1 1 calc R U . . .
C51 C 0.7213(7) 1.0141(5) 0.4827(4) 0.032(2) Uani 1 1 d . U . . .
C52 C 0.5235(7) 0.8410(5) 0.5250(4) 0.0333(19) Uani 1 1 d . U . . .
C53 C 0.6069(17) 0.6819(12) 0.4314(9) 0.123(6) Uani 1 1 d . U . . .
H53A H 0.610494 0.688480 0.397322 0.184 Uiso 1 1 calc R U . . .
H53B H 0.663275 0.681124 0.444892 0.184 Uiso 1 1 calc R U . . .
H53C H 0.574869 0.715107 0.445854 0.184 Uiso 1 1 calc R U . . .
C54 C 0.5664(19) 0.5720(13) 0.4020(9) 0.141(6) Uani 1 1 d . U . . .
H54A H 0.550105 0.590182 0.371769 0.212 Uiso 1 1 calc R U . . .
H54B H 0.527668 0.539062 0.410001 0.212 Uiso 1 1 calc R U . . .
H54C H 0.623171 0.555626 0.399474 0.212 Uiso 1 1 calc R U . . .
C55 C 0.5301(16) 0.6135(10) 0.4858(7) 0.103(5) Uani 1 1 d . U . . .
C56 C 0.4798(15) 0.5491(9) 0.4945(8) 0.109(6) Uani 1 1 d . U . . .
H56A H 0.467884 0.544275 0.528160 0.164 Uiso 1 1 calc R U . . .
H56B H 0.514338 0.514897 0.483665 0.164 Uiso 1 1 calc R U . . .
H56C H 0.427299 0.549608 0.476765 0.164 Uiso 1 1 calc R U . . .
C57 C 0.6360(10) 0.5739(8) 0.6511(6) 0.075(4) Uani 1 1 d . U . . .
H57A H 0.641851 0.615683 0.662926 0.112 Uiso 1 1 calc R U . . .
H57B H 0.673483 0.567828 0.624245 0.112 Uiso 1 1 calc R U . . .
H57C H 0.650409 0.545026 0.676238 0.112 Uiso 1 1 calc R U . . .
C58 C 0.5463(11) 0.5632(6) 0.6356(6) 0.061(3) Uani 1 1 d . U . . .
C59 C 0.5600(13) 0.4534(7) 0.6557(7) 0.088(5) Uani 1 1 d . U . . .
H59A H 0.536211 0.417060 0.640725 0.132 Uiso 1 1 calc R U . . .
H59B H 0.555010 0.449693 0.690068 0.132 Uiso 1 1 calc R U . . .
H59C H 0.619003 0.457075 0.647113 0.132 Uiso 1 1 calc R U . . .
C60 C 0.4260(13) 0.4996(9) 0.6240(7) 0.089(5) Uani 1 1 d . U . . .
H60A H 0.399324 0.539494 0.619863 0.134 Uiso 1 1 calc R U . . .
H60B H 0.395565 0.476163 0.647837 0.134 Uiso 1 1 calc R U . . .
H60C H 0.425258 0.477469 0.593970 0.134 Uiso 1 1 calc R U . . .
H5O H 0.696(10) 0.667(5) 0.595(4) 0.107 Uiso 1 1 d 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
Tb2 O6 2.315(7) . ?
Tb2 O5 2.318(8) . ?
Tb2 O8 2.323(8) . ?
Tb2 O3 2.324(8) . ?
Tb2 O1 2.389(7) 4_565 ?
Tb2 O4 2.446(8) . ?
Tb2 O13 2.447(8) 1_455 ?
Tb2 O14 2.474(8) 1_455 ?
Tb2 C42 2.813(12) 1_455 ?
Tb2 H1O 1.73(8) . ?
Tb1 O19 2.306(7) . ?
Tb1 O22 2.307(8) . ?
Tb1 O17 2.348(7) 4_466 ?
Tb1 O15 2.355(8) 4_466 ?
Tb1 O21 2.367(8) . ?
Tb1 O23 2.387(9) . ?
Tb1 O11 2.436(8) 4_566 ?
Tb1 O10 2.462(8) 4_566 ?
Tb1 C25 2.803(11) 4_566 ?
Tb1 H6O 2.52(11) . ?
Zn3 O2 1.913(8) 4_565 ?
Zn3 O9 1.937(8) . ?
Zn3 O7 1.940(8) . ?
Zn3 N13 1.998(9) 3_645 ?
Zn1 O18 1.936(8) . ?
Zn1 O16 1.941(9) . ?
Zn1 O20 1.968(8) 4_566 ?
Zn1 N2 2.010(10) 2_565 ?
Zn2 O24 1.943(10) . ?
Zn2 O12 1.948(11) . ?
Zn2 N20 1.981(12) . ?
Zn2 N9 1.988(11) . ?
Zn2 H3O 1.33(4) . ?
O1 C9 1.240(12) . ?
O2 C9 1.263(12) . ?
O1S C2S 1.205(13) . ?
O3 C3 1.207(18) . ?
O2S C5S 1.206(13) . ?
O4 H1O 0.946(14) . ?
O4 H2O 0.947(14) . ?
O3S C9S 1.194(13) . ?
O5 C5 1.211(19) . ?
O4S C14S 1.211(13) . ?
O6 C11 1.241(12) . ?
O7 C11 1.249(12) . ?
O8 C18 1.253(14) . ?
O9 C18 1.262(13) . ?
O10 C25 1.255(14) . ?
O11 C25 1.266(14) . ?
O12 C29 1.28(2) . ?
O13 C42 1.259(14) . ?
O14 C42 1.231(14) . ?
O15 C43 1.244(14) . ?
O16 C43 1.251(14) . ?
O17 C44 1.247(12) . ?
O18 C44 1.256(13) . ?
O19 C52 1.251(13) . ?
O20 C52 1.262(13) . ?
O21 H6O 0.950(14) . ?
O21 H5O 0.951(14) . ?
O22 C58 1.276(16) . ?
O23 C55 1.22(2) . ?
O24 H3O 0.962(14) . ?
O24 H4O 0.964(14) . ?
N1 N2 1.327(12) . ?
N1 C10 1.328(14) . ?
N2 N3 1.342(14) . ?
N1S C2S 1.457(13) . ?
N1S C3S 1.489(13) . ?
N1S C4S 1.490(13) . ?
N3 N4 1.333(13) . ?
N2S C5S 1.453(13) . ?
N2S C7S 1.469(13) . ?
N2S C8S 1.486(13) . ?
N4 C10 1.340(15) . ?
N3S C9S 1.380(14) . ?
N3S C12S 1.402(13) . ?
N3S C11S 1.411(14) . ?
N5 C3 1.19(2) . ?
N5 C2 1.42(2) . ?
N5 C1 1.69(3) . ?
N4S C14S 1.402(14) . ?
N4S C13S 1.420(14) . ?
N4S C15S 1.423(14) . ?
N6 C5 1.16(2) . ?
N6 C7 1.43(2) . ?
N6 C8 1.64(3) . ?
N7 N8 1.354(16) . ?
N7 C26 1.369(17) . ?
N8 N9 1.291(16) . ?
N9 N10 1.325(14) . ?
N10 C26 1.316(16) . ?
N11 C29 1.13(3) . ?
N11 C28 1.45(3) . ?
N11 C27 1.66(3) . ?
N12 C51 1.319(13) . ?
N12 N13 1.345(12) . ?
N13 N14 1.324(13) . ?
N14 N15 1.323(13) . ?
N15 C51 1.340(14) . ?
N16 C58 1.286(18) . ?
N16 C59 1.454(18) . ?
N16 C60 1.46(2) . ?
N17 C55 1.36(3) . ?
N17 C53 1.48(3) . ?
N17 C54 1.52(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C1S C2S 1.536(13) . ?
C1S H1SA 0.9600 . ?
C1S H1SB 0.9600 . ?
C1S H1SC 0.9600 . ?
C3 C4 1.56(3) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C3S H3SA 0.9600 . ?
C3S H3SB 0.9600 . ?
C3S H3SC 0.9600 . ?
C5 C6 1.66(3) . ?
C4S H4SA 0.9600 . ?
C4S H4SB 0.9600 . ?
C4S H4SC 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C5S C6S 1.548(14) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C6S H6SA 0.9600 . ?
C6S H6SB 0.9600 . ?
C6S H6SC 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C7S H7SA 0.9600 . ?
C7S H7SB 0.9600 . ?
C7S H7SC 0.9600 . ?
C9 C12 1.497(14) . ?
C8S H8SA 0.9600 . ?
C8S H8SB 0.9600 . ?
C8S H8SC 0.9600 . ?
C10 C14 1.467(15) . ?
C9S C10S 1.545(14) . ?
C11 C16 1.517(14) . ?
C10S H10A 0.9600 . ?
C10S H10B 0.9600 . ?
C10S H10C 0.9600 . ?
C12 C17 1.381(14) . ?
C12 C13 1.398(15) . ?
C11S H11A 0.9600 . ?
C11S H11B 0.9600 . ?
C11S H11C 0.9600 . ?
C13 C14 1.375(15) . ?
C13 H13 0.9300 . ?
C12S H12A 0.9600 . ?
C12S H12B 0.9600 . ?
C12S H12C 0.9600 . ?
C14 C15 1.389(15) . ?
C13S H13A 0.9600 . ?
C13S H13B 0.9600 . ?
C13S H13C 0.9600 . ?
C15 C16 1.401(15) . ?
C15 H15 0.9300 . ?
C14S C16S 1.540(14) . ?
C16 C17 1.368(15) . ?
C15S H15A 0.9600 . ?
C15S H15B 0.9600 . ?
C15S H15C 0.9600 . ?
C17 H17 0.9300 . ?
C16S H16A 0.9600 . ?
C16S H16B 0.9600 . ?
C16S H16C 0.9600 . ?
C18 C19 1.496(16) . ?
C19 C20 1.387(15) . ?
C19 C24 1.396(15) . ?
C20 C21 1.412(17) . ?
C20 H20 0.9300 . ?
C21 C22 1.407(17) . ?
C21 C26 1.419(17) . ?
C22 C23 1.367(16) . ?
C22 H22 0.9300 . ?
C23 C24 1.405(15) . ?
C23 C25 1.501(16) . ?
C24 H24 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.70(3) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
N20 N19 1.317(18) . ?
N20 N21 1.321(16) . ?
N19 N18 1.293(17) . ?
N18 C34 1.345(18) . ?
C34 N21 1.317(17) . ?
C34 C36 1.432(18) . ?
C36 C41 1.386(17) . ?
C36 C37 1.422(17) . ?
C37 C38 1.372(16) . ?
C37 H37 0.9300 . ?
C38 C39 1.385(16) . ?
C38 C42 1.524(16) . ?
C39 C40 1.374(16) . ?
C39 H39 0.9300 . ?
C40 C41 1.397(16) . ?
C40 C43 1.491(16) . ?
C41 H41 0.9300 . ?
C44 C45 1.524(14) . ?
C45 C46 1.380(15) . ?
C45 C50 1.389(14) . ?
C46 C47 1.379(15) . ?
C46 H46 0.9300 . ?
C47 C48 1.403(14) . ?
C47 C51 1.472(15) . ?
C48 C49 1.389(15) . ?
C48 H48 0.9300 . ?
C49 C50 1.390(15) . ?
C49 C52 1.482(14) . ?
C50 H50 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.61(3) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C58 1.49(2) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 Tb2 O5 157.8(3) . . ?
O6 Tb2 O8 92.1(3) . . ?
O5 Tb2 O8 96.1(4) . . ?
O6 Tb2 O3 99.9(3) . . ?
O5 Tb2 O3 83.9(4) . . ?
O8 Tb2 O3 147.9(3) . . ?
O6 Tb2 O1 81.9(3) . 4_565 ?
O5 Tb2 O1 80.7(3) . 4_565 ?
O8 Tb2 O1 73.5(3) . 4_565 ?
O3 Tb2 O1 137.4(3) . 4_565 ?
O6 Tb2 O4 77.7(3) . . ?
O5 Tb2 O4 83.1(3) . . ?
O8 Tb2 O4 141.6(3) . . ?
O3 Tb2 O4 70.5(3) . . ?
O1 Tb2 O4 68.4(3) 4_565 . ?
O6 Tb2 O13 72.9(3) . 1_455 ?
O5 Tb2 O13 129.2(3) . 1_455 ?
O8 Tb2 O13 75.4(3) . 1_455 ?
O3 Tb2 O13 79.8(3) . 1_455 ?
O1 Tb2 O13 138.8(3) 4_565 1_455 ?
O4 Tb2 O13 133.4(3) . 1_455 ?
O6 Tb2 O14 125.2(3) . 1_455 ?
O5 Tb2 O14 77.0(3) . 1_455 ?
O8 Tb2 O14 73.1(3) . 1_455 ?
O3 Tb2 O14 75.7(3) . 1_455 ?
O1 Tb2 O14 137.2(3) 4_565 1_455 ?
O4 Tb2 O14 142.2(3) . 1_455 ?
O13 Tb2 O14 52.4(3) 1_455 1_455 ?
O6 Tb2 C42 99.3(3) . 1_455 ?
O5 Tb2 C42 102.9(3) . 1_455 ?
O8 Tb2 C42 71.3(3) . 1_455 ?
O3 Tb2 C42 77.4(3) . 1_455 ?
O1 Tb2 C42 144.9(3) 4_565 1_455 ?
O4 Tb2 C42 146.5(3) . 1_455 ?
O13 Tb2 C42 26.6(3) 1_455 1_455 ?
O14 Tb2 C42 25.9(3) 1_455 1_455 ?
O6 Tb2 H1O 63(3) . . ?
O5 Tb2 H1O 100(2) . . ?
O8 Tb2 H1O 143(3) . . ?
O3 Tb2 H1O 68(3) . . ?
O1 Tb2 H1O 76(3) 4_565 . ?
O4 Tb2 H1O 17(2) . . ?
O13 Tb2 H1O 117(2) 1_455 . ?
O14 Tb2 H1O 143(3) 1_455 . ?
C42 Tb2 H1O 136(2) 1_455 . ?
O19 Tb1 O22 155.6(3) . . ?
O19 Tb1 O17 80.9(3) . 4_466 ?
O22 Tb1 O17 83.3(3) . 4_466 ?
O19 Tb1 O15 89.2(3) . 4_466 ?
O22 Tb1 O15 103.3(4) . 4_466 ?
O17 Tb1 O15 71.4(3) 4_466 4_466 ?
O19 Tb1 O21 89.4(3) . . ?
O22 Tb1 O21 91.5(4) . . ?
O17 Tb1 O21 141.6(3) 4_466 . ?
O15 Tb1 O21 146.0(3) 4_466 . ?
O19 Tb1 O23 76.8(4) . . ?
O22 Tb1 O23 80.6(4) . . ?
O17 Tb1 O23 71.7(3) 4_466 . ?
O15 Tb1 O23 142.1(3) 4_466 . ?
O21 Tb1 O23 70.0(3) . . ?
O19 Tb1 O11 127.6(3) . 4_566 ?
O22 Tb1 O11 76.5(3) . 4_566 ?
O17 Tb1 O11 134.2(3) 4_466 4_566 ?
O15 Tb1 O11 73.9(3) 4_466 4_566 ?
O21 Tb1 O11 80.3(3) . 4_566 ?
O23 Tb1 O11 141.7(3) . 4_566 ?
O19 Tb1 O10 74.4(3) . 4_566 ?
O22 Tb1 O10 129.0(3) . 4_566 ?
O17 Tb1 O10 137.6(3) 4_466 4_566 ?
O15 Tb1 O10 74.3(3) 4_466 4_566 ?
O21 Tb1 O10 72.6(3) . 4_566 ?
O23 Tb1 O10 132.3(4) . 4_566 ?
O11 Tb1 O10 53.4(3) 4_566 4_566 ?
O19 Tb1 C25 100.9(3) . 4_566 ?
O22 Tb1 C25 102.9(3) . 4_566 ?
O17 Tb1 C25 143.6(3) 4_466 4_566 ?
O15 Tb1 C25 72.3(3) 4_466 4_566 ?
O21 Tb1 C25 74.6(3) . 4_566 ?
O23 Tb1 C25 144.5(3) . 4_566 ?
O11 Tb1 C25 26.8(3) 4_566 4_566 ?
O10 Tb1 C25 26.6(3) 4_566 4_566 ?
O19 Tb1 H6O 83(2) . . ?
O22 Tb1 H6O 89(3) . . ?
O17 Tb1 H6O 119.5(10) 4_466 . ?
O15 Tb1 H6O 165(2) 4_466 . ?
O21 Tb1 H6O 22.1(10) . . ?
O23 Tb1 H6O 47.9(11) . . ?
O11 Tb1 H6O 100.8(12) 4_566 . ?
O10 Tb1 H6O 91.4(17) 4_566 . ?
C25 Tb1 H6O 96.6(11) 4_566 . ?
O2 Zn3 O9 113.8(4) 4_565 . ?
O2 Zn3 O7 120.6(4) 4_565 . ?
O9 Zn3 O7 112.2(4) . . ?
O2 Zn3 N13 99.0(3) 4_565 3_645 ?
O9 Zn3 N13 100.6(4) . 3_645 ?
O7 Zn3 N13 107.4(4) . 3_645 ?
O18 Zn1 O16 108.5(4) . . ?
O18 Zn1 O20 132.0(4) . 4_566 ?
O16 Zn1 O20 109.3(4) . 4_566 ?
O18 Zn1 N2 103.2(3) . 2_565 ?
O16 Zn1 N2 103.3(4) . 2_565 ?
O20 Zn1 N2 95.9(4) 4_566 2_565 ?
O24 Zn2 O12 99.4(5) . . ?
O24 Zn2 N20 118.1(5) . . ?
O12 Zn2 N20 105.2(5) . . ?
O24 Zn2 N9 107.2(5) . . ?
O12 Zn2 N9 112.0(5) . . ?
N20 Zn2 N9 114.0(5) . . ?
O24 Zn2 H3O 26.7(11) . . ?
O12 Zn2 H3O 126.0(14) . . ?
N20 Zn2 H3O 103(4) . . ?
N9 Zn2 H3O 96(4) . . ?
C9 O1 Tb2 146.8(7) . 4_465 ?
C9 O2 Zn3 130.9(7) . 4_465 ?
C3 O3 Tb2 160.3(15) . . ?
Tb2 O4 H1O 33(6) . . ?
Tb2 O4 H2O 123(6) . . ?
H1O O4 H2O 106(3) . . ?
C5 O5 Tb2 154.0(14) . . ?
C11 O6 Tb2 145.3(7) . . ?
C11 O7 Zn3 121.4(7) . . ?
C18 O8 Tb2 159.8(8) . . ?
C18 O9 Zn3 123.4(8) . . ?
C25 O10 Tb1 92.0(7) . 4_466 ?
C25 O11 Tb1 93.0(7) . 4_466 ?
C29 O12 Zn2 125.8(13) . . ?
C42 O13 Tb2 93.1(7) . 1_655 ?
C42 O14 Tb2 92.6(7) . 1_655 ?
C43 O15 Tb1 156.2(8) . 4_566 ?
C43 O16 Zn1 122.5(8) . . ?
C44 O17 Tb1 145.7(7) . 4_566 ?
C44 O18 Zn1 131.7(7) . . ?
C52 O19 Tb1 142.8(7) . . ?
C52 O20 Zn1 111.9(7) . 4_466 ?
Tb1 O21 H6O 88(7) . . ?
Tb1 O21 H5O 125(10) . . ?
H6O O21 H5O 103(3) . . ?
C58 O22 Tb1 141.6(11) . . ?
C55 O23 Tb1 161.0(15) . . ?
Zn2 O24 H3O 39(3) . . ?
Zn2 O24 H4O 139(3) . . ?
H3O O24 H4O 104(3) . . ?
N2 N1 C10 105.6(9) . . ?
N1 N2 N3 110.0(9) . . ?
N1 N2 Zn1 122.0(7) . 2_564 ?
N3 N2 Zn1 127.5(7) . 2_564 ?
C2S N1S C3S 122.0(19) . . ?
C2S N1S C4S 115.6(18) . . ?
C3S N1S C4S 122(2) . . ?
N4 N3 N2 107.1(9) . . ?
C5S N2S C7S 121(2) . . ?
C5S N2S C8S 96(2) . . ?
C7S N2S C8S 143(3) . . ?
N3 N4 C10 106.7(10) . . ?
C9S N3S C12S 131(3) . . ?
C9S N3S C11S 99(3) . . ?
C12S N3S C11S 130(3) . . ?
C3 N5 C2 138(3) . . ?
C3 N5 C1 104.8(18) . . ?
C2 N5 C1 117.0(18) . . ?
C14S N4S C13S 108(3) . . ?
C14S N4S C15S 126(3) . . ?
C13S N4S C15S 125(3) . . ?
C5 N6 C7 139(3) . . ?
C5 N6 C8 104(2) . . ?
C7 N6 C8 116.8(19) . . ?
N8 N7 C26 105.2(11) . . ?
N9 N8 N7 107.3(11) . . ?
N8 N9 N10 112.2(11) . . ?
N8 N9 Zn2 122.3(9) . . ?
N10 N9 Zn2 125.4(9) . . ?
C26 N10 N9 105.4(11) . . ?
C29 N11 C28 139(3) . . ?
C29 N11 C27 106(2) . . ?
C28 N11 C27 115(2) . . ?
C51 N12 N13 104.7(9) . . ?
N14 N13 N12 109.9(9) . . ?
N14 N13 Zn3 123.1(7) . 3_655 ?
N12 N13 Zn3 126.5(7) . 3_655 ?
N15 N14 N13 108.1(9) . . ?
N14 N15 C51 106.2(9) . . ?
C58 N16 C59 125.1(16) . . ?
C58 N16 C60 117.7(13) . . ?
C59 N16 C60 117.1(15) . . ?
C55 N17 C53 117(2) . . ?
C55 N17 C54 125(2) . . ?
C53 N17 C54 118(2) . . ?
N5 C1 H1A 109.5 . . ?
N5 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N5 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N5 C2 H2A 109.5 . . ?
N5 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N5 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
N5 C3 O3 135(3) . . ?
N5 C3 C4 105.8(19) . . ?
O3 C3 C4 119(2) . . ?
O1S C2S N1S 116(2) . . ?
O1S C2S C1S 129(2) . . ?
N1S C2S C1S 114.1(19) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1S C3S H3SA 109.5 . . ?
N1S C3S H3SB 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
N1S C3S H3SC 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
N6 C5 O5 136(3) . . ?
N6 C5 C6 103(2) . . ?
O5 C5 C6 121.2(19) . . ?
N1S C4S H4SA 109.5 . . ?
N1S C4S H4SB 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
N1S C4S H4SC 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O2S C5S N2S 126(2) . . ?
O2S C5S C6S 129(3) . . ?
N2S C5S C6S 103(2) . . ?
N6 C7 H7A 109.5 . . ?
N6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 109.5 . . ?
N6 C8 H8A 109.5 . . ?
N6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2S C7S H7SA 109.5 . . ?
N2S C7S H7SB 109.5 . . ?
H7SA C7S H7SB 109.5 . . ?
N2S C7S H7SC 109.5 . . ?
H7SA C7S H7SC 109.5 . . ?
H7SB C7S H7SC 109.5 . . ?
O1 C9 O2 127.3(10) . . ?
O1 C9 C12 117.7(9) . . ?
O2 C9 C12 115.0(9) . . ?
N2S C8S H8SA 109.5 . . ?
N2S C8S H8SB 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
N2S C8S H8SC 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?
N1 C10 N4 110.4(9) . . ?
N1 C10 C14 125.0(10) . . ?
N4 C10 C14 124.5(10) . . ?
O3S C9S N3S 122(3) . . ?
O3S C9S C10S 141(3) . . ?
N3S C9S C10S 96(2) . . ?
O6 C11 O7 123.7(10) . . ?
O6 C11 C16 119.5(10) . . ?
O7 C11 C16 116.7(9) . . ?
C9S C10S H10A 109.5 . . ?
C9S C10S H10B 109.5 . . ?
H10A C10S H10B 109.5 . . ?
C9S C10S H10C 109.5 . . ?
H10A C10S H10C 109.5 . . ?
H10B C10S H10C 109.5 . . ?
C17 C12 C13 118.3(10) . . ?
C17 C12 C9 121.6(10) . . ?
C13 C12 C9 120.1(9) . . ?
N3S C11S H11A 109.5 . . ?
N3S C11S H11B 109.5 . . ?
H11A C11S H11B 109.5 . . ?
N3S C11S H11C 109.5 . . ?
H11A C11S H11C 109.5 . . ?
H11B C11S H11C 109.5 . . ?
C14 C13 C12 120.9(10) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
N3S C12S H12A 109.5 . . ?
N3S C12S H12B 109.5 . . ?
H12A C12S H12B 109.5 . . ?
N3S C12S H12C 109.5 . . ?
H12A C12S H12C 109.5 . . ?
H12B C12S H12C 109.5 . . ?
C13 C14 C15 120.4(10) . . ?
C13 C14 C10 120.7(10) . . ?
C15 C14 C10 118.9(10) . . ?
N4S C13S H13A 109.5 . . ?
N4S C13S H13B 109.5 . . ?
H13A C13S H13B 109.5 . . ?
N4S C13S H13C 109.5 . . ?
H13A C13S H13C 109.5 . . ?
H13B C13S H13C 109.5 . . ?
C14 C15 C16 118.6(10) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
O4S C14S N4S 112(3) . . ?
O4S C14S C16S 132(4) . . ?
N4S C14S C16S 110(3) . . ?
C17 C16 C15 120.4(10) . . ?
C17 C16 C11 121.3(10) . . ?
C15 C16 C11 118.2(10) . . ?
N4S C15S H15A 109.5 . . ?
N4S C15S H15B 109.5 . . ?
H15A C15S H15B 109.5 . . ?
N4S C15S H15C 109.5 . . ?
H15A C15S H15C 109.5 . . ?
H15B C15S H15C 109.5 . . ?
C16 C17 C12 121.3(10) . . ?
C16 C17 H17 119.3 . . ?
C12 C17 H17 119.3 . . ?
C14S C16S H16A 109.5 . . ?
C14S C16S H16B 109.5 . . ?
H16A C16S H16B 109.5 . . ?
C14S C16S H16C 109.5 . . ?
H16A C16S H16C 109.5 . . ?
H16B C16S H16C 109.5 . . ?
O8 C18 O9 124.3(10) . . ?
O8 C18 C19 120.0(10) . . ?
O9 C18 C19 115.7(10) . . ?
C20 C19 C24 121.2(11) . . ?
C20 C19 C18 119.5(10) . . ?
C24 C19 C18 119.2(10) . . ?
C19 C20 C21 120.7(11) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 117.5(11) . . ?
C22 C21 C26 122.7(12) . . ?
C20 C21 C26 119.8(11) . . ?
C23 C22 C21 121.0(12) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C22 C23 C24 121.8(11) . . ?
C22 C23 C25 119.4(10) . . ?
C24 C23 C25 118.7(10) . . ?
C19 C24 C23 117.5(11) . . ?
C19 C24 H24 121.2 . . ?
C23 C24 H24 121.2 . . ?
O10 C25 O11 121.6(11) . . ?
O10 C25 C23 118.6(10) . . ?
O11 C25 C23 119.8(11) . . ?
O10 C25 Tb1 61.4(6) . 4_466 ?
O11 C25 Tb1 60.2(6) . 4_466 ?
C23 C25 Tb1 179.9(11) . 4_466 ?
N10 C26 N7 109.8(11) . . ?
N10 C26 C21 127.0(12) . . ?
N7 C26 C21 123.2(12) . . ?
N11 C27 H27A 109.5 . . ?
N11 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N11 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N11 C28 H28A 109.5 . . ?
N11 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N11 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N11 C29 O12 136(3) . . ?
N11 C29 C30 106(2) . . ?
O12 C29 C30 118(2) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N19 N20 N21 109.5(12) . . ?
N19 N20 Zn2 118.6(10) . . ?
N21 N20 Zn2 130.8(9) . . ?
N18 N19 N20 109.0(13) . . ?
N19 N18 C34 106.3(13) . . ?
N21 C34 N18 109.9(13) . . ?
N21 C34 C36 127.1(13) . . ?
N18 C34 C36 123.0(12) . . ?
C34 N21 N20 105.4(12) . . ?
C41 C36 C37 116.4(11) . . ?
C41 C36 C34 122.5(12) . . ?
C37 C36 C34 121.2(11) . . ?
C38 C37 C36 121.4(11) . . ?
C38 C37 H37 119.3 . . ?
C36 C37 H37 119.3 . . ?
C37 C38 C39 120.5(11) . . ?
C37 C38 C42 119.7(10) . . ?
C39 C38 C42 119.7(10) . . ?
C40 C39 C38 119.8(11) . . ?
C40 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C39 C40 C41 119.6(11) . . ?
C39 C40 C43 121.1(10) . . ?
C41 C40 C43 119.1(11) . . ?
C36 C41 C40 122.3(11) . . ?
C36 C41 H41 118.9 . . ?
C40 C41 H41 118.9 . . ?
O14 C42 O13 121.6(11) . . ?
O14 C42 C38 120.1(11) . . ?
O13 C42 C38 118.3(10) . . ?
O14 C42 Tb2 61.4(6) . 1_655 ?
O13 C42 Tb2 60.3(6) . 1_655 ?
C38 C42 Tb2 175.8(8) . 1_655 ?
O15 C43 O16 123.4(11) . . ?
O15 C43 C40 119.2(11) . . ?
O16 C43 C40 117.4(11) . . ?
O17 C44 O18 127.2(10) . . ?
O17 C44 C45 115.9(9) . . ?
O18 C44 C45 116.9(9) . . ?
C46 C45 C50 120.3(10) . . ?
C46 C45 C44 120.1(9) . . ?
C50 C45 C44 119.6(9) . . ?
C47 C46 C45 120.8(10) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C46 C47 C48 119.7(10) . . ?
C46 C47 C51 120.1(9) . . ?
C48 C47 C51 120.2(10) . . ?
C49 C48 C47 119.1(10) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C48 C49 C50 120.9(10) . . ?
C48 C49 C52 120.3(10) . . ?
C50 C49 C52 118.8(10) . . ?
C45 C50 C49 119.1(10) . . ?
C45 C50 H50 120.4 . . ?
C49 C50 H50 120.4 . . ?
N12 C51 N15 111.1(10) . . ?
N12 C51 C47 123.3(10) . . ?
N15 C51 C47 125.6(10) . . ?
O19 C52 O20 120.3(10) . . ?
O19 C52 C49 121.0(10) . . ?
O20 C52 C49 118.5(9) . . ?
N17 C53 H53A 109.5 . . ?
N17 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N17 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N17 C54 H54A 109.5 . . ?
N17 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N17 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O23 C55 N17 123(2) . . ?
O23 C55 C56 120.8(19) . . ?
N17 C55 C56 115.9(18) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 H57A 109.5 . . ?
C58 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C58 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O22 C58 N16 120.3(15) . . ?
O22 C58 C57 120.5(14) . . ?
N16 C58 C57 119.2(14) . . ?
N16 C59 H59A 109.5 . . ?
N16 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
N16 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N16 C60 H60A 109.5 . . ?
N16 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
N16 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 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
C10 N1 N2 N3 3.3(14) . . . . ?
C10 N1 N2 Zn1 176.1(8) . . . 2_564 ?
N1 N2 N3 N4 -3.3(15) . . . . ?
Zn1 N2 N3 N4 -175.6(9) 2_564 . . . ?
N2 N3 N4 C10 1.9(16) . . . . ?
C26 N7 N8 N9 1.3(19) . . . . ?
N7 N8 N9 N10 -2.4(19) . . . . ?
N7 N8 N9 Zn2 176.2(10) . . . . ?
N8 N9 N10 C26 2.5(17) . . . . ?
Zn2 N9 N10 C26 -176.1(10) . . . . ?
C51 N12 N13 N14 -0.1(14) . . . . ?
C51 N12 N13 Zn3 -171.8(8) . . . 3_655 ?
N12 N13 N14 N15 0.2(15) . . . . ?
Zn3 N13 N14 N15 172.2(8) 3_655 . . . ?
N13 N14 N15 C51 -0.1(15) . . . . ?
C2 N5 C3 O3 177(2) . . . . ?
C1 N5 C3 O3 -7(3) . . . . ?
C2 N5 C3 C4 2(3) . . . . ?
C1 N5 C3 C4 177.8(15) . . . . ?
Tb2 O3 C3 N5 -167(2) . . . . ?
Tb2 O3 C3 C4 8(5) . . . . ?
C3S N1S C2S O1S 179(2) . . . . ?
C4S N1S C2S O1S -8(4) . . . . ?
C3S N1S C2S C1S -8(4) . . . . ?
C4S N1S C2S C1S 166(2) . . . . ?
C7 N6 C5 O5 -177(3) . . . . ?
C8 N6 C5 O5 -4(5) . . . . ?
C7 N6 C5 C6 6(5) . . . . ?
C8 N6 C5 C6 179(2) . . . . ?
Tb2 O5 C5 N6 -115(4) . . . . ?
Tb2 O5 C5 C6 61(4) . . . . ?
C7S N2S C5S O2S -171(3) . . . . ?
C8S N2S C5S O2S 12(4) . . . . ?
C7S N2S C5S C6S -9(4) . . . . ?
C8S N2S C5S C6S 175(3) . . . . ?
Tb2 O1 C9 O2 -16(2) 4_465 . . . ?
Tb2 O1 C9 C12 164.9(9) 4_465 . . . ?
Zn3 O2 C9 O1 -14.0(18) 4_465 . . . ?
Zn3 O2 C9 C12 164.9(8) 4_465 . . . ?
N2 N1 C10 N4 -2.0(15) . . . . ?
N2 N1 C10 C14 -179.7(12) . . . . ?
N3 N4 C10 N1 0.1(16) . . . . ?
N3 N4 C10 C14 177.7(13) . . . . ?
C12S N3S C9S O3S -178(3) . . . . ?
C11S N3S C9S O3S 4(5) . . . . ?
C12S N3S C9S C10S -8(5) . . . . ?
C11S N3S C9S C10S 175(2) . . . . ?
Tb2 O6 C11 O7 -70.2(18) . . . . ?
Tb2 O6 C11 C16 113.2(12) . . . . ?
Zn3 O7 C11 O6 -2.2(16) . . . . ?
Zn3 O7 C11 C16 174.5(7) . . . . ?
O1 C9 C12 C17 164.3(11) . . . . ?
O2 C9 C12 C17 -14.8(16) . . . . ?
O1 C9 C12 C13 -17.2(16) . . . . ?
O2 C9 C12 C13 163.8(11) . . . . ?
C17 C12 C13 C14 -1.1(18) . . . . ?
C9 C12 C13 C14 -179.8(11) . . . . ?
C12 C13 C14 C15 -1.1(19) . . . . ?
C12 C13 C14 C10 178.7(11) . . . . ?
N1 C10 C14 C13 22(2) . . . . ?
N4 C10 C14 C13 -155.4(13) . . . . ?
N1 C10 C14 C15 -158.3(12) . . . . ?
N4 C10 C14 C15 24(2) . . . . ?
C13 C14 C15 C16 1.0(18) . . . . ?
C10 C14 C15 C16 -178.8(11) . . . . ?
C13S N4S C14S O4S 13(5) . . . . ?
C15S N4S C14S O4S -172(4) . . . . ?
C13S N4S C14S C16S 169(3) . . . . ?
C15S N4S C14S C16S -15(6) . . . . ?
C14 C15 C16 C17 1.3(18) . . . . ?
C14 C15 C16 C11 -178.2(11) . . . . ?
O6 C11 C16 C17 16.3(17) . . . . ?
O7 C11 C16 C17 -160.5(11) . . . . ?
O6 C11 C16 C15 -164.2(11) . . . . ?
O7 C11 C16 C15 19.0(16) . . . . ?
C15 C16 C17 C12 -3.6(18) . . . . ?
C11 C16 C17 C12 175.9(10) . . . . ?
C13 C12 C17 C16 3.5(17) . . . . ?
C9 C12 C17 C16 -177.9(11) . . . . ?
Tb2 O8 C18 O9 29(3) . . . . ?
Tb2 O8 C18 C19 -152.0(18) . . . . ?
Zn3 O9 C18 O8 0.7(18) . . . . ?
Zn3 O9 C18 C19 -178.1(8) . . . . ?
O8 C18 C19 C20 -168.2(11) . . . . ?
O9 C18 C19 C20 10.6(17) . . . . ?
O8 C18 C19 C24 11.6(18) . . . . ?
O9 C18 C19 C24 -169.6(11) . . . . ?
C24 C19 C20 C21 0.0(19) . . . . ?
C18 C19 C20 C21 179.7(11) . . . . ?
C19 C20 C21 C22 3.5(18) . . . . ?
C19 C20 C21 C26 -176.8(12) . . . . ?
C20 C21 C22 C23 -3.6(19) . . . . ?
C26 C21 C22 C23 176.6(12) . . . . ?
C21 C22 C23 C24 0(2) . . . . ?
C21 C22 C23 C25 -176.6(12) . . . . ?
C20 C19 C24 C23 -3.3(18) . . . . ?
C18 C19 C24 C23 177.0(11) . . . . ?
C22 C23 C24 C19 3.1(19) . . . . ?
C25 C23 C24 C19 -179.9(11) . . . . ?
Tb1 O10 C25 O11 -0.6(12) 4_466 . . . ?
Tb1 O10 C25 C23 179.9(9) 4_466 . . . ?
Tb1 O11 C25 O10 0.6(12) 4_466 . . . ?
Tb1 O11 C25 C23 -179.9(9) 4_466 . . . ?
C22 C23 C25 O10 -28.4(17) . . . . ?
C24 C23 C25 O10 154.6(12) . . . . ?
C22 C23 C25 O11 152.2(12) . . . . ?
C24 C23 C25 O11 -24.9(17) . . . . ?
N9 N10 C26 N7 -1.5(17) . . . . ?
N9 N10 C26 C21 176.1(13) . . . . ?
N8 N7 C26 N10 0.2(18) . . . . ?
N8 N7 C26 C21 -177.5(14) . . . . ?
C22 C21 C26 N10 -178.8(14) . . . . ?
C20 C21 C26 N10 1(2) . . . . ?
C22 C21 C26 N7 -1(2) . . . . ?
C20 C21 C26 N7 178.8(14) . . . . ?
C28 N11 C29 O12 -171(2) . . . . ?
C27 N11 C29 O12 4(4) . . . . ?
C28 N11 C29 C30 6(4) . . . . ?
C27 N11 C29 C30 -179.3(17) . . . . ?
Zn2 O12 C29 N11 112(3) . . . . ?
Zn2 O12 C29 C30 -65(3) . . . . ?
N21 N20 N19 N18 2(2) . . . . ?
Zn2 N20 N19 N18 171.0(13) . . . . ?
N20 N19 N18 C34 -2(2) . . . . ?
N19 N18 C34 N21 1(2) . . . . ?
N19 N18 C34 C36 -177.5(16) . . . . ?
N18 C34 N21 N20 -0.1(18) . . . . ?
C36 C34 N21 N20 178.5(14) . . . . ?
N19 N20 N21 C34 -1.1(18) . . . . ?
Zn2 N20 N21 C34 -168.4(11) . . . . ?
N21 C34 C36 C41 34(2) . . . . ?
N18 C34 C36 C41 -147.7(16) . . . . ?
N21 C34 C36 C37 -146.2(15) . . . . ?
N18 C34 C36 C37 32(2) . . . . ?
C41 C36 C37 C38 -1(2) . . . . ?
C34 C36 C37 C38 178.8(12) . . . . ?
C36 C37 C38 C39 3(2) . . . . ?
C36 C37 C38 C42 -179.7(12) . . . . ?
C37 C38 C39 C40 -2.6(19) . . . . ?
C42 C38 C39 C40 -179.9(11) . . . . ?
C38 C39 C40 C41 0.5(19) . . . . ?
C38 C39 C40 C43 174.4(11) . . . . ?
C37 C36 C41 C40 -0.8(19) . . . . ?
C34 C36 C41 C40 179.1(12) . . . . ?
C39 C40 C41 C36 1.2(19) . . . . ?
C43 C40 C41 C36 -172.8(12) . . . . ?
Tb2 O14 C42 O13 -4.4(12) 1_655 . . . ?
Tb2 O14 C42 C38 175.6(9) 1_655 . . . ?
Tb2 O13 C42 O14 4.4(12) 1_655 . . . ?
Tb2 O13 C42 C38 -175.5(9) 1_655 . . . ?
C37 C38 C42 O14 166.3(12) . . . . ?
C39 C38 C42 O14 -16.3(17) . . . . ?
C37 C38 C42 O13 -13.7(17) . . . . ?
C39 C38 C42 O13 163.6(12) . . . . ?
Tb1 O15 C43 O16 38(3) 4_566 . . . ?
Tb1 O15 C43 C40 -141.1(16) 4_566 . . . ?
Zn1 O16 C43 O15 3.6(17) . . . . ?
Zn1 O16 C43 C40 -177.1(8) . . . . ?
C39 C40 C43 O15 11.0(18) . . . . ?
C41 C40 C43 O15 -175.1(11) . . . . ?
C39 C40 C43 O16 -168.4(12) . . . . ?
C41 C40 C43 O16 5.5(17) . . . . ?
Tb1 O17 C44 O18 0(2) 4_566 . . . ?
Tb1 O17 C44 C45 -179.8(9) 4_566 . . . ?
Zn1 O18 C44 O17 -16.0(19) . . . . ?
Zn1 O18 C44 C45 163.4(8) . . . . ?
O17 C44 C45 C46 -9.1(16) . . . . ?
O18 C44 C45 C46 171.5(11) . . . . ?
O17 C44 C45 C50 172.0(11) . . . . ?
O18 C44 C45 C50 -7.5(16) . . . . ?
C50 C45 C46 C47 -1.3(19) . . . . ?
C44 C45 C46 C47 179.8(11) . . . . ?
C45 C46 C47 C48 -0.2(18) . . . . ?
C45 C46 C47 C51 178.2(11) . . . . ?
C46 C47 C48 C49 -0.6(18) . . . . ?
C51 C47 C48 C49 -179.0(11) . . . . ?
C47 C48 C49 C50 2.9(18) . . . . ?
C47 C48 C49 C52 -176.2(10) . . . . ?
C46 C45 C50 C49 3.5(18) . . . . ?
C44 C45 C50 C49 -177.6(10) . . . . ?
C48 C49 C50 C45 -4.3(18) . . . . ?
C52 C49 C50 C45 174.8(10) . . . . ?
N13 N12 C51 N15 0.0(14) . . . . ?
N13 N12 C51 C47 -179.9(11) . . . . ?
N14 N15 C51 N12 0.1(15) . . . . ?
N14 N15 C51 C47 -180.0(12) . . . . ?
C46 C47 C51 N12 0.2(19) . . . . ?
C48 C47 C51 N12 178.5(12) . . . . ?
C46 C47 C51 N15 -179.8(12) . . . . ?
C48 C47 C51 N15 -1.4(19) . . . . ?
Tb1 O19 C52 O20 -92.7(15) . . . . ?
Tb1 O19 C52 C49 92.0(14) . . . . ?
Zn1 O20 C52 O19 -0.1(14) 4_466 . . . ?
Zn1 O20 C52 C49 175.3(8) 4_466 . . . ?
C48 C49 C52 O19 -175.8(11) . . . . ?
C50 C49 C52 O19 5.1(17) . . . . ?
C48 C49 C52 O20 8.9(17) . . . . ?
C50 C49 C52 O20 -170.3(11) . . . . ?
Tb1 O23 C55 N17 156(3) . . . . ?
Tb1 O23 C55 C56 -26(6) . . . . ?
C53 N17 C55 O23 -5(4) . . . . ?
C54 N17 C55 O23 171(2) . . . . ?
C53 N17 C55 C56 177(2) . . . . ?
C54 N17 C55 C56 -8(4) . . . . ?
Tb1 O22 C58 N16 -164.6(11) . . . . ?
Tb1 O22 C58 C57 18(3) . . . . ?
C59 N16 C58 O22 178.9(16) . . . . ?
C60 N16 C58 O22 3(2) . . . . ?
C59 N16 C58 C57 -4(3) . . . . ?
C60 N16 C58 C57 -179.9(16) . . . . ?

_refine_diff_density_max         1.727
_refine_diff_density_min         -1.259
_refine_diff_density_rms         0.127



