# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_11_a
_database_code_depnum_ccdc_archive 'CCDC 2343086'
loop_
_audit_author_name
_audit_author_address
'Maksim shmelev'
;kurnakov institute of general and inorganic chemistry
Russia
;
_audit_update_record             
;
2024-03-25 deposited with the CCDC.	2025-03-03 downloaded from the CCDC.
;
_audit_creation_date             2024-03-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H42 Eu2 F24 N4 O20 Zn2'
_chemical_formula_sum            'C94 H42 Eu2 F24 N4 O20 Zn2'
_chemical_formula_weight         2437.97
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2568(15)
_cell_length_b                   14.7337(15)
_cell_length_c                   14.9365(18)
_cell_angle_alpha                63.284(3)
_cell_angle_beta                 83.911(4)
_cell_angle_gamma                63.764(3)
_cell_volume                     2497.0(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3617
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      25.76
_cell_measurement_theta_min      2.70
_shelx_estimated_absorpt_T_max   0.811
_shelx_estimated_absorpt_T_min   0.712
_exptl_absorpt_coefficient_mu    1.826
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1100 before and 0.0447 after correction.
The Ratio of minimum to maximum transmission is 0.8390.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_unetI/netI     0.0911
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16385
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.905
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6959
_reflns_number_total             9582
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.853
_refine_diff_density_min         -1.422
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         9582
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0501
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0509P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1210
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C30) \\sim Ueq: with sigma of 0.015 and sigma for terminal atoms of 0.03
Uanis(C21B) = Uanis(C21A)
Uanis(C20A) = Uanis(C20B)
Uanis(C18A) = Uanis(C18B)
Uanis(C17A) = Uanis(C17B)
Uanis(C19A) = Uanis(C19B)
Uanis(C31B) = Uanis(C31A)
Uanis(C32B) = Uanis(C32A)
Uanis(C35B) = Uanis(C35A)
Uanis(C33B) = Uanis(C33A)
Uanis(C34B) = Uanis(C34A)
Uanis(O2) = Uanis(O1)
Uanis(C1) = Uanis(C2)
3. Others
 Fixed Sof: F17A(0.7) F18A(0.7) F19A(0.7) F20A(0.7) F21A(0.7) F31A(0.7)
 F32A(0.7) F33A(0.7) F34A(0.7) F35A(0.7) C17A(0.7) C18A(0.7) C19A(0.7)
 C20A(0.7) C21A(0.7) C21B(0.3) H21B(0.3) C20B(0.3) H20B(0.3) C19B(0.3)
 H19B(0.3) C18B(0.3) H18B(0.3) C17B(0.3) H17B(0.3) C31B(0.3) H31B(0.3)
 C32B(0.3) H32B(0.3) C33B(0.3) H33B(0.3) C34B(0.3) H34B(0.3) C35A(0.7)
 C34A(0.7) C33A(0.7) C32A(0.7) C31A(0.7) C35B(0.3) H35B(0.3)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C21B(H21B), C20B(H20B), C19B(H19B), C18B(H18B), C17B(H17B),
  C31B(H31B), C32B(H32B), C33B(H33B), C34B(H34B), C35B(H35B), C43(H43),
 C44(H44), C45(H45), C47(H47), C48(H48), C50(H50), C51(H51), C52(H52)
4.b Fitted hexagon refined as free rotating group:
 C21B(C20B,C19B,C18B,C17B,C16), C35A(C34A,C33A,C32A,C31A,C30)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.53665(2) 0.35079(2) 0.61873(2) 0.02202(10) Uani 1 1 d . . . . .
Zn1 Zn 0.65637(5) 0.09113(5) 0.88035(5) 0.02636(18) Uani 1 1 d . . . . .
F17A F 0.3802(5) 0.2747(5) 1.0306(4) 0.0511(16) Uani 0.7 1 d . . P A 2
F18A F 0.2792(6) 0.4283(6) 1.1007(5) 0.078(2) Uani 0.7 1 d . . P A 2
F19A F 0.2944(7) 0.6275(6) 1.0149(6) 0.096(3) Uani 0.7 1 d . . P A 2
F20A F 0.4065(7) 0.6721(6) 0.8597(6) 0.086(2) Uani 0.7 1 d . . P A 2
F21A F 0.5063(5) 0.5235(5) 0.7860(5) 0.0557(17) Uani 0.7 1 d . . P A 2
F31A F 0.2706(5) 0.4841(5) 0.6707(4) 0.0473(15) Uani 0.7 1 d . . P B 1
F32A F 0.1556(5) 0.4930(5) 0.8211(5) 0.0606(18) Uani 0.7 1 d . . P B 1
F33A F 0.1034(6) 0.6623(6) 0.8744(6) 0.076(2) Uani 0.7 1 d . . P B 1
F34A F 0.1738(6) 0.8199(6) 0.7752(6) 0.079(2) Uani 0.7 1 d . . P B 1
F35A F 0.2902(5) 0.8145(5) 0.6238(5) 0.0624(19) Uani 0.7 1 d . . P B 1
F38 F 0.2192(3) 0.4024(4) 0.5644(3) 0.0613(13) Uani 1 1 d . . . . .
F39 F 0.0538(4) 0.3852(4) 0.5201(4) 0.0807(17) Uani 1 1 d . . . . .
F40 F -0.0109(4) 0.4555(5) 0.3273(5) 0.099(2) Uani 1 1 d . . . . .
F41 F 0.0979(4) 0.5367(5) 0.1759(4) 0.0947(19) Uani 1 1 d . . . . .
F42 F 0.2689(3) 0.5476(4) 0.2185(3) 0.0581(12) Uani 1 1 d . . . . .
O1 O 0.5565(3) 0.0503(3) 0.8368(3) 0.0364(8) Uani 1 1 d . . . . .
O2 O 0.4916(3) 0.2032(3) 0.6890(3) 0.0364(8) Uani 1 1 d . . . . .
O3 O 0.7939(3) 0.0098(3) 0.8026(3) 0.0349(11) Uani 1 1 d . . . . .
O4 O 0.6920(3) 0.1935(3) 0.7317(3) 0.0279(10) Uani 1 1 d . . . . .
O5 O 0.5470(3) 0.2081(3) 0.9234(3) 0.0318(10) Uani 1 1 d . . . . .
O6 O 0.4920(3) 0.3558(3) 0.7709(3) 0.0391(12) Uani 1 1 d . . . . .
O7 O 0.4105(3) 0.5468(3) 0.5560(3) 0.0248(9) Uani 1 1 d . . . . .
O8 O 0.3575(3) 0.7303(3) 0.4904(3) 0.0299(10) Uani 1 1 d . . . . .
O9 O 0.4093(3) 0.3926(3) 0.4971(3) 0.0285(10) Uani 1 1 d . . . . .
O10 O 0.3603(3) 0.5649(3) 0.3653(3) 0.0268(9) Uani 1 1 d . . . . .
N1 N 0.7065(4) -0.0585(4) 1.0169(4) 0.0250(11) Uani 1 1 d . . . . .
N2 N 0.7754(4) 0.1022(4) 0.9496(4) 0.0291(12) Uani 1 1 d . . . . .
C1 C 0.4966(5) 0.1100(5) 0.7562(5) 0.0309(11) Uani 1 1 d . . . . .
C2 C 0.4248(5) 0.0685(5) 0.7372(5) 0.0309(11) Uani 1 1 d . . . . .
C3 C 0.4208(5) -0.0290(5) 0.8090(5) 0.0333(16) Uani 1 1 d . . . . .
H3 H 0.4646 -0.0722 0.8715 0.040 Uiso 1 1 calc R U . . .
C4 C 0.3522(6) -0.0647(6) 0.7900(6) 0.046(2) Uani 1 1 d . . . . .
H4 H 0.3496 -0.1321 0.8397 0.056 Uiso 1 1 calc R U . . .
C5 C 0.2883(6) -0.0028(7) 0.6996(7) 0.054(2) Uani 1 1 d . . . . .
H5 H 0.2415 -0.0271 0.6873 0.064 Uiso 1 1 calc R U . . .
C6 C 0.2928(6) 0.0955(7) 0.6265(6) 0.050(2) Uani 1 1 d . . . . .
H6 H 0.2496 0.1381 0.5638 0.060 Uiso 1 1 calc R U . . .
C7 C 0.3601(5) 0.1305(6) 0.6457(5) 0.0406(17) Uani 1 1 d . . . . .
H7 H 0.3626 0.1979 0.5958 0.049 Uiso 1 1 calc R U . . .
C8 C 0.7757(5) 0.1062(5) 0.7352(5) 0.0267(14) Uani 1 1 d . . . . .
C9 C 0.8511(5) 0.1243(6) 0.6617(5) 0.0346(16) Uani 1 1 d . . . . .
C10 C 0.9300(5) 0.0320(7) 0.6494(6) 0.0460(19) Uani 1 1 d . . . . .
H10 H 0.9327 -0.0413 0.6853 0.055 Uiso 1 1 calc R U . . .
C11 C 1.0049(6) 0.0503(8) 0.5830(6) 0.059(2) Uani 1 1 d . . . . .
H11 H 1.0593 -0.0115 0.5747 0.070 Uiso 1 1 calc R U . . .
C12 C 0.9999(7) 0.1586(9) 0.5291(6) 0.063(2) Uani 1 1 d . . . . .
H12 H 1.0509 0.1704 0.4848 0.075 Uiso 1 1 calc R U . . .
C13 C 0.9228(6) 0.2452(7) 0.5406(6) 0.057(2) Uani 1 1 d . . . . .
H13 H 0.9177 0.3192 0.5011 0.068 Uiso 1 1 calc R U . . .
C14 C 0.8495(5) 0.2307(6) 0.6085(5) 0.0420(18) Uani 1 1 d . . . . .
H14 H 0.7988 0.2930 0.6185 0.050 Uiso 1 1 calc R U . . .
C15 C 0.4995(4) 0.3126(5) 0.8643(5) 0.0286(14) Uani 1 1 d . . . . .
C17A C 0.3881(10) 0.3715(11) 0.9878(8) 0.039(3) Uani 0.7 1 d . . P A 2
C18A C 0.3356(8) 0.4478(14) 1.0270(10) 0.042(3) Uani 0.7 1 d . . P A 2
C19A C 0.3408(13) 0.5480(15) 0.9850(17) 0.053(4) Uani 0.7 1 d . . P A 2
C20A C 0.398(2) 0.5726(13) 0.9072(19) 0.053(3) Uani 0.7 1 d . . P A 2
C21A C 0.4513(16) 0.4968(10) 0.8718(11) 0.036(3) Uani 0.7 1 d . . P A 2
C21B C 0.447(3) 0.4981(16) 0.856(2) 0.036(3) Uani 0.3 1 d G . P A 1
H21B H 0.4737 0.5173 0.7926 0.043 Uiso 0.3 1 calc R U P A 1
C20B C 0.407(5) 0.576(2) 0.895(4) 0.053(3) Uani 0.3 1 d G . P A 1
H20B H 0.4063 0.6483 0.8583 0.063 Uiso 0.3 1 calc R U P A 1
C19B C 0.368(3) 0.548(3) 0.988(4) 0.053(4) Uani 0.3 1 d G . P A 1
H19B H 0.3407 0.6011 1.0149 0.063 Uiso 0.3 1 calc R U P A 1
C18B C 0.3693(19) 0.442(4) 1.042(2) 0.042(3) Uani 0.3 1 d G . P A 1
H18B H 0.3427 0.4229 1.1058 0.050 Uiso 0.3 1 calc R U P A 1
C17B C 0.409(2) 0.364(2) 1.0031(11) 0.039(3) Uani 0.3 1 d G . P A 1
H17B H 0.4101 0.2919 1.0400 0.046 Uiso 0.3 1 calc R U P A 1
C16 C 0.4483(5) 0.3923(5) 0.9101(5) 0.0288(14) Uani 1 1 d G . . . .
C29 C 0.3565(4) 0.6421(5) 0.5574(4) 0.0256(13) Uani 1 1 d . . . . .
C31B C 0.259(5) 0.559(4) 0.696(4) 0.032(2) Uani 0.3 1 d . . P C 2
H31B H 0.2926 0.4930 0.6862 0.039 Uiso 0.3 1 calc R U P C 2
C32B C 0.186(6) 0.560(5) 0.766(5) 0.038(3) Uani 0.3 1 d . . P C 2
H32B H 0.1662 0.4998 0.7978 0.046 Uiso 0.3 1 calc R U P C 2
C33B C 0.143(5) 0.655(6) 0.786(4) 0.047(5) Uani 0.3 1 d . . P C 2
H33B H 0.0945 0.6599 0.8336 0.056 Uiso 0.3 1 calc R U P C 2
C34B C 0.172(4) 0.734(5) 0.738(5) 0.045(4) Uani 0.3 1 d . . P C 2
H34B H 0.1452 0.7957 0.7542 0.054 Uiso 0.3 1 calc R U P C 2
C35A C 0.2599(12) 0.7368(11) 0.6638(13) 0.036(3) Uani 0.7 1 d G . P B 1
C34A C 0.1977(13) 0.7443(16) 0.7408(15) 0.045(4) Uani 0.7 1 d G . P B 1
C33A C 0.1617(18) 0.663(2) 0.7942(15) 0.047(5) Uani 0.7 1 d G . P B 1
C32A C 0.188(2) 0.574(2) 0.7705(18) 0.038(3) Uani 0.7 1 d G . P B 1
C31A C 0.2502(17) 0.5666(13) 0.6936(14) 0.032(2) Uani 0.7 1 d G . P B 1
C30 C 0.2862(5) 0.6480(5) 0.6402(5) 0.0307(15) Uani 1 1 d G U . . .
C35B C 0.239(4) 0.734(3) 0.665(4) 0.036(3) Uani 0.3 1 d . . P C 2
H35B H 0.2534 0.7982 0.6304 0.043 Uiso 0.3 1 calc R U P C 2
C36 C 0.3507(4) 0.4765(5) 0.4195(4) 0.0237(13) Uani 1 1 d . . . . .
C37 C 0.2544(5) 0.4704(5) 0.3931(5) 0.0335(16) Uani 1 1 d . . . . .
C38 C 0.1948(5) 0.4307(6) 0.4665(5) 0.0414(17) Uani 1 1 d . . . . .
C39 C 0.1088(6) 0.4226(6) 0.4457(6) 0.052(2) Uani 1 1 d . . . . .
C40 C 0.0754(6) 0.4608(6) 0.3477(7) 0.055(2) Uani 1 1 d . . . . .
C41 C 0.1283(6) 0.5020(7) 0.2734(6) 0.052(2) Uani 1 1 d . . . . .
C42 C 0.2152(5) 0.5077(6) 0.2959(5) 0.0398(17) Uani 1 1 d . . . . .
C43 C 0.6702(5) -0.1353(5) 1.0496(4) 0.0294(14) Uani 1 1 d . . . . .
H43 H 0.6136 -0.1212 1.0091 0.035 Uiso 1 1 calc R U . . .
C44 C 0.7108(5) -0.2382(5) 1.1421(5) 0.0410(18) Uani 1 1 d . . . . .
H44 H 0.6827 -0.2913 1.1636 0.049 Uiso 1 1 calc R U . . .
C45 C 0.7925(5) -0.2552(5) 1.1977(5) 0.0383(17) Uani 1 1 d . . . . .
H45 H 0.8233 -0.3234 1.2586 0.046 Uiso 1 1 calc R U . . .
C46 C 0.8322(5) -0.1757(5) 1.1679(5) 0.0348(16) Uani 1 1 d . . . . .
C47 C 0.9146(5) -0.1863(7) 1.2248(5) 0.0468(19) Uani 1 1 d . . . . .
H47 H 0.9480 -0.2532 1.2860 0.056 Uiso 1 1 calc R U . . .
C48 C 0.9463(5) -0.1038(6) 1.1938(5) 0.0430(19) Uani 1 1 d . . . . .
H48 H 0.9996 -0.1125 1.2344 0.052 Uiso 1 1 calc R U . . .
C49 C 0.8992(5) -0.0018(6) 1.0989(5) 0.0362(16) Uani 1 1 d . . . . .
C50 C 0.9301(5) 0.0850(6) 1.0644(5) 0.0410(17) Uani 1 1 d . . . . .
H50 H 0.9827 0.0798 1.1029 0.049 Uiso 1 1 calc R U . . .
C51 C 0.8830(5) 0.1769(6) 0.9742(6) 0.0409(18) Uani 1 1 d . . . . .
H51 H 0.9020 0.2375 0.9495 0.049 Uiso 1 1 calc R U . . .
C52 C 0.8068(5) 0.1825(5) 0.9181(5) 0.0321(15) Uani 1 1 d . . . . .
H52 H 0.7761 0.2467 0.8545 0.039 Uiso 1 1 calc R U . . .
C53 C 0.8217(5) 0.0095(5) 1.0404(5) 0.0279(14) Uani 1 1 d . . . . .
C54 C 0.7860(4) -0.0763(5) 1.0745(4) 0.0251(13) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 Eu1 3.9630(7) 2_666 ?
Eu1 O2 2.298(4) . ?
Eu1 O4 2.421(4) . ?
Eu1 O6 2.320(4) . ?
Eu1 O7 2.406(4) . ?
Eu1 O7 2.589(4) 2_666 ?
Eu1 O8 2.449(4) 2_666 ?
Eu1 O9 2.383(4) . ?
Eu1 O10 2.389(4) 2_666 ?
Eu1 C29 2.881(6) 2_666 ?
Zn1 O1 2.029(4) . ?
Zn1 O3 2.306(4) . ?
Zn1 O4 2.212(4) . ?
Zn1 O5 2.055(4) . ?
Zn1 N1 2.098(5) . ?
Zn1 N2 2.179(5) . ?
F17A C17A 1.328(14) . ?
F18A C18A 1.294(13) . ?
F19A C19A 1.317(12) . ?
F20A C20A 1.366(14) . ?
F21A C21A 1.420(14) . ?
F31A C31A 1.310(9) . ?
F32A C32A 1.347(9) . ?
F33A C33A 1.384(9) . ?
F34A C34A 1.329(9) . ?
F35A C35A 1.274(9) . ?
F38 C38 1.365(8) . ?
F39 C39 1.342(8) . ?
F40 C40 1.340(8) . ?
F41 C41 1.356(8) . ?
F42 C42 1.367(7) . ?
O1 C1 1.247(7) . ?
O2 C1 1.260(7) . ?
O3 C8 1.242(7) . ?
O4 C8 1.296(7) . ?
O5 C15 1.262(7) . ?
O6 C15 1.239(7) . ?
O7 Eu1 2.589(4) 2_666 ?
O7 C29 1.278(7) . ?
O8 Eu1 2.449(4) 2_666 ?
O8 C29 1.238(7) . ?
O9 C36 1.254(7) . ?
O10 Eu1 2.389(4) 2_666 ?
O10 C36 1.248(6) . ?
N1 C43 1.324(7) . ?
N1 C54 1.356(7) . ?
N2 C52 1.320(7) . ?
N2 C53 1.367(7) . ?
C1 C2 1.507(8) . ?
C2 C3 1.376(8) . ?
C2 C7 1.398(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.401(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.391(10) . ?
C6 H6 0.9500 . ?
C6 C7 1.379(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.474(8) . ?
C9 C10 1.405(9) . ?
C9 C14 1.393(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.410(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.399(12) . ?
C12 H12 0.9500 . ?
C12 C13 1.335(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.496(8) . ?
C17A C18A 1.386(14) . ?
C17A C16 1.370(13) . ?
C18A C19A 1.353(15) . ?
C19A C20A 1.353(16) . ?
C20A C21A 1.342(14) . ?
C21A C16 1.401(12) . ?
C21B H21B 0.9500 . ?
C21B C20B 1.3900 . ?
C21B C16 1.3900 . ?
C20B H20B 0.9500 . ?
C20B C19B 1.3900 . ?
C19B H19B 0.9500 . ?
C19B C18B 1.3900 . ?
C18B H18B 0.9500 . ?
C18B C17B 1.3900 . ?
C17B H17B 0.9500 . ?
C17B C16 1.3900 . ?
C29 Eu1 2.881(6) 2_666 ?
C29 C30 1.516(8) . ?
C31B H31B 0.9500 . ?
C31B C32B 1.38(3) . ?
C31B C30 1.41(3) . ?
C32B H32B 0.9500 . ?
C32B C33B 1.42(4) . ?
C33B H33B 0.9500 . ?
C33B C34B 1.28(4) . ?
C34B H34B 0.9500 . ?
C34B C35B 1.37(4) . ?
C35A C34A 1.3900 . ?
C35A C30 1.3900 . ?
C34A C33A 1.3900 . ?
C33A C32A 1.3900 . ?
C32A C31A 1.3900 . ?
C31A C30 1.3900 . ?
C30 C35B 1.35(3) . ?
C35B H35B 0.9500 . ?
C36 C37 1.517(8) . ?
C37 C38 1.390(9) . ?
C37 C42 1.380(9) . ?
C38 C39 1.364(10) . ?
C39 C40 1.362(11) . ?
C40 C41 1.338(10) . ?
C41 C42 1.365(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.434(8) . ?
C44 H44 0.9500 . ?
C44 C45 1.366(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.398(9) . ?
C46 C47 1.435(9) . ?
C46 C54 1.425(8) . ?
C47 H47 0.9500 . ?
C47 C48 1.353(10) . ?
C48 H48 0.9500 . ?
C48 C49 1.454(9) . ?
C49 C50 1.396(9) . ?
C49 C53 1.386(9) . ?
C50 H50 0.9500 . ?
C50 C51 1.359(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.394(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.432(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Eu1 Eu1 142.13(10) . 2_666 ?
O2 Eu1 O4 76.41(14) . . ?
O2 Eu1 O6 81.23(16) . . ?
O2 Eu1 O7 134.00(15) . 2_666 ?
O2 Eu1 O7 123.58(14) . . ?
O2 Eu1 O8 88.84(15) . 2_666 ?
O2 Eu1 O9 74.36(14) . . ?
O2 Eu1 O10 147.99(14) . 2_666 ?
O2 Eu1 C29 112.11(17) . 2_666 ?
O4 Eu1 Eu1 137.76(9) . 2_666 ?
O4 Eu1 O7 109.96(12) . 2_666 ?
O4 Eu1 O8 77.09(13) . 2_666 ?
O4 Eu1 C29 92.39(15) . 2_666 ?
O6 Eu1 Eu1 115.65(10) . 2_666 ?
O6 Eu1 O4 78.86(14) . . ?
O6 Eu1 O7 80.64(14) . . ?
O6 Eu1 O7 144.47(14) . 2_666 ?
O6 Eu1 O8 155.53(14) . 2_666 ?
O6 Eu1 O9 121.72(15) . . ?
O6 Eu1 O10 79.48(15) . 2_666 ?
O6 Eu1 C29 162.11(16) . 2_666 ?
O7 Eu1 Eu1 35.90(8) 2_666 2_666 ?
O7 Eu1 Eu1 39.13(9) . 2_666 ?
O7 Eu1 O4 148.46(14) . . ?
O7 Eu1 O7 75.03(14) . 2_666 ?
O7 Eu1 O8 123.05(13) . 2_666 ?
O7 Eu1 C29 26.33(14) 2_666 2_666 ?
O7 Eu1 C29 100.15(15) . 2_666 ?
O8 Eu1 Eu1 85.67(9) 2_666 2_666 ?
O8 Eu1 O7 51.51(12) 2_666 2_666 ?
O8 Eu1 C29 25.24(14) 2_666 2_666 ?
O9 Eu1 Eu1 67.94(9) . 2_666 ?
O9 Eu1 O4 140.33(13) . . ?
O9 Eu1 O7 71.19(13) . . ?
O9 Eu1 O7 74.03(13) . 2_666 ?
O9 Eu1 O8 76.10(14) . 2_666 ?
O9 Eu1 O10 137.65(13) . 2_666 ?
O9 Eu1 C29 74.72(15) . 2_666 ?
O10 Eu1 Eu1 69.78(9) 2_666 2_666 ?
O10 Eu1 O4 74.97(13) 2_666 . ?
O10 Eu1 O7 77.92(13) 2_666 . ?
O10 Eu1 O7 70.45(13) 2_666 2_666 ?
O10 Eu1 O8 98.41(14) 2_666 2_666 ?
O10 Eu1 C29 83.20(15) 2_666 2_666 ?
C29 Eu1 Eu1 61.41(12) 2_666 2_666 ?
O1 Zn1 O3 94.64(18) . . ?
O1 Zn1 O4 100.39(16) . . ?
O1 Zn1 O5 97.89(18) . . ?
O1 Zn1 N1 91.14(18) . . ?
O1 Zn1 N2 169.19(17) . . ?
O4 Zn1 O3 58.18(14) . . ?
O5 Zn1 O3 160.57(15) . . ?
O5 Zn1 O4 104.73(15) . . ?
O5 Zn1 N1 101.84(17) . . ?
O5 Zn1 N2 86.48(18) . . ?
N1 Zn1 O3 92.67(16) . . ?
N1 Zn1 O4 149.15(16) . . ?
N1 Zn1 N2 78.26(19) . . ?
N2 Zn1 O3 83.86(17) . . ?
N2 Zn1 O4 87.95(17) . . ?
C1 O1 Zn1 125.1(4) . . ?
C1 O2 Eu1 155.1(4) . . ?
C8 O3 Zn1 89.1(4) . . ?
Zn1 O4 Eu1 113.51(16) . . ?
C8 O4 Eu1 140.7(4) . . ?
C8 O4 Zn1 91.9(3) . . ?
C15 O5 Zn1 123.4(4) . . ?
C15 O6 Eu1 153.2(4) . . ?
Eu1 O7 Eu1 104.97(14) . 2_666 ?
C29 O7 Eu1 157.0(4) . . ?
C29 O7 Eu1 89.7(3) . 2_666 ?
C29 O8 Eu1 97.3(4) . 2_666 ?
C36 O9 Eu1 137.9(4) . . ?
C36 O10 Eu1 135.1(4) . 2_666 ?
C43 N1 Zn1 127.0(4) . . ?
C43 N1 C54 118.7(5) . . ?
C54 N1 Zn1 114.4(4) . . ?
C52 N2 Zn1 130.4(4) . . ?
C52 N2 C53 117.9(6) . . ?
C53 N2 Zn1 111.8(4) . . ?
O1 C1 O2 124.5(6) . . ?
O1 C1 C2 118.2(5) . . ?
O2 C1 C2 117.4(6) . . ?
C3 C2 C1 121.1(6) . . ?
C3 C2 C7 119.2(6) . . ?
C7 C2 C1 119.7(5) . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.9(7) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(7) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(7) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.6(8) . . ?
C7 C6 H6 120.2 . . ?
C2 C7 H7 119.5 . . ?
C6 C7 C2 121.0(7) . . ?
C6 C7 H7 119.5 . . ?
O3 C8 O4 120.0(6) . . ?
O3 C8 C9 121.1(6) . . ?
O4 C8 C9 118.8(5) . . ?
C10 C9 C8 119.8(6) . . ?
C14 C9 C8 120.8(6) . . ?
C14 C9 C10 119.3(6) . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.7(7) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(8) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.3(8) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 118.9 . . ?
C12 C13 C14 122.2(8) . . ?
C14 C13 H13 118.9 . . ?
C9 C14 C13 119.7(8) . . ?
C9 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
O5 C15 C16 117.7(6) . . ?
O6 C15 O5 125.7(6) . . ?
O6 C15 C16 116.6(5) . . ?
F17A C17A C18A 117.1(10) . . ?
F17A C17A C16 120.7(10) . . ?
C16 C17A C18A 122.2(10) . . ?
F18A C18A C17A 122.4(12) . . ?
F18A C18A C19A 118.5(13) . . ?
C19A C18A C17A 119.1(10) . . ?
F19A C19A C18A 125.0(15) . . ?
F19A C19A C20A 114.4(14) . . ?
C18A C19A C20A 120.7(10) . . ?
C19A C20A F20A 124.4(13) . . ?
C21A C20A F20A 115.7(13) . . ?
C21A C20A C19A 119.9(10) . . ?
C20A C21A F21A 121.0(10) . . ?
C20A C21A C16 122.7(10) . . ?
C16 C21A F21A 116.0(10) . . ?
C20B C21B H21B 120.0 . . ?
C20B C21B C16 120.0 . . ?
C16 C21B H21B 120.0 . . ?
C21B C20B H20B 120.0 . . ?
C21B C20B C19B 120.0 . . ?
C19B C20B H20B 120.0 . . ?
C20B C19B H19B 120.0 . . ?
C18B C19B C20B 120.0 . . ?
C18B C19B H19B 120.0 . . ?
C19B C18B H18B 120.0 . . ?
C19B C18B C17B 120.0 . . ?
C17B C18B H18B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C18B C17B C16 120.0 . . ?
C16 C17B H17B 120.0 . . ?
C17A C16 C15 121.8(8) . . ?
C17A C16 C21A 115.4(9) . . ?
C21A C16 C15 122.5(8) . . ?
C21B C16 C15 115.5(11) . . ?
C17B C16 C15 124.4(11) . . ?
C17B C16 C21B 120.0 . . ?
O7 C29 Eu1 64.0(3) . 2_666 ?
O7 C29 C30 119.2(5) . . ?
O8 C29 Eu1 57.5(3) . 2_666 ?
O8 C29 O7 121.2(6) . . ?
O8 C29 C30 119.5(5) . . ?
C30 C29 Eu1 172.0(4) . 2_666 ?
C32B C31B H31B 117.5 . . ?
C32B C31B C30 125(2) . . ?
C30 C31B H31B 117.5 . . ?
C31B C32B H32B 121.9 . . ?
C31B C32B C33B 116(2) . . ?
C33B C32B H32B 121.9 . . ?
C32B C33B H33B 120.5 . . ?
C34B C33B C32B 119(3) . . ?
C34B C33B H33B 120.5 . . ?
C33B C34B H34B 118.2 . . ?
C33B C34B C35B 124(3) . . ?
C35B C34B H34B 118.2 . . ?
F35A C35A C34A 113.3(7) . . ?
F35A C35A C30 126.6(7) . . ?
C34A C35A C30 120.0 . . ?
F34A C34A C35A 125.5(9) . . ?
F34A C34A C33A 114.3(9) . . ?
C33A C34A C35A 120.0 . . ?
F33A C33A C34A 123.1(10) . . ?
F33A C33A C32A 116.8(10) . . ?
C32A C33A C34A 120.0 . . ?
F32A C32A C33A 121.8(9) . . ?
F32A C32A C31A 118.2(9) . . ?
C33A C32A C31A 120.0 . . ?
F31A C31A C32A 118.5(7) . . ?
F31A C31A C30 121.4(7) . . ?
C32A C31A C30 120.0 . . ?
C31B C30 C29 119.5(15) . . ?
C35A C30 C29 117.9(5) . . ?
C31A C30 C29 122.1(5) . . ?
C31A C30 C35A 120.0 . . ?
C35B C30 C29 127.4(17) . . ?
C35B C30 C31B 113(2) . . ?
C34B C35B H35B 118.5 . . ?
C30 C35B C34B 123(3) . . ?
C30 C35B H35B 118.5 . . ?
O9 C36 C37 115.1(5) . . ?
O10 C36 O9 127.6(5) . . ?
O10 C36 C37 117.3(5) . . ?
C38 C37 C36 121.8(6) . . ?
C42 C37 C36 124.1(6) . . ?
C42 C37 C38 114.0(6) . . ?
F38 C38 C37 119.6(6) . . ?
C39 C38 F38 117.0(6) . . ?
C39 C38 C37 123.4(7) . . ?
F39 C39 C38 120.2(8) . . ?
F39 C39 C40 120.7(7) . . ?
C40 C39 C38 118.9(7) . . ?
F40 C40 C39 118.7(7) . . ?
C41 C40 F40 120.7(8) . . ?
C41 C40 C39 120.5(7) . . ?
F41 C41 C42 119.2(7) . . ?
C40 C41 F41 121.1(7) . . ?
C40 C41 C42 119.6(7) . . ?
F42 C42 C37 118.3(6) . . ?
C41 C42 F42 118.1(7) . . ?
C41 C42 C37 123.5(7) . . ?
N1 C43 H43 117.9 . . ?
N1 C43 C44 124.2(6) . . ?
C44 C43 H43 117.9 . . ?
C43 C44 H44 122.0 . . ?
C45 C44 C43 116.0(6) . . ?
C45 C44 H44 122.0 . . ?
C44 C45 H45 118.9 . . ?
C44 C45 C46 122.2(6) . . ?
C46 C45 H45 118.9 . . ?
C45 C46 C47 125.0(6) . . ?
C45 C46 C54 117.2(6) . . ?
C54 C46 C47 117.9(6) . . ?
C46 C47 H47 119.0 . . ?
C48 C47 C46 122.0(7) . . ?
C48 C47 H47 119.0 . . ?
C47 C48 H48 119.8 . . ?
C47 C48 C49 120.5(6) . . ?
C49 C48 H48 119.8 . . ?
C50 C49 C48 122.1(7) . . ?
C53 C49 C48 119.0(6) . . ?
C53 C49 C50 118.9(7) . . ?
C49 C50 H50 120.8 . . ?
C51 C50 C49 118.4(7) . . ?
C51 C50 H50 120.8 . . ?
C50 C51 H51 120.0 . . ?
C50 C51 C52 120.0(7) . . ?
C52 C51 H51 120.0 . . ?
N2 C52 C51 122.7(7) . . ?
N2 C52 H52 118.7 . . ?
C51 C52 H52 118.7 . . ?
N2 C53 C49 122.1(6) . . ?
N2 C53 C54 117.3(5) . . ?
C49 C53 C54 120.5(6) . . ?
N1 C54 C46 121.8(6) . . ?
N1 C54 C53 118.2(5) . . ?
C46 C54 C53 120.0(6) . . ?

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
Eu1 O2 C1 O1 -0.6(16) . . . . ?
Eu1 O2 C1 C2 179.3(7) . . . . ?
Eu1 O4 C8 O3 -123.1(6) . . . . ?
Eu1 O4 C8 C9 60.3(8) . . . . ?
Eu1 O6 C15 O5 -12.0(14) . . . . ?
Eu1 O6 C15 C16 167.6(7) . . . . ?
Eu1 O7 C29 Eu1 130.3(9) . . . 2_666 ?
Eu1 O7 C29 O8 124.9(8) . . . . ?
Eu1 O7 C29 O8 -5.4(6) 2_666 . . . ?
Eu1 O7 C29 C30 -57.9(12) . . . . ?
Eu1 O7 C29 C30 171.7(5) 2_666 . . . ?
Eu1 O8 C29 O7 5.8(6) 2_666 . . . ?
Eu1 O8 C29 C30 -171.4(5) 2_666 . . . ?
Eu1 O9 C36 O10 19.8(11) . . . . ?
Eu1 O9 C36 C37 -156.7(4) . . . . ?
Eu1 O10 C36 O9 -12.9(10) 2_666 . . . ?
Eu1 O10 C36 C37 163.5(4) 2_666 . . . ?
Zn1 O1 C1 O2 1.9(10) . . . . ?
Zn1 O1 C1 C2 -178.0(4) . . . . ?
Zn1 O3 C8 O4 -8.7(6) . . . . ?
Zn1 O3 C8 C9 167.8(5) . . . . ?
Zn1 O4 C8 O3 9.1(6) . . . . ?
Zn1 O4 C8 C9 -167.5(5) . . . . ?
Zn1 O5 C15 O6 17.9(9) . . . . ?
Zn1 O5 C15 C16 -161.6(4) . . . . ?
Zn1 N1 C43 C44 177.5(5) . . . . ?
Zn1 N1 C54 C46 -177.7(5) . . . . ?
Zn1 N1 C54 C53 3.8(7) . . . . ?
Zn1 N2 C52 C51 178.1(4) . . . . ?
Zn1 N2 C53 C49 -179.4(5) . . . . ?
Zn1 N2 C53 C54 -0.3(7) . . . . ?
F17A C17A C18A F18A -1.3(17) . . . . ?
F17A C17A C18A C19A -179.4(13) . . . . ?
F17A C17A C16 C15 5.4(15) . . . . ?
F17A C17A C16 C21A -179.4(15) . . . . ?
F18A C18A C19A F19A 2(2) . . . . ?
F18A C18A C19A C20A -179.5(14) . . . . ?
F19A C19A C20A F20A -2(2) . . . . ?
F19A C19A C20A C21A 178.3(17) . . . . ?
F20A C20A C21A F21A -4.1(19) . . . . ?
F20A C20A C21A C16 -178(2) . . . . ?
F21A C21A C16 C15 0(2) . . . . ?
F21A C21A C16 C17A -175.1(14) . . . . ?
F31A C31A C30 C29 -4(3) . . . . ?
F31A C31A C30 C35A 178(2) . . . . ?
F32A C32A C31A F31A 3.0(13) . . . . ?
F32A C32A C31A C30 -179(3) . . . . ?
F33A C33A C32A F32A 2.0(19) . . . . ?
F33A C33A C32A C31A -177(2) . . . . ?
F34A C34A C33A F33A 2(2) . . . . ?
F34A C34A C33A C32A -175.3(18) . . . . ?
F35A C35A C34A F34A -2.9(16) . . . . ?
F35A C35A C34A C33A -178(2) . . . . ?
F35A C35A C30 C29 -1(2) . . . . ?
F35A C35A C30 C31A 177(2) . . . . ?
F38 C38 C39 F39 -1.8(10) . . . . ?
F38 C38 C39 C40 173.4(7) . . . . ?
F39 C39 C40 F40 -3.1(12) . . . . ?
F39 C39 C40 C41 177.5(7) . . . . ?
F40 C40 C41 F41 -1.7(13) . . . . ?
F40 C40 C41 C42 179.3(7) . . . . ?
F41 C41 C42 F42 -0.6(11) . . . . ?
F41 C41 C42 C37 -177.5(7) . . . . ?
O1 C1 C2 C3 3.7(9) . . . . ?
O1 C1 C2 C7 -177.0(6) . . . . ?
O2 C1 C2 C3 -176.2(6) . . . . ?
O2 C1 C2 C7 3.1(9) . . . . ?
O3 C8 C9 C10 16.9(9) . . . . ?
O3 C8 C9 C14 -158.9(6) . . . . ?
O4 C8 C9 C10 -166.5(6) . . . . ?
O4 C8 C9 C14 17.6(9) . . . . ?
O5 C15 C16 C17A -45.6(10) . . . . ?
O5 C15 C16 C21A 139.6(12) . . . . ?
O5 C15 C16 C21B 147(2) . . . . ?
O5 C15 C16 C17B -28.7(16) . . . . ?
O6 C15 C16 C17A 134.8(9) . . . . ?
O6 C15 C16 C21A -40.0(13) . . . . ?
O6 C15 C16 C21B -32(2) . . . . ?
O6 C15 C16 C17B 151.7(15) . . . . ?
O7 C29 C30 C31B -17(3) . . . . ?
O7 C29 C30 C35A 156.5(10) . . . . ?
O7 C29 C30 C31A -21.9(14) . . . . ?
O7 C29 C30 C35B 167(3) . . . . ?
O8 C29 C30 C31B 160(3) . . . . ?
O8 C29 C30 C35A -26.3(11) . . . . ?
O8 C29 C30 C31A 155.3(13) . . . . ?
O8 C29 C30 C35B -16(3) . . . . ?
O9 C36 C37 C38 41.8(9) . . . . ?
O9 C36 C37 C42 -141.2(7) . . . . ?
O10 C36 C37 C38 -135.1(6) . . . . ?
O10 C36 C37 C42 41.8(9) . . . . ?
N1 C43 C44 C45 -0.3(10) . . . . ?
N2 C53 C54 N1 -2.3(8) . . . . ?
N2 C53 C54 C46 179.2(6) . . . . ?
C1 C2 C3 C4 179.0(5) . . . . ?
C1 C2 C7 C6 -179.3(6) . . . . ?
C2 C3 C4 C5 0.0(10) . . . . ?
C3 C2 C7 C6 0.0(10) . . . . ?
C3 C4 C5 C6 0.5(11) . . . . ?
C4 C5 C6 C7 -0.7(11) . . . . ?
C5 C6 C7 C2 0.5(11) . . . . ?
C7 C2 C3 C4 -0.3(10) . . . . ?
C8 C9 C10 C11 -176.3(6) . . . . ?
C8 C9 C14 C13 179.0(6) . . . . ?
C9 C10 C11 C12 -0.9(11) . . . . ?
C10 C9 C14 C13 3.0(10) . . . . ?
C10 C11 C12 C13 -0.5(12) . . . . ?
C11 C12 C13 C14 3.3(12) . . . . ?
C12 C13 C14 C9 -4.6(11) . . . . ?
C14 C9 C10 C11 -0.4(10) . . . . ?
C17A C18A C19A F19A 179.8(16) . . . . ?
C17A C18A C19A C20A -1(2) . . . . ?
C18A C17A C16 C15 -176.3(9) . . . . ?
C18A C17A C16 C21A -1.2(14) . . . . ?
C18A C19A C20A F20A 179(2) . . . . ?
C18A C19A C20A C21A -1(2) . . . . ?
C19A C20A C21A F21A 176(2) . . . . ?
C19A C20A C21A C16 1.8(18) . . . . ?
C20A C21A C16 C15 174.2(11) . . . . ?
C20A C21A C16 C17A -0.9(15) . . . . ?
C21B C20B C19B C18B 0.0 . . . . ?
C20B C21B C16 C15 -176.1(11) . . . . ?
C20B C21B C16 C17B 0.0 . . . . ?
C20B C19B C18B C17B 0.0 . . . . ?
C19B C18B C17B C16 0.0 . . . . ?
C18B C17B C16 C15 175.8(12) . . . . ?
C18B C17B C16 C21B 0.0 . . . . ?
C16 C17A C18A F18A -179.6(10) . . . . ?
C16 C17A C18A C19A 2.3(17) . . . . ?
C16 C21B C20B C19B 0.0 . . . . ?
C29 C30 C35B C34B 176(3) . . . . ?
C31B C32B C33B C34B 2(5) . . . . ?
C31B C30 C35B C34B 0(4) . . . . ?
C32B C31B C30 C29 -172(2) . . . . ?
C32B C31B C30 C35B 4(3) . . . . ?
C32B C33B C34B C35B 3(6) . . . . ?
C33B C34B C35B C30 -4(6) . . . . ?
C35A C34A C33A F33A 177(2) . . . . ?
C35A C34A C33A C32A 0.0 . . . . ?
C34A C35A C30 C29 -178.5(8) . . . . ?
C34A C35A C30 C31A 0.0 . . . . ?
C34A C33A C32A F32A 179(3) . . . . ?
C34A C33A C32A C31A 0.0 . . . . ?
C33A C32A C31A F31A -178(2) . . . . ?
C33A C32A C31A C30 0.0 . . . . ?
C32A C31A C30 C29 178.4(9) . . . . ?
C32A C31A C30 C35A 0.0 . . . . ?
C30 C31B C32B C33B -5(4) . . . . ?
C30 C35A C34A F34A 175(2) . . . . ?
C30 C35A C34A C33A 0.0 . . . . ?
C36 C37 C38 F38 4.0(10) . . . . ?
C36 C37 C38 C39 -179.0(7) . . . . ?
C36 C37 C42 F42 3.3(10) . . . . ?
C36 C37 C42 C41 -179.8(7) . . . . ?
C37 C38 C39 F39 -178.9(6) . . . . ?
C37 C38 C39 C40 -3.7(12) . . . . ?
C38 C37 C42 F42 -179.5(6) . . . . ?
C38 C37 C42 C41 -2.6(10) . . . . ?
C38 C39 C40 F40 -178.2(7) . . . . ?
C38 C39 C40 C41 2.3(13) . . . . ?
C39 C40 C41 F41 177.8(8) . . . . ?
C39 C40 C41 C42 -1.3(13) . . . . ?
C40 C41 C42 F42 178.5(7) . . . . ?
C40 C41 C42 C37 1.5(12) . . . . ?
C42 C37 C38 F38 -173.3(6) . . . . ?
C42 C37 C38 C39 3.7(10) . . . . ?
C43 N1 C54 C46 1.0(9) . . . . ?
C43 N1 C54 C53 -177.4(5) . . . . ?
C43 C44 C45 C46 1.9(10) . . . . ?
C44 C45 C46 C47 177.2(7) . . . . ?
C44 C45 C46 C54 -1.9(10) . . . . ?
C45 C46 C47 C48 -177.0(7) . . . . ?
C45 C46 C54 N1 0.4(9) . . . . ?
C45 C46 C54 C53 178.9(6) . . . . ?
C46 C47 C48 C49 -1.9(11) . . . . ?
C47 C46 C54 N1 -178.8(6) . . . . ?
C47 C46 C54 C53 -0.4(9) . . . . ?
C47 C48 C49 C50 -179.8(6) . . . . ?
C47 C48 C49 C53 -0.3(10) . . . . ?
C48 C49 C50 C51 179.2(7) . . . . ?
C48 C49 C53 N2 -178.9(6) . . . . ?
C48 C49 C53 C54 2.1(9) . . . . ?
C49 C50 C51 C52 -0.7(10) . . . . ?
C49 C53 C54 N1 176.8(5) . . . . ?
C49 C53 C54 C46 -1.8(9) . . . . ?
C50 C49 C53 N2 0.7(9) . . . . ?
C50 C49 C53 C54 -178.4(6) . . . . ?
C50 C51 C52 N2 1.6(10) . . . . ?
C52 N2 C53 C49 0.1(9) . . . . ?
C52 N2 C53 C54 179.1(5) . . . . ?
C53 N2 C52 C51 -1.2(9) . . . . ?
C53 C49 C50 C51 -0.3(10) . . . . ?
C54 N1 C43 C44 -1.1(9) . . . . ?
C54 C46 C47 C48 2.2(10) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.675 0.175 -0.675 488.2 59.1 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2343088'
loop_
_audit_author_name
_audit_author_address
'Maksim shmelev'
;kurnakov institute of general and inorganic chemistry
Russia
;
_audit_update_record             
;
2024-10-12 deposited with the CCDC.	2025-03-03 downloaded from the CCDC.
;
_audit_creation_date             2024-10-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H36 Eu2 F30 N4 O20 Zn2, 3(C2 H3 N)'
_chemical_formula_sum            'C100 H45 Eu2 F30 N7 O20 Zn2'
_chemical_formula_weight         2669.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.496(3)
_cell_length_b                   14.461(3)
_cell_length_c                   14.786(3)
_cell_angle_alpha                63.754(4)
_cell_angle_beta                 86.131(6)
_cell_angle_gamma                78.080(5)
_cell_volume                     2531.4(8)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    5340
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   0.883
_shelx_estimated_absorpt_T_min   0.811
_exptl_absorpt_coefficient_mu    1.818
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.4797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1276 before and 0.0598 after correction.
The Ratio of minimum to maximum transmission is 0.6436.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1310
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.1006
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15962
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        24.713
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         1.992
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6233
_reflns_number_total             8505
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.146
_refine_diff_density_min         -1.532
_refine_diff_density_rms         0.161
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         8505
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0569
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0856P)²+2.9117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1425
_refine_ls_wR_factor_ref         0.1644
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F34A) \\sim Ueq, Uanis(F35A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(F35A) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(C6) = Uanis(C7)
Uanis(F32A) = Uanis(F31A)
Uanis(F34A) = Uanis(F35A)
Uanis(C35B) = Uanis(C34B)
Uanis(C32B) = Uanis(C35B)
Uanis(C12B) = Uanis(C12A)
Uanis(C11B) = Uanis(C11A)
Uanis(C10B) = Uanis(C10A)
Uanis(C14B) = Uanis(C14A)
Uanis(C13B) = Uanis(C13A)
Uanis(C35A) = Uanis(C35B)
Uanis(C34A) = Uanis(C34B)
Uanis(C33B) = Uanis(C33A)
Uanis(C32B) = Uanis(C32A)
Uanis(C31B) = Uanis(C31A)
Uanis(C6S) = Uanis(C5S)
Uanis(F33A) = Uanis(C33A)
3. Others
 Fixed Sof: C35B(0.8) H35B(0.8) C31B(0.8) H31B(0.8) C11B(0.2) H11B(0.2)
 C12B(0.2) H12B(0.2) C13B(0.2) H13B(0.2) C14B(0.2) H14B(0.2) C10B(0.2)
 H10B(0.2) C34B(0.8) H34B(0.8) C32B(0.8) H32B(0.8) C33B(0.8) H33B(0.8)
 F31A(0.2) F35A(0.2) F34A(0.2) F33A(0.2) F32A(0.2) F14A(0.8) F13A(0.8)
 F12A(0.8) C35A(0.2) C31A(0.2) C32A(0.2) C33A(0.2) C34A(0.2) F10A(0.8)
 F11A(0.8) C10A(0.8) C11A(0.8) C12A(0.8) C13A(0.8) C14A(0.8) N4S(0.5) C5S(0.5)
 C6S(0.5) H6SA(0.5) H6SB(0.5) H6SC(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C35B(H35B), C31B(H31B), C11B(H11B), C12B(H12B), C13B(H13B), C14B(H14B),
 C10B(H10B), C40(H40), C36(H36), C34B(H34B), C41(H41), C37(H37), C38(H38),
 C7(H7), C43(H43), C45(H45), C32B(H32B), C44(H44), C33B(H33B), C6(H6), C3(H3),
 C5(H5), C4(H4)
4.b Fitted hexagon refined as free rotating group:
 C11B(C12B,C13B,C14B,C9,C10B), C35A(C30,C31A,C32A,C33A,C34A)
4.c Idealised Me refined as rotating group:
 C3S(H3SA,H3SB,H3SC), C6S(H6SA,H6SB,H6SC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.50730(3) 0.39695(3) 0.14221(3) 0.02243(15) Uani 1 1 d . . . . .
Zn1 Zn 0.42291(7) 0.23373(7) 0.41346(7) 0.0289(2) Uani 1 1 d . . . . .
O1 O 0.6079(4) 0.2517(4) 0.2609(4) 0.0375(14) Uani 1 1 d . . . . .
O10 O 0.6096(4) 0.5019(4) 0.1707(4) 0.0342(14) Uani 1 1 d . . . . .
F21 F 0.3172(4) 0.5953(4) 0.2654(4) 0.0572(15) Uani 1 1 d . . . . .
O9 O 0.5369(4) 0.5781(4) 0.0205(4) 0.0300(13) Uani 1 1 d . . . . .
O5 O 0.4460(4) 0.3918(4) 0.3007(4) 0.0289(13) Uani 1 1 d . . . . .
O7 O 0.3531(4) 0.5198(4) 0.1039(4) 0.0360(14) Uani 1 1 d . . . . .
F17 F 0.6438(5) 0.4673(5) 0.4132(5) 0.0612(16) Uani 1 1 d . . . . .
O6 O 0.4766(5) 0.3501(5) 0.4610(4) 0.0418(15) Uani 1 1 d . . . . .
O8 O 0.3417(4) 0.6354(4) -0.0597(4) 0.0383(15) Uani 1 1 d . . . . .
F18 F 0.6689(5) 0.6635(5) 0.3579(5) 0.0695(18) Uani 1 1 d . . . . .
F24 F 0.1349(4) 0.5417(4) 0.1353(4) 0.0514(14) Uani 1 1 d . . . . .
F28 F 0.3139(5) 0.8180(4) -0.0260(5) 0.0717(19) Uani 1 1 d . . . . .
O4 O 0.3599(4) 0.1740(4) 0.3338(4) 0.0373(14) Uani 1 1 d . . . . .
F25 F -0.0070(4) 0.6694(5) 0.1856(5) 0.0717(19) Uani 1 1 d . . . . .
F19 F 0.5175(6) 0.8290(5) 0.2554(5) 0.082(2) Uani 1 1 d . . . . .
O3 O 0.3952(5) 0.2859(5) 0.1795(4) 0.0395(15) Uani 1 1 d . . . . .
O2 O 0.5653(4) 0.1583(4) 0.4193(4) 0.0338(14) Uani 1 1 d . . . . .
F27 F 0.1691(5) 0.9457(5) 0.0211(5) 0.082(2) Uani 1 1 d . . . . .
N1 N 0.3961(5) 0.1308(5) 0.5610(5) 0.0291(15) Uani 1 1 d . . . . .
F20 F 0.3419(5) 0.7942(5) 0.2083(5) 0.077(2) Uani 1 1 d . . . . .
F26 F 0.0087(5) 0.8725(5) 0.1279(5) 0.078(2) Uani 1 1 d . . . . .
N2 N 0.2720(5) 0.3064(6) 0.4309(5) 0.0339(17) Uani 1 1 d . . . . .
C29 C 0.5880(6) 0.5815(6) 0.0880(6) 0.0304(19) Uani 1 1 d . . . . .
C15 C 0.4680(6) 0.4150(7) 0.3702(6) 0.033(2) Uani 1 1 d . . . . .
C16 C 0.4807(7) 0.5252(7) 0.3404(6) 0.036(2) Uani 1 1 d . . . . .
C35B C 0.5624(11) 0.7803(9) 0.0004(12) 0.0428(19) Uani 0.8 1 d . . P A 2
H35B H 0.5076 0.7829 -0.0383 0.051 Uiso 0.8 1 calc R U P A 2
C2 C 0.7311(6) 0.1115(6) 0.3704(6) 0.0317(19) Uani 1 1 d . . . . .
C39 C 0.2702(7) 0.1013(7) 0.6918(7) 0.040(2) Uani 1 1 d . . . . .
C31B C 0.6949(10) 0.6812(11) 0.1277(10) 0.042(3) Uani 0.8 1 d . . P A 2
H31B H 0.7304 0.6160 0.1771 0.050 Uiso 0.8 1 calc R U P A 2
C17 C 0.5673(7) 0.5467(7) 0.3637(6) 0.038(2) Uani 1 1 d . . . . .
C1 C 0.6287(6) 0.1789(7) 0.3481(6) 0.0313(19) Uani 1 1 d . . . . .
C21 C 0.4064(8) 0.6115(8) 0.2878(7) 0.042(2) Uani 1 1 d . . . . .
C23 C 0.2293(6) 0.6747(7) 0.0524(6) 0.035(2) Uani 1 1 d . . . . .
C47 C 0.3032(6) 0.1596(6) 0.5941(6) 0.0305(19) Uani 1 1 d . . . . .
C11B C 0.112(3) 0.236(7) 0.103(4) 0.044(4) Uani 0.2 1 d G . P B 2
H11B H 0.0574 0.2884 0.0627 0.053 Uiso 0.2 1 calc R U P B 2
C12B C 0.116(5) 0.131(8) 0.129(7) 0.049(4) Uani 0.2 1 d G . P B 2
H12B H 0.0636 0.1107 0.1061 0.058 Uiso 0.2 1 calc R U P B 2
C13B C 0.196(6) 0.055(5) 0.189(9) 0.047(4) Uani 0.2 1 d G . P B 2
H13B H 0.1982 -0.0172 0.2067 0.056 Uiso 0.2 1 calc R U P B 2
C14B C 0.272(4) 0.0843(14) 0.223(5) 0.032(3) Uani 0.2 1 d G . P B 2
H14B H 0.3265 0.0324 0.2637 0.038 Uiso 0.2 1 calc R U P B 2
C9 C 0.2682(6) 0.1898(7) 0.1971(6) 0.0310(19) Uani 1 1 d G . . . .
C10B C 0.188(2) 0.266(3) 0.137(3) 0.039(3) Uani 0.2 1 d G . P B 2
H10B H 0.1858 0.3380 0.1198 0.046 Uiso 0.2 1 calc R U P B 2
C42 C 0.1399(7) 0.2841(7) 0.5535(7) 0.040(2) Uani 1 1 d . . . . .
C22 C 0.3154(6) 0.6023(7) 0.0306(6) 0.034(2) Uani 1 1 d . . . . .
C40 C 0.1723(7) 0.1368(8) 0.7193(7) 0.047(2) Uani 1 1 d . . . . .
H40 H 0.1504 0.0987 0.7855 0.056 Uiso 1 1 calc R U . . .
C36 C 0.4568(6) 0.0464(6) 0.6226(6) 0.0309(19) Uani 1 1 d . . . . .
H36 H 0.5211 0.0258 0.5995 0.037 Uiso 1 1 calc R U . . .
C46 C 0.2361(6) 0.2515(6) 0.5239(6) 0.0304(19) Uani 1 1 d . . . . .
C34B C 0.5884(13) 0.8740(10) -0.0116(14) 0.0428(19) Uani 0.8 1 d . . P A 2
H34B H 0.5523 0.9403 -0.0587 0.051 Uiso 0.8 1 calc R U P A 2
C24 C 0.1466(7) 0.6405(8) 0.1078(6) 0.040(2) Uani 1 1 d . . . . .
C41 C 0.1092(7) 0.2234(8) 0.6540(7) 0.048(3) Uani 1 1 d . . . . .
H41 H 0.0438 0.2444 0.6748 0.058 Uiso 1 1 calc R U . . .
C8 C 0.3470(6) 0.2191(6) 0.2395(6) 0.0309(19) Uani 1 1 d . . . . .
C37 C 0.4312(7) -0.0149(7) 0.7210(6) 0.037(2) Uani 1 1 d . . . . .
H37 H 0.4776 -0.0761 0.7634 0.045 Uiso 1 1 calc R U . . .
C38 C 0.3407(7) 0.0125(7) 0.7560(6) 0.042(2) Uani 1 1 d . . . . .
H38 H 0.3243 -0.0280 0.8238 0.050 Uiso 1 1 calc R U . . .
C7 C 0.7552(7) 0.0253(8) 0.4645(8) 0.0510(18) Uani 1 1 d . . . . .
H7 H 0.7052 0.0098 0.5146 0.061 Uiso 1 1 calc R U . C 2
C43 C 0.0788(7) 0.3741(7) 0.4819(8) 0.049(2) Uani 1 1 d . . . . .
H43 H 0.0121 0.3970 0.4989 0.059 Uiso 1 1 calc R U . . .
C19 C 0.5062(9) 0.7302(8) 0.2834(8) 0.055(3) Uani 1 1 d . . . . .
C28 C 0.2322(7) 0.7787(7) 0.0242(7) 0.049(3) Uani 1 1 d . . . . .
C45 C 0.2127(7) 0.3906(8) 0.3668(7) 0.047(2) Uani 1 1 d . . . . .
H45 H 0.2376 0.4282 0.3018 0.056 Uiso 1 1 calc R U . . .
C18 C 0.5813(8) 0.6460(8) 0.3364(7) 0.048(3) Uani 1 1 d . . . . .
C20 C 0.4168(8) 0.7129(8) 0.2584(7) 0.050(3) Uani 1 1 d . . . . .
C32B C 0.7211(12) 0.7733(11) 0.1144(9) 0.0428(19) Uani 0.8 1 d . . P A 2
H32B H 0.7763 0.7715 0.1522 0.051 Uiso 0.8 1 calc R U P A 2
C27 C 0.1614(8) 0.8455(8) 0.0490(7) 0.054(3) Uani 1 1 d . . . . .
C44 C 0.1126(8) 0.4297(8) 0.3888(8) 0.057(3) Uani 1 1 d . . . . .
H44 H 0.0715 0.4916 0.3404 0.068 Uiso 1 1 calc R U . . .
C33B C 0.6673(14) 0.8679(10) 0.0463(12) 0.055(4) Uani 0.8 1 d . . P A 2
H33B H 0.6851 0.9311 0.0389 0.066 Uiso 0.8 1 calc R U P A 2
C25 C 0.0732(7) 0.7069(8) 0.1321(7) 0.046(2) Uani 1 1 d . . . . .
C26 C 0.0813(7) 0.8084(8) 0.1041(7) 0.052(3) Uani 1 1 d . . . . .
C6 C 0.8518(7) -0.0381(8) 0.4855(8) 0.0510(18) Uani 1 1 d . . . . .
H6 H 0.8679 -0.0962 0.5498 0.061 Uiso 1 1 calc R U . D 2
C2S C 0.8015(11) 0.2777(11) 0.5887(11) 0.082(4) Uani 1 1 d . . . . .
N1S N 0.8502(9) 0.3110(11) 0.6229(11) 0.110(5) Uani 1 1 d . . . . .
C3 C 0.8037(7) 0.1326(8) 0.2963(8) 0.056(3) Uani 1 1 d . . . . .
H3 H 0.7871 0.1901 0.2318 0.067 Uiso 1 1 calc R U . E 2
C5 C 0.9231(8) -0.0157(10) 0.4126(10) 0.074(4) Uani 1 1 d . . . . .
H5 H 0.9891 -0.0584 0.4270 0.089 Uiso 1 1 calc R U . F 2
C4 C 0.9002(9) 0.0703(11) 0.3159(11) 0.082(4) Uani 1 1 d . . . . .
H4 H 0.9500 0.0850 0.2655 0.099 Uiso 1 1 calc R U . G 2
C3S C 0.7424(13) 0.2330(11) 0.5440(12) 0.116(6) Uani 1 1 d . . . . .
H3SA H 0.7794 0.2244 0.4880 0.174 Uiso 1 1 calc R U . . .
H3SB H 0.6768 0.2803 0.5190 0.174 Uiso 1 1 calc R U . . .
H3SC H 0.7317 0.1643 0.5953 0.174 Uiso 1 1 calc R U . . .
F31A F 0.756(2) 0.599(3) 0.179(3) 0.075(7) Uani 0.2 1 d . . P A 1
F35A F 0.480(2) 0.781(2) -0.048(2) 0.061(6) Uani 0.2 1 d . U P A 1
F34A F 0.523(2) 0.964(2) -0.077(2) 0.061(6) Uani 0.2 1 d . U P A 1
F33A F 0.683(2) 0.963(2) 0.023(2) 0.055(4) Uani 0.2 1 d . . P A 1
F32A F 0.803(2) 0.777(3) 0.149(3) 0.075(7) Uani 0.2 1 d . . P A 1
F14A F 0.3188(5) 0.0098(5) 0.2993(5) 0.0477(17) Uani 0.8 1 d . . P B 1
F13A F 0.1689(5) -0.0362(5) 0.2264(5) 0.057(2) Uani 0.8 1 d . . P B 1
F12A F 0.0384(5) 0.1197(6) 0.0813(5) 0.060(2) Uani 0.8 1 d . . P B 1
C35A C 0.552(3) 0.7718(16) 0.005(4) 0.0428(19) Uani 0.2 1 d G . P A 1
C30 C 0.6172(7) 0.6818(7) 0.0700(6) 0.036(2) Uani 1 1 d G . . . .
C31A C 0.702(2) 0.690(3) 0.112(3) 0.042(3) Uani 0.2 1 d G . P A 1
C32A C 0.722(4) 0.789(4) 0.088(4) 0.0428(19) Uani 0.2 1 d G . P A 1
C33A C 0.657(5) 0.879(2) 0.023(4) 0.055(4) Uani 0.2 1 d G . P A 1
C34A C 0.572(5) 0.8705(8) -0.019(5) 0.0428(19) Uani 0.2 1 d G . P A 1
F10A F 0.2072(5) 0.3704(5) 0.0842(5) 0.0489(17) Uani 0.8 1 d . . P B 1
F11A F 0.0589(6) 0.3232(5) 0.0108(6) 0.066(2) Uani 0.8 1 d . . P B 1
C10A C 0.2035(9) 0.2681(11) 0.1181(9) 0.039(3) Uani 0.8 1 d . . P B 1
C11A C 0.1271(9) 0.2444(16) 0.0784(9) 0.044(4) Uani 0.8 1 d . . P B 1
C12A C 0.1146(16) 0.144(2) 0.1165(19) 0.049(4) Uani 0.8 1 d . . P B 1
C13A C 0.1765(14) 0.0634(15) 0.194(2) 0.047(4) Uani 0.8 1 d . . P B 1
C14A C 0.2508(10) 0.0896(9) 0.2318(13) 0.032(3) Uani 0.8 1 d . . P B 1
N4S N 0.0172(16) 0.2849(17) 0.2791(15) 0.070(6) Uani 0.5 1 d . . P . .
C5S C -0.050(2) 0.338(2) 0.241(3) 0.093(7) Uani 0.5 1 d . . P . .
C6S C -0.1189(18) 0.4056(19) 0.173(2) 0.093(7) Uani 0.5 1 d . . P . .
H6SA H -0.0873 0.4369 0.1079 0.139 Uiso 0.5 1 calc R U P . .
H6SB H -0.1502 0.4609 0.1934 0.139 Uiso 0.5 1 calc R U P . .
H6SC H -0.1710 0.3697 0.1681 0.139 Uiso 0.5 1 calc R U P . .


_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 O1 2.284(6) . ?
Eu1 O10 2.429(5) . ?
Eu1 O9 2.535(5) . ?
Eu1 O9 2.368(5) 2_665 ?
Eu1 O5 2.407(5) . ?
Eu1 O7 2.355(6) . ?
Eu1 O8 2.374(5) 2_665 ?
Eu1 O3 2.299(5) . ?
Zn1 O5 2.225(5) . ?
Zn1 O6 2.339(6) . ?
Zn1 O4 2.049(6) . ?
Zn1 O2 1.991(6) . ?
Zn1 N1 2.086(6) . ?
Zn1 N2 2.146(7) . ?
O1 C1 1.256(9) . ?
O10 C29 1.254(9) . ?
F21 C21 1.360(10) . ?
O9 Eu1 2.368(5) 2_665 ?
O9 C29 1.274(9) . ?
O5 C15 1.281(9) . ?
O7 C22 1.240(9) . ?
F17 C17 1.338(10) . ?
O6 C15 1.248(10) . ?
O8 Eu1 2.374(5) 2_665 ?
O8 C22 1.256(9) . ?
F18 C18 1.344(11) . ?
F24 C24 1.342(10) . ?
F28 C28 1.366(10) . ?
O4 C8 1.258(9) . ?
F25 C25 1.356(10) . ?
F19 C19 1.340(10) . ?
O3 C8 1.251(9) . ?
O2 C1 1.279(9) . ?
F27 C27 1.344(11) . ?
N1 C47 1.366(10) . ?
N1 C36 1.301(10) . ?
F20 C20 1.338(11) . ?
F26 C26 1.345(10) . ?
N2 C46 1.363(10) . ?
N2 C45 1.304(11) . ?
C29 C30 1.487(11) . ?
C15 C16 1.499(11) . ?
C16 C17 1.370(12) . ?
C16 C21 1.378(13) . ?
C35B H35B 0.9500 . ?
C35B C34B 1.402(15) . ?
C35B C30 1.417(16) . ?
C2 C1 1.480(11) . ?
C2 C7 1.398(12) . ?
C2 C3 1.391(12) . ?
C39 C47 1.410(11) . ?
C39 C40 1.416(12) . ?
C39 C38 1.412(13) . ?
C31B H31B 0.9500 . ?
C31B C32B 1.376(15) . ?
C31B C30 1.392(15) . ?
C17 C18 1.361(12) . ?
C21 C20 1.368(13) . ?
C23 C22 1.514(11) . ?
C23 C24 1.381(11) . ?
C23 C28 1.380(12) . ?
C47 C46 1.440(11) . ?
C11B H11B 0.9500 . ?
C11B C12B 1.3900 . ?
C11B C10B 1.3900 . ?
C12B H12B 0.9500 . ?
C12B C13B 1.3900 . ?
C13B H13B 0.9500 . ?
C13B C14B 1.3900 . ?
C14B H14B 0.9500 . ?
C14B C9 1.3900 . ?
C9 C10B 1.3900 . ?
C9 C8 1.486(11) . ?
C9 C10A 1.403(15) . ?
C9 C14A 1.373(14) . ?
C10B H10B 0.9500 . ?
C42 C46 1.398(11) . ?
C42 C41 1.436(12) . ?
C42 C43 1.397(13) . ?
C40 H40 0.9500 . ?
C40 C41 1.352(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.393(11) . ?
C34B H34B 0.9500 . ?
C34B C33B 1.376(17) . ?
C24 C25 1.377(12) . ?
C41 H41 0.9500 . ?
C37 H37 0.9500 . ?
C37 C38 1.345(12) . ?
C38 H38 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.395(13) . ?
C43 H43 0.9500 . ?
C43 C44 1.356(13) . ?
C19 C18 1.370(15) . ?
C19 C20 1.388(15) . ?
C28 C27 1.367(12) . ?
C45 H45 0.9500 . ?
C45 C44 1.428(13) . ?
C32B H32B 0.9500 . ?
C32B C33B 1.372(18) . ?
C27 C26 1.362(13) . ?
C44 H44 0.9500 . ?
C33B H33B 0.9500 . ?
C25 C26 1.365(13) . ?
C6 H6 0.9500 . ?
C6 C5 1.369(15) . ?
C2S N1S 1.145(16) . ?
C2S C3S 1.467(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(14) . ?
C5 H5 0.9500 . ?
C5 C4 1.420(17) . ?
C4 H4 0.9500 . ?
C3S H3SA 0.9800 . ?
C3S H3SB 0.9800 . ?
C3S H3SC 0.9800 . ?
F31A C31A 1.35(5) . ?
F35A C35A 1.24(4) . ?
F34A C34A 1.29(3) . ?
F33A C33A 1.34(3) . ?
F32A C32A 1.41(4) . ?
F14A C14A 1.356(15) . ?
F13A C13A 1.325(16) . ?
F12A C12A 1.354(13) . ?
C35A C30 1.3900 . ?
C35A C34A 1.3900 . ?
C30 C31A 1.3900 . ?
C31A C32A 1.3900 . ?
C32A C33A 1.3900 . ?
C33A C34A 1.3900 . ?
F10A C10A 1.346(15) . ?
F11A C11A 1.352(16) . ?
C10A C11A 1.389(16) . ?
C11A C12A 1.349(17) . ?
C12A C13A 1.380(18) . ?
C13A C14A 1.377(15) . ?
N4S C5S 1.06(3) . ?
C5S C6S 1.30(4) . ?
C6S H6SA 0.9800 . ?
C6S H6SB 0.9800 . ?
C6S H6SC 0.9800 . ?

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
O1 Eu1 O10 87.5(2) . . ?
O1 Eu1 O9 126.33(19) . 2_665 ?
O1 Eu1 O9 133.29(19) . . ?
O1 Eu1 O5 75.60(18) . . ?
O1 Eu1 O7 147.61(18) . . ?
O1 Eu1 O8 74.03(19) . 2_665 ?
O1 Eu1 O3 83.4(2) . . ?
O10 Eu1 O9 52.31(17) . . ?
O9 Eu1 O10 123.36(17) 2_665 . ?
O9 Eu1 O9 73.77(19) 2_665 . ?
O9 Eu1 O5 146.09(18) 2_665 . ?
O9 Eu1 O8 71.53(19) 2_665 2_665 ?
O5 Eu1 O10 78.10(17) . . ?
O5 Eu1 O9 111.75(17) . . ?
O7 Eu1 O10 97.3(2) . . ?
O7 Eu1 O9 70.12(18) . . ?
O7 Eu1 O9 77.02(19) . 2_665 ?
O7 Eu1 O5 74.13(19) . . ?
O7 Eu1 O8 138.34(18) . 2_665 ?
O8 Eu1 O10 78.7(2) 2_665 . ?
O8 Eu1 O9 75.29(18) 2_665 . ?
O8 Eu1 O5 142.2(2) 2_665 . ?
O3 Eu1 O10 157.26(18) . . ?
O3 Eu1 O9 78.34(18) . 2_665 ?
O3 Eu1 O9 142.78(19) . . ?
O3 Eu1 O5 79.47(18) . . ?
O3 Eu1 O7 80.1(2) . . ?
O3 Eu1 O8 118.3(2) . 2_665 ?
O5 Zn1 O6 58.05(19) . . ?
O4 Zn1 O5 105.5(2) . . ?
O4 Zn1 O6 162.4(2) . . ?
O4 Zn1 N1 100.9(2) . . ?
O4 Zn1 N2 87.4(3) . . ?
O2 Zn1 O5 96.8(2) . . ?
O2 Zn1 O6 90.7(2) . . ?
O2 Zn1 O4 98.0(2) . . ?
O2 Zn1 N1 93.0(2) . . ?
O2 Zn1 N2 171.5(2) . . ?
N1 Zn1 O5 150.2(2) . . ?
N1 Zn1 O6 93.9(2) . . ?
N1 Zn1 N2 79.4(3) . . ?
N2 Zn1 O5 88.0(2) . . ?
N2 Zn1 O6 85.9(2) . . ?
C1 O1 Eu1 153.9(5) . . ?
C29 O10 Eu1 96.3(5) . . ?
Eu1 O9 Eu1 106.23(19) 2_665 . ?
C29 O9 Eu1 157.7(5) . 2_665 ?
C29 O9 Eu1 90.8(4) . . ?
Zn1 O5 Eu1 113.8(2) . . ?
C15 O5 Eu1 140.4(5) . . ?
C15 O5 Zn1 91.8(5) . . ?
C22 O7 Eu1 136.4(5) . . ?
C15 O6 Zn1 87.5(5) . . ?
C22 O8 Eu1 134.8(5) . 2_665 ?
C8 O4 Zn1 123.7(5) . . ?
C8 O3 Eu1 153.0(5) . . ?
C1 O2 Zn1 127.3(5) . . ?
C47 N1 Zn1 113.6(5) . . ?
C36 N1 Zn1 127.9(5) . . ?
C36 N1 C47 118.5(7) . . ?
C46 N2 Zn1 111.8(6) . . ?
C45 N2 Zn1 129.9(6) . . ?
C45 N2 C46 118.3(7) . . ?
O10 C29 O9 120.1(7) . . ?
O10 C29 C30 120.2(7) . . ?
O9 C29 C30 119.6(7) . . ?
O5 C15 C16 118.1(7) . . ?
O6 C15 O5 122.4(8) . . ?
O6 C15 C16 119.5(7) . . ?
C17 C16 C15 122.1(9) . . ?
C17 C16 C21 115.7(8) . . ?
C21 C16 C15 122.3(8) . . ?
C34B C35B H35B 119.8 . . ?
C34B C35B C30 120.4(11) . . ?
C30 C35B H35B 119.8 . . ?
C7 C2 C1 120.7(8) . . ?
C3 C2 C1 119.8(8) . . ?
C3 C2 C7 119.5(9) . . ?
C47 C39 C40 118.7(9) . . ?
C47 C39 C38 116.0(8) . . ?
C38 C39 C40 125.3(8) . . ?
C32B C31B H31B 119.4 . . ?
C32B C31B C30 121.1(12) . . ?
C30 C31B H31B 119.4 . . ?
F17 C17 C16 119.4(8) . . ?
F17 C17 C18 117.3(9) . . ?
C18 C17 C16 123.3(9) . . ?
O1 C1 O2 123.4(8) . . ?
O1 C1 C2 118.9(7) . . ?
O2 C1 C2 117.6(7) . . ?
F21 C21 C16 118.5(8) . . ?
F21 C21 C20 118.1(9) . . ?
C20 C21 C16 123.4(9) . . ?
C24 C23 C22 123.1(8) . . ?
C28 C23 C22 121.6(7) . . ?
C28 C23 C24 115.1(8) . . ?
N1 C47 C39 122.7(8) . . ?
N1 C47 C46 117.6(7) . . ?
C39 C47 C46 119.6(7) . . ?
C12B C11B H11B 120.0 . . ?
C12B C11B C10B 120.0 . . ?
C10B C11B H11B 120.0 . . ?
C11B C12B H12B 120.0 . . ?
C13B C12B C11B 120.0 . . ?
C13B C12B H12B 120.0 . . ?
C12B C13B H13B 120.0 . . ?
C12B C13B C14B 120.0 . . ?
C14B C13B H13B 120.0 . . ?
C13B C14B H14B 120.0 . . ?
C13B C14B C9 120.0 . . ?
C9 C14B H14B 120.0 . . ?
C14B C9 C10B 120.0 . . ?
C14B C9 C8 119(2) . . ?
C10B C9 C8 121(2) . . ?
C10A C9 C8 119.8(9) . . ?
C14A C9 C8 124.6(10) . . ?
C14A C9 C10A 115.6(10) . . ?
C11B C10B H10B 120.0 . . ?
C9 C10B C11B 120.0 . . ?
C9 C10B H10B 120.0 . . ?
C46 C42 C41 118.8(9) . . ?
C43 C42 C46 117.2(8) . . ?
C43 C42 C41 124.0(8) . . ?
O7 C22 O8 128.0(8) . . ?
O7 C22 C23 116.5(7) . . ?
O8 C22 C23 115.5(7) . . ?
C39 C40 H40 119.0 . . ?
C41 C40 C39 122.0(8) . . ?
C41 C40 H40 119.0 . . ?
N1 C36 H36 118.7 . . ?
N1 C36 C37 122.7(8) . . ?
C37 C36 H36 118.7 . . ?
N2 C46 C47 117.5(7) . . ?
N2 C46 C42 122.4(8) . . ?
C42 C46 C47 120.0(7) . . ?
C35B C34B H34B 120.7 . . ?
C33B C34B C35B 118.5(12) . . ?
C33B C34B H34B 120.7 . . ?
F24 C24 C23 119.6(8) . . ?
F24 C24 C25 118.9(8) . . ?
C25 C24 C23 121.5(9) . . ?
C42 C41 H41 119.6 . . ?
C40 C41 C42 120.8(8) . . ?
C40 C41 H41 119.6 . . ?
O4 C8 C9 116.8(7) . . ?
O3 C8 O4 125.0(8) . . ?
O3 C8 C9 118.2(7) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0(8) . . ?
C38 C37 H37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C37 C38 C39 120.0(8) . . ?
C37 C38 H38 120.0 . . ?
C2 C7 H7 119.7 . . ?
C6 C7 C2 120.7(10) . . ?
C6 C7 H7 119.7 . . ?
C42 C43 H43 119.3 . . ?
C44 C43 C42 121.4(9) . . ?
C44 C43 H43 119.3 . . ?
F19 C19 C18 121.2(10) . . ?
F19 C19 C20 119.4(11) . . ?
C18 C19 C20 119.4(9) . . ?
F28 C28 C23 119.4(8) . . ?
F28 C28 C27 116.0(9) . . ?
C27 C28 C23 124.5(8) . . ?
N2 C45 H45 118.1 . . ?
N2 C45 C44 123.8(9) . . ?
C44 C45 H45 118.1 . . ?
F18 C18 C17 121.2(10) . . ?
F18 C18 C19 119.1(9) . . ?
C17 C18 C19 119.6(9) . . ?
F20 C20 C21 121.2(10) . . ?
F20 C20 C19 120.2(9) . . ?
C21 C20 C19 118.6(10) . . ?
C31B C32B H32B 120.1 . . ?
C33B C32B C31B 119.7(12) . . ?
C33B C32B H32B 120.1 . . ?
F27 C27 C28 121.9(9) . . ?
F27 C27 C26 119.6(9) . . ?
C26 C27 C28 118.4(10) . . ?
C43 C44 C45 116.8(10) . . ?
C43 C44 H44 121.6 . . ?
C45 C44 H44 121.6 . . ?
C34B C33B H33B 119.0 . . ?
C32B C33B C34B 122.0(11) . . ?
C32B C33B H33B 119.0 . . ?
F25 C25 C24 118.9(9) . . ?
F25 C25 C26 120.3(8) . . ?
C26 C25 C24 120.8(8) . . ?
F26 C26 C27 120.2(10) . . ?
F26 C26 C25 120.1(9) . . ?
C27 C26 C25 119.7(9) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 C7 119.3(10) . . ?
C5 C6 H6 120.3 . . ?
N1S C2S C3S 178.0(16) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(10) . . ?
C4 C3 H3 119.7 . . ?
C6 C5 H5 119.4 . . ?
C6 C5 C4 121.2(10) . . ?
C4 C5 H5 119.4 . . ?
C3 C4 C5 118.7(11) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C2S C3S H3SA 109.5 . . ?
C2S C3S H3SB 109.5 . . ?
C2S C3S H3SC 109.5 . . ?
H3SA C3S H3SB 109.5 . . ?
H3SA C3S H3SC 109.5 . . ?
H3SB C3S H3SC 109.5 . . ?
F35A C35A C30 130(3) . . ?
F35A C35A C34A 109(3) . . ?
C30 C35A C34A 120.0 . . ?
C35B C30 C29 121.5(9) . . ?
C31B C30 C29 120.1(10) . . ?
C31B C30 C35B 118.1(10) . . ?
C35A C30 C29 114.5(14) . . ?
C35A C30 C31A 120.0 . . ?
C31A C30 C29 125.5(14) . . ?
F31A C31A C30 115(2) . . ?
F31A C31A C32A 125(2) . . ?
C32A C31A C30 120.0 . . ?
C31A C32A F32A 109(3) . . ?
C33A C32A F32A 131(3) . . ?
C33A C32A C31A 120.0 . . ?
F33A C33A C32A 109(4) . . ?
F33A C33A C34A 131(4) . . ?
C32A C33A C34A 120.0 . . ?
F34A C34A C35A 131(4) . . ?
F34A C34A C33A 109(4) . . ?
C33A C34A C35A 120.0 . . ?
F10A C10A C9 120.9(12) . . ?
F10A C10A C11A 117.3(12) . . ?
C11A C10A C9 121.5(11) . . ?
F11A C11A C10A 119.6(15) . . ?
C12A C11A F11A 120.5(15) . . ?
C12A C11A C10A 119.5(12) . . ?
F12A C12A C13A 117.8(17) . . ?
C11A C12A F12A 120.4(18) . . ?
C11A C12A C13A 121.7(11) . . ?
F13A C13A C12A 121.9(16) . . ?
F13A C13A C14A 120.7(16) . . ?
C14A C13A C12A 117.4(11) . . ?
C9 C14A C13A 124.3(11) . . ?
F14A C14A C9 117.7(11) . . ?
F14A C14A C13A 117.5(12) . . ?
N4S C5S C6S 165(4) . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 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
Eu1 O1 C1 O2 8.6(19) . . . . ?
Eu1 O1 C1 C2 -172.6(9) . . . . ?
Eu1 O10 C29 O9 -7.4(8) . . . . ?
Eu1 O10 C29 C30 169.5(6) . . . . ?
Eu1 O9 C29 O10 -133.5(11) 2_665 . . . ?
Eu1 O9 C29 O10 7.0(7) . . . . ?
Eu1 O9 C29 C30 49.6(17) 2_665 . . . ?
Eu1 O9 C29 C30 -169.9(6) . . . . ?
Eu1 O5 C15 O6 -126.7(7) . . . . ?
Eu1 O5 C15 C16 55.1(12) . . . . ?
Eu1 O7 C22 O8 18.8(15) . . . . ?
Eu1 O7 C22 C23 -159.0(6) . . . . ?
Eu1 O8 C22 O7 -22.1(15) 2_665 . . . ?
Eu1 O8 C22 C23 155.7(6) 2_665 . . . ?
Eu1 O3 C8 O4 -8.1(19) . . . . ?
Eu1 O3 C8 C9 172.1(9) . . . . ?
Zn1 O5 C15 O6 5.6(8) . . . . ?
Zn1 O5 C15 C16 -172.7(7) . . . . ?
Zn1 O6 C15 O5 -5.3(8) . . . . ?
Zn1 O6 C15 C16 172.9(7) . . . . ?
Zn1 O4 C8 O3 22.6(12) . . . . ?
Zn1 O4 C8 C9 -157.5(5) . . . . ?
Zn1 O2 C1 O1 -1.3(12) . . . . ?
Zn1 O2 C1 C2 179.9(5) . . . . ?
Zn1 N1 C47 C39 -179.6(6) . . . . ?
Zn1 N1 C47 C46 2.7(9) . . . . ?
Zn1 N1 C36 C37 178.3(6) . . . . ?
Zn1 N2 C46 C47 2.2(9) . . . . ?
Zn1 N2 C46 C42 179.2(6) . . . . ?
Zn1 N2 C45 C44 179.4(7) . . . . ?
O10 C29 C30 C35B -153.6(11) . . . . ?
O10 C29 C30 C31B 21.1(13) . . . . ?
O10 C29 C30 C35A -150(3) . . . . ?
O10 C29 C30 C31A 31(3) . . . . ?
F21 C21 C20 F20 -0.5(13) . . . . ?
F21 C21 C20 C19 178.1(8) . . . . ?
O9 C29 C30 C35B 23.2(14) . . . . ?
O9 C29 C30 C31B -162.0(10) . . . . ?
O9 C29 C30 C35A 27(3) . . . . ?
O9 C29 C30 C31A -152(3) . . . . ?
O5 C15 C16 C17 -124.5(9) . . . . ?
O5 C15 C16 C21 55.3(11) . . . . ?
F17 C17 C18 F18 0.5(13) . . . . ?
F17 C17 C18 C19 178.4(8) . . . . ?
O6 C15 C16 C17 57.2(11) . . . . ?
O6 C15 C16 C21 -123.0(9) . . . . ?
F24 C24 C25 F25 1.9(14) . . . . ?
F24 C24 C25 C26 -178.9(9) . . . . ?
F28 C28 C27 F27 3.3(16) . . . . ?
F28 C28 C27 C26 -176.3(9) . . . . ?
F25 C25 C26 F26 -1.2(15) . . . . ?
F25 C25 C26 C27 -178.9(9) . . . . ?
F19 C19 C18 F18 -2.1(14) . . . . ?
F19 C19 C18 C17 180.0(8) . . . . ?
F19 C19 C20 F20 -1.1(14) . . . . ?
F19 C19 C20 C21 -179.8(8) . . . . ?
F27 C27 C26 F26 2.0(16) . . . . ?
F27 C27 C26 C25 179.8(9) . . . . ?
N1 C47 C46 N2 -3.4(11) . . . . ?
N1 C47 C46 C42 179.6(7) . . . . ?
N1 C36 C37 C38 -0.2(14) . . . . ?
N2 C45 C44 C43 -0.4(16) . . . . ?
C29 C30 C31A F31A -5(5) . . . . ?
C29 C30 C31A C32A 179.3(17) . . . . ?
C15 C16 C17 F17 1.0(12) . . . . ?
C15 C16 C17 C18 179.1(8) . . . . ?
C15 C16 C21 F21 2.3(12) . . . . ?
C15 C16 C21 C20 -178.9(8) . . . . ?
C16 C17 C18 F18 -177.7(8) . . . . ?
C16 C17 C18 C19 0.2(14) . . . . ?
C16 C21 C20 F20 -179.3(8) . . . . ?
C16 C21 C20 C19 -0.6(14) . . . . ?
C35B C34B C33B C32B 0.4(17) . . . . ?
C2 C7 C6 C5 -0.5(15) . . . . ?
C2 C3 C4 C5 0.5(19) . . . . ?
C39 C47 C46 N2 178.9(8) . . . . ?
C39 C47 C46 C42 1.8(12) . . . . ?
C39 C40 C41 C42 -0.8(15) . . . . ?
C31B C32B C33B C34B -1.5(18) . . . . ?
C17 C16 C21 F21 -177.8(7) . . . . ?
C17 C16 C21 C20 0.9(13) . . . . ?
C1 C2 C7 C6 -179.8(8) . . . . ?
C1 C2 C3 C4 179.9(10) . . . . ?
C21 C16 C17 F17 -178.9(7) . . . . ?
C21 C16 C17 C18 -0.7(12) . . . . ?
C23 C24 C25 F25 179.2(8) . . . . ?
C23 C24 C25 C26 -1.6(15) . . . . ?
C23 C28 C27 F27 178.6(10) . . . . ?
C23 C28 C27 C26 -0.9(17) . . . . ?
C47 N1 C36 C37 -0.7(12) . . . . ?
C47 C39 C40 C41 1.4(14) . . . . ?
C47 C39 C38 C37 -3.2(13) . . . . ?
C11B C12B C13B C14B 0.0 . . . . ?
C12B C11B C10B C9 0.0 . . . . ?
C12B C13B C14B C9 0.0 . . . . ?
C13B C14B C9 C10B 0.0 . . . . ?
C13B C14B C9 C8 176(2) . . . . ?
C14B C9 C10B C11B 0.0 . . . . ?
C14B C9 C8 O4 -53(3) . . . . ?
C14B C9 C8 O3 127(3) . . . . ?
C9 C10A C11A F11A 172.2(10) . . . . ?
C9 C10A C11A C12A -0.1(18) . . . . ?
C10B C11B C12B C13B 0.0 . . . . ?
C10B C9 C8 O4 123(2) . . . . ?
C10B C9 C8 O3 -57(2) . . . . ?
C42 C43 C44 C45 1.1(16) . . . . ?
C22 C23 C24 F24 -7.4(13) . . . . ?
C22 C23 C24 C25 175.4(8) . . . . ?
C22 C23 C28 F28 1.1(14) . . . . ?
C22 C23 C28 C27 -174.2(10) . . . . ?
C40 C39 C47 N1 -179.5(8) . . . . ?
C40 C39 C47 C46 -1.9(12) . . . . ?
C40 C39 C38 C37 178.8(9) . . . . ?
C36 N1 C47 C39 -0.5(12) . . . . ?
C36 N1 C47 C46 -178.2(7) . . . . ?
C36 C37 C38 C39 2.2(13) . . . . ?
C46 N2 C45 C44 0.9(14) . . . . ?
C46 C42 C41 C40 0.6(14) . . . . ?
C46 C42 C43 C44 -2.2(15) . . . . ?
C34B C35B C30 C29 176.9(9) . . . . ?
C34B C35B C30 C31B 2.0(15) . . . . ?
C24 C23 C22 O7 -49.9(12) . . . . ?
C24 C23 C22 O8 132.1(9) . . . . ?
C24 C23 C28 F28 176.4(9) . . . . ?
C24 C23 C28 C27 1.2(15) . . . . ?
C24 C25 C26 F26 179.6(9) . . . . ?
C24 C25 C26 C27 1.9(16) . . . . ?
C41 C42 C46 N2 -178.0(8) . . . . ?
C41 C42 C46 C47 -1.1(13) . . . . ?
C41 C42 C43 C44 178.6(10) . . . . ?
C8 C9 C10B C11B -176(2) . . . . ?
C8 C9 C10A F10A -4.3(14) . . . . ?
C8 C9 C10A C11A -178.1(9) . . . . ?
C8 C9 C14A F14A -9.8(17) . . . . ?
C8 C9 C14A C13A 178.7(11) . . . . ?
C38 C39 C47 N1 2.3(12) . . . . ?
C38 C39 C47 C46 -180.0(7) . . . . ?
C38 C39 C40 C41 179.3(9) . . . . ?
C7 C2 C1 O1 -175.7(8) . . . . ?
C7 C2 C1 O2 3.1(12) . . . . ?
C7 C2 C3 C4 -1.5(16) . . . . ?
C7 C6 C5 C4 -0.5(18) . . . . ?
C43 C42 C46 N2 2.7(13) . . . . ?
C43 C42 C46 C47 179.6(8) . . . . ?
C43 C42 C41 C40 179.8(9) . . . . ?
C28 C23 C22 O7 125.1(10) . . . . ?
C28 C23 C22 O8 -52.9(12) . . . . ?
C28 C23 C24 F24 177.3(8) . . . . ?
C28 C23 C24 C25 0.1(14) . . . . ?
C28 C27 C26 F26 -178.4(9) . . . . ?
C28 C27 C26 C25 -0.6(16) . . . . ?
C45 N2 C46 C47 -179.1(8) . . . . ?
C45 N2 C46 C42 -2.0(13) . . . . ?
C18 C19 C20 F20 178.7(9) . . . . ?
C18 C19 C20 C21 0.0(14) . . . . ?
C20 C19 C18 F18 178.1(8) . . . . ?
C20 C19 C18 C17 0.2(14) . . . . ?
C32B C31B C30 C29 -178.0(9) . . . . ?
C32B C31B C30 C35B -3.1(16) . . . . ?
C6 C5 C4 C3 1(2) . . . . ?
C3 C2 C1 O1 3.0(13) . . . . ?
C3 C2 C1 O2 -178.2(8) . . . . ?
C3 C2 C7 C6 1.5(14) . . . . ?
F31A C31A C32A F32A -3(4) . . . . ?
F31A C31A C32A C33A -175(5) . . . . ?
F35A C35A C30 C29 -8(7) . . . . ?
F35A C35A C30 C31A 171(6) . . . . ?
F35A C35A C34A F34A 6(4) . . . . ?
F35A C35A C34A C33A -173(5) . . . . ?
F33A C33A C34A F34A 11(5) . . . . ?
F33A C33A C34A C35A -169(5) . . . . ?
F32A C32A C33A F33A 1(6) . . . . ?
F32A C32A C33A C34A -170(6) . . . . ?
F13A C13A C14A C9 175.4(18) . . . . ?
F13A C13A C14A F14A 4(2) . . . . ?
F12A C12A C13A F13A 6(2) . . . . ?
F12A C12A C13A C14A -177.2(19) . . . . ?
C35A C30 C31A F31A 176(5) . . . . ?
C35A C30 C31A C32A 0.0 . . . . ?
C30 C35B C34B C33B -0.7(16) . . . . ?
C30 C31B C32B C33B 2.9(17) . . . . ?
C30 C35A C34A F34A 180(8) . . . . ?
C30 C35A C34A C33A 0.0 . . . . ?
C30 C31A C32A F32A 172(5) . . . . ?
C30 C31A C32A C33A 0.0 . . . . ?
C31A C32A C33A F33A 171(4) . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C32A C33A C34A F34A -180(6) . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
C34A C35A C30 C29 -179.4(15) . . . . ?
C34A C35A C30 C31A 0.0 . . . . ?
F10A C10A C11A F11A -1.8(16) . . . . ?
F10A C10A C11A C12A -174.0(14) . . . . ?
F11A C11A C12A F12A 6(3) . . . . ?
F11A C11A C12A C13A -172.8(15) . . . . ?
C10A C9 C8 O4 138.8(9) . . . . ?
C10A C9 C8 O3 -41.4(12) . . . . ?
C10A C9 C14A F14A 172.1(11) . . . . ?
C10A C9 C14A C13A 0.6(15) . . . . ?
C10A C11A C12A F12A 177.8(17) . . . . ?
C10A C11A C12A C13A -1(2) . . . . ?
C11A C12A C13A F13A -175(2) . . . . ?
C11A C12A C13A C14A 1.2(19) . . . . ?
C12A C13A C14A C9 -1.2(17) . . . . ?
C12A C13A C14A F14A -172.7(13) . . . . ?
C14A C9 C8 O4 -39.2(13) . . . . ?
C14A C9 C8 O3 140.6(10) . . . . ?
C14A C9 C10A F10A 173.8(11) . . . . ?
C14A C9 C10A C11A 0.1(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_10
_database_code_depnum_ccdc_archive 'CCDC 2343087'
loop_
_audit_author_name
_audit_author_address
'Maksim shmelev'
;kurnakov institute of general and inorganic chemistry
Russia
;
_audit_update_record             
;
2024-03-25 deposited with the CCDC.	2025-03-03 downloaded from the CCDC.
;
_audit_creation_date             2024-03-21
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H42 F24 N4 O20 Tb2 Zn2'
_chemical_formula_sum            'C94 H42 F24 N4 O20 Tb2 Zn2'
_chemical_formula_weight         2451.89
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2636(10)
_cell_length_b                   14.6822(9)
_cell_length_c                   14.8804(10)
_cell_angle_alpha                63.435(2)
_cell_angle_beta                 84.216(2)
_cell_angle_gamma                63.913(2)
_cell_volume                     2485.4(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    6679
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.754
_shelx_estimated_absorpt_T_min   0.691
_exptl_absorpt_coefficient_mu    1.995
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0975 before and 0.0418 after correction.
The Ratio of minimum to maximum transmission is 0.7427.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0597
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18052
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.150
_diffrn_reflns_theta_min         2.701
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8115
_reflns_number_total             9729
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         1.015
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         9729
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0385
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0474P)²+1.3080P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1000
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C15B) = Uanis(C17B)
Uanis(C16A) = Uanis(C18B)
Uanis(C19B) = Uanis(C14)
Uanis(C40B) = Uanis(C37B)
Uanis(C15B) = Uanis(C15A)
Uanis(C36B) = Uanis(C36A)
Uanis(C37B) = Uanis(C37A)
Uanis(C38B) = Uanis(C38A)
Uanis(C39B) = Uanis(C39A)
Uanis(C40B) = Uanis(C40A)
Uanis(C16A) = Uanis(C16B)
3. Others
 Fixed Sof: F40A(0.7) F36A(0.7) F37A(0.7) C36B(0.3) H36B(0.3) C37B(0.3)
 H37B(0.3) C38B(0.3) H38B(0.3) C39B(0.3) H39B(0.3) C40B(0.3) H40B(0.3)
 F38A(0.7) F15B(0.7) F39A(0.7) F19B(0.7) C15B(0.3) H15B(0.3) C16A(0.3)
 H16A(0.3) C17B(0.3) H17B(0.3) C18B(0.3) H18B(0.3) C19B(0.3) H19B(0.3)
 F18B(0.7) F17B(0.7) F16B(0.7) C36A(0.7) C40A(0.7) C39A(0.7) C38A(0.7)
 C37A(0.7) C15A(0.7) C19A(0.7) C16B(0.7) C18A(0.7) C17A(0.7)
4.a Aromatic/amide H refined with riding coordinates:
 C36B(H36B), C37B(H37B), C38B(H38B), C39B(H39B), C40B(H40B), C8(H8), C10(H10),
 C12(H12), C11(H11), C9(H9), C22(H22), C29(H29), C1(H1), C15B(H15B), C16A(H16A),
  C17B(H17B), C18B(H18B), C19B(H19B), C25(H25), C33(H33), C24(H24), C2(H2),
 C3(H3), C26(H26), C32(H32), C23(H23), C31(H31), C30(H30)
4.b Fitted hexagon refined as free rotating group:
 C35(C36B,C37B,C38B,C39B,C40B), C15B(C16A,C17B,C18B,C19B,C14)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.53656(2) 0.35110(2) 0.61866(2) 0.01760(7) Uani 1 1 d . . . . .
Zn1 Zn 0.65598(4) 0.09162(4) 0.87984(4) 0.01953(12) Uani 1 1 d . . . . .
O10 O 0.3609(2) 0.5645(2) 0.3647(2) 0.0213(7) Uani 1 1 d . . . . .
O9 O 0.4102(2) 0.3916(2) 0.4972(2) 0.0214(7) Uani 1 1 d . . . . .
O4 O 0.6907(2) 0.1953(2) 0.7310(2) 0.0222(7) Uani 1 1 d . . . . .
O3 O 0.7918(3) 0.0114(3) 0.8018(2) 0.0279(7) Uani 1 1 d . . . . .
O7 O 0.4121(2) 0.5459(2) 0.5562(2) 0.0186(6) Uani 1 1 d . . . . .
O8 O 0.3579(2) 0.7303(2) 0.4898(2) 0.0230(7) Uani 1 1 d . . . . .
O1 O 0.5472(2) 0.2091(2) 0.9228(2) 0.0253(7) Uani 1 1 d . . . . .
O6 O 0.4906(3) 0.2042(3) 0.6876(2) 0.0336(8) Uani 1 1 d . . . . .
N1 N 0.7057(3) -0.0586(3) 1.0170(3) 0.0195(8) Uani 1 1 d . . . . .
O2 O 0.4920(3) 0.3567(3) 0.7695(2) 0.0300(8) Uani 1 1 d . . . . .
F43 F 0.2711(3) 0.5455(3) 0.2178(2) 0.0484(8) Uani 1 1 d . . . . .
F47 F 0.2188(3) 0.4029(3) 0.5635(2) 0.0499(8) Uani 1 1 d . . . . .
F46 F 0.0535(3) 0.3862(3) 0.5184(3) 0.0698(11) Uani 1 1 d . . . . .
O5 O 0.5559(2) 0.0511(2) 0.8363(2) 0.0242(7) Uani 1 1 d . . . . .
N2 N 0.7756(3) 0.1022(3) 0.9495(3) 0.0238(8) Uani 1 1 d . . . . .
F40A F 0.2718(3) 0.4831(3) 0.6706(3) 0.0354(10) Uani 0.7 1 d . . P A 1
C6 C 0.7859(3) -0.0768(4) 1.0749(3) 0.0209(9) Uani 1 1 d . . . . .
F45 F -0.0095(3) 0.4541(4) 0.3249(3) 0.0843(14) Uani 1 1 d . . . . .
C7 C 0.8327(4) -0.1764(4) 1.1680(3) 0.0275(11) Uani 1 1 d . . . . .
C34 C 0.3584(3) 0.6411(4) 0.5573(3) 0.0187(9) Uani 1 1 d . . . . .
C5 C 0.8224(3) 0.0090(4) 1.0405(3) 0.0229(10) Uani 1 1 d . . . . .
C41 C 0.3509(3) 0.4761(4) 0.4202(3) 0.0198(9) Uani 1 1 d . . . . .
F36A F 0.2892(4) 0.8170(4) 0.6220(3) 0.0445(11) Uani 0.7 1 d . . P A 1
C20 C 0.7732(3) 0.1087(4) 0.7340(3) 0.0222(9) Uani 1 1 d . . . . .
F44 F 0.0990(3) 0.5359(4) 0.1740(3) 0.0841(14) Uani 1 1 d . . . . .
F37A F 0.1722(4) 0.8243(4) 0.7714(4) 0.0604(15) Uani 0.7 1 d . . P A 1
C35 C 0.2872(3) 0.6469(4) 0.6392(3) 0.0244(10) Uani 1 1 d G . . . .
C36B C 0.2412(12) 0.7440(8) 0.6536(12) 0.0285(16) Uani 0.3 1 d G . P B 2
H36B H 0.2603 0.8041 0.6172 0.034 Uiso 0.3 1 calc R U P B 2
C37B C 0.1671(10) 0.7531(13) 0.7214(11) 0.0274(9) Uani 0.3 1 d G . P B 2
H37B H 0.1357 0.8195 0.7313 0.033 Uiso 0.3 1 calc R U P B 2
C38B C 0.1391(13) 0.6651(18) 0.7747(13) 0.032(2) Uani 0.3 1 d G . P B 2
H38B H 0.0885 0.6713 0.8211 0.039 Uiso 0.3 1 calc R U P B 2
C39B C 0.185(2) 0.5680(18) 0.760(2) 0.0327(18) Uani 0.3 1 d G . P B 2
H39B H 0.1659 0.5079 0.7967 0.039 Uiso 0.3 1 calc R U P B 2
C40B C 0.2591(17) 0.5589(11) 0.6925(15) 0.0274(9) Uani 0.3 1 d G . P B 2
H40B H 0.2906 0.4926 0.6826 0.033 Uiso 0.3 1 calc R U P B 2
C8 C 0.9154(4) -0.1866(5) 1.2256(4) 0.0343(12) Uani 1 1 d . . . . .
H8 H 0.9484 -0.2532 1.2874 0.041 Uiso 1 1 calc R U . . .
F38A F 0.1037(4) 0.6639(4) 0.8713(4) 0.0599(14) Uani 0.7 1 d . . P A 1
F15B F 0.5049(4) 0.5257(4) 0.7841(4) 0.0513(12) Uani 0.7 1 d . . P C 2
C42 C 0.2541(4) 0.4709(4) 0.3918(3) 0.0247(10) Uani 1 1 d . . . . .
F39A F 0.1570(4) 0.4926(4) 0.8205(3) 0.0462(11) Uani 0.7 1 d . . P A 1
C10 C 0.7925(4) -0.2571(4) 1.1975(3) 0.0286(11) Uani 1 1 d . . . . .
H10 H 0.8230 -0.3261 1.2581 0.034 Uiso 1 1 calc R U . . .
C13 C 0.5011(3) 0.3120(4) 0.8644(3) 0.0201(9) Uani 1 1 d . . . . .
C12 C 0.6693(4) -0.1357(4) 1.0495(3) 0.0230(10) Uani 1 1 d . . . . .
H12 H 0.6122 -0.1220 1.0097 0.028 Uiso 1 1 calc R U . . .
C21 C 0.8504(3) 0.1254(4) 0.6610(3) 0.0237(10) Uani 1 1 d . . . . .
F19B F 0.3820(4) 0.2760(4) 1.0311(3) 0.0481(12) Uani 0.7 1 d . . P C 2
C11 C 0.7119(4) -0.2370(4) 1.1407(3) 0.0271(10) Uani 1 1 d . . . . .
H11 H 0.6838 -0.2903 1.1615 0.033 Uiso 1 1 calc R U . . .
C28 C 0.4243(3) 0.0705(4) 0.7349(3) 0.0210(9) Uani 1 1 d . . . . .
C9 C 0.9467(4) -0.1056(5) 1.1946(4) 0.0342(12) Uani 1 1 d . . . . .
H9 H 1.0005 -0.1151 1.2356 0.041 Uiso 1 1 calc R U . . .
C43 C 0.2187(4) 0.5062(4) 0.2949(4) 0.0327(11) Uani 1 1 d . . . . .
C22 C 0.9283(4) 0.0337(5) 0.6495(4) 0.0388(13) Uani 1 1 d . . . . .
H22 H 0.9312 -0.0398 0.6858 0.047 Uiso 1 1 calc R U . . .
C27 C 0.4957(3) 0.1112(3) 0.7552(3) 0.0207(9) Uani 1 1 d . . . . .
C4 C 0.9013(4) -0.0037(4) 1.1007(4) 0.0285(11) Uani 1 1 d . . . . .
C29 C 0.3601(4) 0.1324(4) 0.6436(4) 0.0282(10) Uani 1 1 d . . . . .
H29 H 0.3631 0.1995 0.5936 0.034 Uiso 1 1 calc R U . . .
C1 C 0.8056(4) 0.1828(4) 0.9179(4) 0.0279(10) Uani 1 1 d . . . . .
H1 H 0.7734 0.2475 0.8546 0.033 Uiso 1 1 calc R U . . .
C15B C 0.4446(19) 0.5023(9) 0.8633(12) 0.0317(12) Uani 0.3 1 d G . P D 1
H15B H 0.4711 0.5278 0.8002 0.038 Uiso 0.3 1 calc R U P D 1
C16A C 0.401(3) 0.5728(12) 0.9100(18) 0.0444(16) Uani 0.3 1 d G . P D 1
H16A H 0.3984 0.6465 0.8789 0.053 Uiso 0.3 1 calc R U P D 1
C17B C 0.3626(18) 0.5355(14) 1.0023(14) 0.0317(12) Uani 0.3 1 d G . P D 1
H17B H 0.3331 0.5837 1.0343 0.038 Uiso 0.3 1 calc R U P D 1
C18B C 0.3670(15) 0.4277(15) 1.0478(9) 0.0444(16) Uani 0.3 1 d G . P D 1
H18B H 0.3404 0.4022 1.1109 0.053 Uiso 0.3 1 calc R U P D 1
C19B C 0.4101(15) 0.3572(10) 1.0011(8) 0.0260(10) Uani 0.3 1 d G . P D 1
H19B H 0.4131 0.2835 1.0322 0.031 Uiso 0.3 1 calc R U P D 1
C14 C 0.4489(4) 0.3945(4) 0.9088(3) 0.0260(10) Uani 1 1 d G . . . .
C25 C 0.9208(4) 0.2476(6) 0.5410(4) 0.0451(15) Uani 1 1 d . . . . .
H25 H 0.9168 0.3214 0.5030 0.054 Uiso 1 1 calc R U . . .
C33 C 0.4207(4) -0.0287(4) 0.8078(4) 0.0268(10) Uani 1 1 d . . . . .
H33 H 0.4653 -0.0725 0.8701 0.032 Uiso 1 1 calc R U . . .
F18B F 0.2808(4) 0.4302(4) 1.0998(4) 0.0646(15) Uani 0.7 1 d . . P C 2
C24 C 0.9984(5) 0.1592(6) 0.5287(4) 0.0513(17) Uani 1 1 d . . . . .
H24 H 1.0488 0.1708 0.4836 0.062 Uiso 1 1 calc R U . . .
C47 C 0.1953(4) 0.4315(4) 0.4666(4) 0.0332(12) Uani 1 1 d . . . . .
C2 C 0.8833(4) 0.1779(5) 0.9732(4) 0.0338(12) Uani 1 1 d . . . . .
H2 H 0.9026 0.2385 0.9480 0.041 Uiso 1 1 calc R U . . .
C3 C 0.9311(4) 0.0841(5) 1.0646(4) 0.0341(12) Uani 1 1 d . . . . .
H3 H 0.9841 0.0791 1.1029 0.041 Uiso 1 1 calc R U . . .
C26 C 0.8471(4) 0.2329(5) 0.6077(4) 0.0343(12) Uani 1 1 d . . . . .
H26 H 0.7951 0.2953 0.6169 0.041 Uiso 1 1 calc R U . . .
C32 C 0.3515(4) -0.0635(4) 0.7891(5) 0.0380(13) Uani 1 1 d . . . . .
H32 H 0.3480 -0.1303 0.8393 0.046 Uiso 1 1 calc R U . . .
C44 C 0.1308(5) 0.5000(5) 0.2713(4) 0.0462(15) Uani 1 1 d . . . . .
C23 C 1.0028(4) 0.0519(6) 0.5829(5) 0.0515(17) Uani 1 1 d . . . . .
H23 H 1.0569 -0.0104 0.5750 0.062 Uiso 1 1 calc R U . . .
C46 C 0.1086(4) 0.4240(5) 0.4436(5) 0.0438(14) Uani 1 1 d . . . . .
C31 C 0.2875(4) -0.0011(5) 0.6975(5) 0.0450(15) Uani 1 1 d . . . . .
H31 H 0.2411 -0.0255 0.6843 0.054 Uiso 1 1 calc R U . . .
F17B F 0.2932(5) 0.6302(5) 1.0136(5) 0.0789(18) Uani 0.7 1 d . . P C 2
C30 C 0.2921(4) 0.0981(5) 0.6246(4) 0.0396(13) Uani 1 1 d . . . . .
H30 H 0.2482 0.1417 0.5620 0.048 Uiso 1 1 calc R U . . .
F16B F 0.4052(5) 0.6755(4) 0.8557(5) 0.0734(17) Uani 0.7 1 d . . P C 2
C45 C 0.0766(5) 0.4593(5) 0.3454(5) 0.0482(15) Uani 1 1 d . . . . .
C36A C 0.2588(7) 0.7342(6) 0.6668(7) 0.0285(16) Uani 0.7 1 d . . P A 1
C40A C 0.2518(8) 0.5661(7) 0.6943(8) 0.0274(9) Uani 0.7 1 d . . P A 1
C39A C 0.1901(11) 0.5711(10) 0.7710(10) 0.0327(18) Uani 0.7 1 d . . P A 1
C38A C 0.1629(6) 0.6590(9) 0.7968(6) 0.032(2) Uani 0.7 1 d . . P A 1
C37A C 0.1983(5) 0.7408(6) 0.7432(5) 0.0274(9) Uani 0.7 1 d . . P A 1
C15A C 0.4522(10) 0.4983(7) 0.8656(7) 0.0317(12) Uani 0.7 1 d . . P C 2
C19A C 0.3894(7) 0.3748(6) 0.9894(6) 0.032(2) Uani 0.7 1 d . . P C 2
C16B C 0.4021(13) 0.5780(8) 0.9000(10) 0.0444(16) Uani 0.7 1 d . . P C 2
C18A C 0.3388(6) 0.4523(8) 1.0264(5) 0.040(2) Uani 0.7 1 d . . P C 2
C17A C 0.3424(8) 0.5541(7) 0.9795(7) 0.048(3) Uani 0.7 1 d . . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 Tb1 3.9495(5) 2_666 ?
Tb1 O10 2.383(3) 2_666 ?
Tb1 O9 2.370(3) . ?
Tb1 O4 2.400(3) . ?
Tb1 O7 2.581(3) 2_666 ?
Tb1 O7 2.385(3) . ?
Tb1 O8 2.440(3) 2_666 ?
Tb1 O6 2.293(3) . ?
Tb1 O2 2.297(3) . ?
Tb1 C34 2.864(4) 2_666 ?
Zn1 O4 2.213(3) . ?
Zn1 O3 2.293(3) . ?
Zn1 O1 2.055(3) . ?
Zn1 N1 2.103(3) . ?
Zn1 O5 2.021(3) . ?
Zn1 N2 2.178(4) . ?
O10 Tb1 2.383(3) 2_666 ?
O10 C41 1.252(5) . ?
O9 C41 1.253(5) . ?
O4 C20 1.283(5) . ?
O3 C20 1.250(5) . ?
O7 Tb1 2.581(3) 2_666 ?
O7 C34 1.271(5) . ?
O8 Tb1 2.440(3) 2_666 ?
O8 C34 1.241(5) . ?
O1 C13 1.239(5) . ?
O6 C27 1.258(5) . ?
N1 C6 1.359(5) . ?
N1 C12 1.327(6) . ?
O2 C13 1.255(5) . ?
F43 C43 1.350(6) . ?
F47 C47 1.342(6) . ?
F46 C46 1.349(6) . ?
O5 C27 1.251(5) . ?
N2 C5 1.369(6) . ?
N2 C1 1.308(6) . ?
F40A C40A 1.323(9) . ?
C6 C7 1.421(6) . ?
C6 C5 1.437(6) . ?
F45 C45 1.337(6) . ?
C7 C8 1.443(7) . ?
C7 C10 1.415(7) . ?
C34 Tb1 2.864(4) 2_666 ?
C34 C35 1.514(6) . ?
C5 C4 1.406(6) . ?
C41 C42 1.527(6) . ?
F36A C36A 1.338(9) . ?
C20 C21 1.487(6) . ?
F44 C44 1.348(6) . ?
F37A C37A 1.359(8) . ?
C35 C36B 1.3900 . ?
C35 C40B 1.3900 . ?
C35 C36A 1.400(9) . ?
C35 C40A 1.381(9) . ?
C36B H36B 0.9500 . ?
C36B C37B 1.3900 . ?
C37B H37B 0.9500 . ?
C37B C38B 1.3900 . ?
C38B H38B 0.9500 . ?
C38B C39B 1.3900 . ?
C39B H39B 0.9500 . ?
C39B C40B 1.3900 . ?
C40B H40B 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.328(7) . ?
F38A C38A 1.333(8) . ?
F15B C15A 1.359(9) . ?
C42 C43 1.361(6) . ?
C42 C47 1.393(6) . ?
F39A C39A 1.319(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.342(7) . ?
C13 C14 1.511(6) . ?
C12 H12 0.9500 . ?
C12 C11 1.410(6) . ?
C21 C22 1.388(7) . ?
C21 C26 1.395(7) . ?
F19B C19A 1.348(9) . ?
C11 H11 0.9500 . ?
C28 C27 1.497(6) . ?
C28 C29 1.387(6) . ?
C28 C33 1.394(6) . ?
C9 H9 0.9500 . ?
C9 C4 1.439(7) . ?
C43 C44 1.386(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.408(8) . ?
C4 C3 1.394(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.373(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.405(7) . ?
C15B H15B 0.9500 . ?
C15B C16A 1.3900 . ?
C15B C14 1.3900 . ?
C16A H16A 0.9500 . ?
C16A C17B 1.3900 . ?
C17B H17B 0.9500 . ?
C17B C18B 1.3900 . ?
C18B H18B 0.9500 . ?
C18B C19B 1.3900 . ?
C19B H19B 0.9500 . ?
C19B C14 1.3900 . ?
C14 C15A 1.385(10) . ?
C14 C19A 1.394(9) . ?
C25 H25 0.9500 . ?
C25 C24 1.361(9) . ?
C25 C26 1.391(7) . ?
C33 H33 0.9500 . ?
C33 C32 1.393(7) . ?
F18B C18A 1.311(9) . ?
C24 H24 0.9500 . ?
C24 C23 1.388(9) . ?
C47 C46 1.377(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.377(7) . ?
C3 H3 0.9500 . ?
C26 H26 0.9500 . ?
C32 H32 0.9500 . ?
C32 C31 1.389(8) . ?
C44 C45 1.348(8) . ?
C23 H23 0.9500 . ?
C46 C45 1.363(8) . ?
C31 H31 0.9500 . ?
C31 C30 1.399(8) . ?
F17B C17A 1.321(9) . ?
C30 H30 0.9500 . ?
F16B C16B 1.301(10) . ?
C36A C37A 1.368(10) . ?
C40A C39A 1.378(9) . ?
C39A C38A 1.391(11) . ?
C38A C37A 1.390(10) . ?
C15A C16B 1.366(10) . ?
C19A C18A 1.370(10) . ?
C16B C17A 1.391(13) . ?
C18A C17A 1.361(12) . ?

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
O10 Tb1 Tb1 69.85(7) 2_666 2_666 ?
O10 Tb1 O4 74.82(10) 2_666 . ?
O10 Tb1 O7 77.68(10) 2_666 . ?
O10 Tb1 O7 70.73(9) 2_666 2_666 ?
O10 Tb1 O8 98.48(10) 2_666 2_666 ?
O10 Tb1 C34 83.38(11) 2_666 2_666 ?
O9 Tb1 Tb1 68.16(7) . 2_666 ?
O9 Tb1 O10 137.93(10) . 2_666 ?
O9 Tb1 O4 140.14(10) . . ?
O9 Tb1 O7 71.63(10) . . ?
O9 Tb1 O7 73.86(9) . 2_666 ?
O9 Tb1 O8 76.09(10) . 2_666 ?
O9 Tb1 C34 74.51(11) . 2_666 ?
O4 Tb1 Tb1 137.58(7) . 2_666 ?
O4 Tb1 O7 110.14(10) . 2_666 ?
O4 Tb1 O8 76.87(10) . 2_666 ?
O4 Tb1 C34 92.52(11) . 2_666 ?
O7 Tb1 Tb1 39.08(7) . 2_666 ?
O7 Tb1 Tb1 35.62(6) 2_666 2_666 ?
O7 Tb1 O4 148.22(10) . . ?
O7 Tb1 O7 74.70(10) . 2_666 ?
O7 Tb1 O8 123.18(9) . 2_666 ?
O7 Tb1 C34 26.34(10) 2_666 2_666 ?
O7 Tb1 C34 99.88(11) . 2_666 ?
O8 Tb1 Tb1 85.76(7) 2_666 2_666 ?
O8 Tb1 O7 51.78(9) 2_666 2_666 ?
O8 Tb1 C34 25.49(10) 2_666 2_666 ?
O6 Tb1 Tb1 141.64(8) . 2_666 ?
O6 Tb1 O10 148.41(11) . 2_666 ?
O6 Tb1 O9 73.66(10) . . ?
O6 Tb1 O4 77.02(11) . . ?
O6 Tb1 O7 133.68(11) . 2_666 ?
O6 Tb1 O7 123.44(11) . . ?
O6 Tb1 O8 88.74(12) . 2_666 ?
O6 Tb1 O2 81.48(12) . . ?
O6 Tb1 C34 112.02(12) . 2_666 ?
O2 Tb1 Tb1 115.56(8) . 2_666 ?
O2 Tb1 O10 79.44(11) . 2_666 ?
O2 Tb1 O9 121.60(11) . . ?
O2 Tb1 O4 79.13(11) . . ?
O2 Tb1 O7 144.41(10) . 2_666 ?
O2 Tb1 O7 80.46(10) . . ?
O2 Tb1 O8 155.57(10) . 2_666 ?
O2 Tb1 C34 162.34(12) . 2_666 ?
C34 Tb1 Tb1 61.17(8) 2_666 2_666 ?
O4 Zn1 O3 58.29(11) . . ?
O1 Zn1 O4 104.21(11) . . ?
O1 Zn1 O3 160.25(12) . . ?
O1 Zn1 N1 101.86(12) . . ?
O1 Zn1 N2 86.63(13) . . ?
N1 Zn1 O4 149.62(12) . . ?
N1 Zn1 O3 93.06(12) . . ?
N1 Zn1 N2 78.40(14) . . ?
O5 Zn1 O4 100.68(12) . . ?
O5 Zn1 O3 94.81(12) . . ?
O5 Zn1 O1 97.78(13) . . ?
O5 Zn1 N1 90.91(13) . . ?
O5 Zn1 N2 169.09(13) . . ?
N2 Zn1 O4 87.79(13) . . ?
N2 Zn1 O3 83.75(13) . . ?
C41 O10 Tb1 134.5(3) . 2_666 ?
C41 O9 Tb1 137.3(3) . . ?
Zn1 O4 Tb1 113.57(12) . . ?
C20 O4 Tb1 140.3(3) . . ?
C20 O4 Zn1 91.8(2) . . ?
C20 O3 Zn1 89.0(3) . . ?
Tb1 O7 Tb1 105.30(10) . 2_666 ?
C34 O7 Tb1 89.3(2) . 2_666 ?
C34 O7 Tb1 157.3(3) . . ?
C34 O8 Tb1 96.7(3) . 2_666 ?
C13 O1 Zn1 123.2(3) . . ?
C27 O6 Tb1 154.3(3) . . ?
C6 N1 Zn1 114.2(3) . . ?
C12 N1 Zn1 127.1(3) . . ?
C12 N1 C6 118.7(4) . . ?
C13 O2 Tb1 152.3(3) . . ?
C27 O5 Zn1 125.0(3) . . ?
C5 N2 Zn1 111.9(3) . . ?
C1 N2 Zn1 129.8(3) . . ?
C1 N2 C5 118.3(4) . . ?
N1 C6 C7 121.9(4) . . ?
N1 C6 C5 118.2(4) . . ?
C7 C6 C5 119.9(4) . . ?
C6 C7 C8 117.9(5) . . ?
C10 C7 C6 116.9(4) . . ?
C10 C7 C8 125.2(4) . . ?
O7 C34 Tb1 64.3(2) . 2_666 ?
O7 C34 C35 118.9(4) . . ?
O8 C34 Tb1 57.8(2) . 2_666 ?
O8 C34 O7 121.9(4) . . ?
O8 C34 C35 119.0(4) . . ?
C35 C34 Tb1 171.0(3) . 2_666 ?
N2 C5 C6 117.2(4) . . ?
N2 C5 C4 122.7(4) . . ?
C4 C5 C6 120.0(4) . . ?
O10 C41 O9 127.9(4) . . ?
O10 C41 C42 116.3(4) . . ?
O9 C41 C42 115.8(4) . . ?
O4 C20 C21 119.7(4) . . ?
O3 C20 O4 120.2(4) . . ?
O3 C20 C21 120.0(4) . . ?
C36B C35 C34 120.6(5) . . ?
C36B C35 C40B 120.0 . . ?
C40B C35 C34 119.0(5) . . ?
C36A C35 C34 119.9(5) . . ?
C40A C35 C34 123.7(5) . . ?
C40A C35 C36A 116.3(6) . . ?
C35 C36B H36B 120.0 . . ?
C37B C36B C35 120.0 . . ?
C37B C36B H36B 120.0 . . ?
C36B C37B H37B 120.0 . . ?
C36B C37B C38B 120.0 . . ?
C38B C37B H37B 120.0 . . ?
C37B C38B H38B 120.0 . . ?
C39B C38B C37B 120.0 . . ?
C39B C38B H38B 120.0 . . ?
C38B C39B H39B 120.0 . . ?
C38B C39B C40B 120.0 . . ?
C40B C39B H39B 120.0 . . ?
C35 C40B H40B 120.0 . . ?
C39B C40B C35 120.0 . . ?
C39B C40B H40B 120.0 . . ?
C7 C8 H8 119.0 . . ?
C9 C8 C7 121.9(5) . . ?
C9 C8 H8 119.0 . . ?
C43 C42 C41 123.4(4) . . ?
C43 C42 C47 116.6(4) . . ?
C47 C42 C41 120.0(4) . . ?
C7 C10 H10 119.7 . . ?
C11 C10 C7 120.5(4) . . ?
C11 C10 H10 119.7 . . ?
O1 C13 O2 126.4(4) . . ?
O1 C13 C14 118.6(4) . . ?
O2 C13 C14 115.0(4) . . ?
N1 C12 H12 118.6 . . ?
N1 C12 C11 122.8(4) . . ?
C11 C12 H12 118.6 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 C26 120.2(5) . . ?
C26 C21 C20 119.4(4) . . ?
C10 C11 C12 119.1(4) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C29 C28 C27 120.1(4) . . ?
C29 C28 C33 119.4(4) . . ?
C33 C28 C27 120.4(4) . . ?
C8 C9 H9 119.1 . . ?
C8 C9 C4 121.7(5) . . ?
C4 C9 H9 119.1 . . ?
F43 C43 C42 120.4(4) . . ?
F43 C43 C44 117.4(5) . . ?
C42 C43 C44 122.2(5) . . ?
C21 C22 H22 120.6 . . ?
C21 C22 C23 118.7(6) . . ?
C23 C22 H22 120.6 . . ?
O6 C27 C28 116.6(4) . . ?
O5 C27 O6 124.8(4) . . ?
O5 C27 C28 118.6(4) . . ?
C5 C4 C9 118.5(5) . . ?
C3 C4 C5 117.3(5) . . ?
C3 C4 C9 124.2(5) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 C28 121.0(5) . . ?
C30 C29 H29 119.5 . . ?
N2 C1 H1 118.5 . . ?
N2 C1 C2 123.0(5) . . ?
C2 C1 H1 118.5 . . ?
C16A C15B H15B 120.0 . . ?
C16A C15B C14 120.0 . . ?
C14 C15B H15B 120.0 . . ?
C15B C16A H16A 120.0 . . ?
C17B C16A C15B 120.0 . . ?
C17B C16A H16A 120.0 . . ?
C16A C17B H17B 120.0 . . ?
C16A C17B C18B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C17B C18B H18B 120.0 . . ?
C19B C18B C17B 120.0 . . ?
C19B C18B H18B 120.0 . . ?
C18B C19B H19B 120.0 . . ?
C18B C19B C14 120.0 . . ?
C14 C19B H19B 120.0 . . ?
C15B C14 C13 122.0(5) . . ?
C19B C14 C13 117.9(5) . . ?
C19B C14 C15B 120.0 . . ?
C15A C14 C13 120.6(5) . . ?
C15A C14 C19A 116.6(6) . . ?
C19A C14 C13 122.6(5) . . ?
C24 C25 H25 119.1 . . ?
C24 C25 C26 121.9(6) . . ?
C26 C25 H25 119.1 . . ?
C28 C33 H33 120.1 . . ?
C32 C33 C28 119.8(5) . . ?
C32 C33 H33 120.1 . . ?
C25 C24 H24 120.6 . . ?
C25 C24 C23 118.9(5) . . ?
C23 C24 H24 120.6 . . ?
F47 C47 C42 121.2(4) . . ?
F47 C47 C46 117.4(5) . . ?
C46 C47 C42 121.4(5) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.0(5) . . ?
C3 C2 H2 120.5 . . ?
C4 C3 H3 120.1 . . ?
C2 C3 C4 119.8(5) . . ?
C2 C3 H3 120.1 . . ?
C21 C26 H26 120.4 . . ?
C25 C26 C21 119.2(5) . . ?
C25 C26 H26 120.4 . . ?
C33 C32 H32 119.8 . . ?
C31 C32 C33 120.3(5) . . ?
C31 C32 H32 119.8 . . ?
F44 C44 C43 119.9(6) . . ?
C45 C44 F44 120.2(5) . . ?
C45 C44 C43 119.9(5) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.1(6) . . ?
C24 C23 H23 119.5 . . ?
F46 C46 C47 119.3(5) . . ?
F46 C46 C45 120.7(5) . . ?
C45 C46 C47 119.9(5) . . ?
C32 C31 H31 120.3 . . ?
C32 C31 C30 119.4(5) . . ?
C30 C31 H31 120.3 . . ?
C29 C30 C31 120.0(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
F45 C45 C44 121.3(6) . . ?
F45 C45 C46 118.7(6) . . ?
C44 C45 C46 119.9(5) . . ?
F36A C36A C35 123.1(6) . . ?
F36A C36A C37A 114.6(6) . . ?
C37A C36A C35 122.3(7) . . ?
F40A C40A C35 120.1(7) . . ?
F40A C40A C39A 117.1(7) . . ?
C39A C40A C35 122.7(6) . . ?
F39A C39A C40A 120.4(8) . . ?
F39A C39A C38A 119.8(7) . . ?
C40A C39A C38A 119.8(7) . . ?
F38A C38A C39A 120.2(8) . . ?
F38A C38A C37A 121.2(8) . . ?
C37A C38A C39A 118.6(6) . . ?
F37A C37A C36A 122.5(7) . . ?
F37A C37A C38A 117.3(7) . . ?
C36A C37A C38A 120.2(7) . . ?
F15B C15A C14 120.1(7) . . ?
F15B C15A C16B 117.0(7) . . ?
C16B C15A C14 122.9(7) . . ?
F19B C19A C14 118.0(6) . . ?
F19B C19A C18A 119.8(7) . . ?
C18A C19A C14 122.2(7) . . ?
F16B C16B C15A 120.9(9) . . ?
F16B C16B C17A 121.2(9) . . ?
C15A C16B C17A 117.8(7) . . ?
F18B C18A C19A 118.9(8) . . ?
F18B C18A C17A 122.0(8) . . ?
C17A C18A C19A 118.8(7) . . ?
F17B C17A C16B 118.6(9) . . ?
F17B C17A C18A 119.6(10) . . ?
C18A C17A C16B 121.7(7) . . ?

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
Tb1 O10 C41 O9 -15.6(7) 2_666 . . . ?
Tb1 O10 C41 C42 163.5(3) 2_666 . . . ?
Tb1 O9 C41 O10 22.5(7) . . . . ?
Tb1 O9 C41 C42 -156.5(3) . . . . ?
Tb1 O4 C20 O3 -122.9(4) . . . . ?
Tb1 O4 C20 C21 61.6(6) . . . . ?
Tb1 O7 C34 Tb1 131.0(7) . . . 2_666 ?
Tb1 O7 C34 O8 126.0(6) . . . . ?
Tb1 O7 C34 O8 -5.1(4) 2_666 . . . ?
Tb1 O7 C34 C35 -58.4(9) . . . . ?
Tb1 O7 C34 C35 170.6(3) 2_666 . . . ?
Tb1 O8 C34 O7 5.4(4) 2_666 . . . ?
Tb1 O8 C34 C35 -170.2(3) 2_666 . . . ?
Tb1 O6 C27 O5 -1.3(11) . . . . ?
Tb1 O6 C27 C28 179.3(5) . . . . ?
Tb1 O2 C13 O1 -13.7(10) . . . . ?
Tb1 O2 C13 C14 166.8(5) . . . . ?
Zn1 O4 C20 O3 8.7(4) . . . . ?
Zn1 O4 C20 C21 -166.9(4) . . . . ?
Zn1 O3 C20 O4 -8.4(4) . . . . ?
Zn1 O3 C20 C21 167.1(4) . . . . ?
Zn1 O1 C13 O2 18.7(6) . . . . ?
Zn1 O1 C13 C14 -161.8(3) . . . . ?
Zn1 N1 C6 C7 -177.2(3) . . . . ?
Zn1 N1 C6 C5 3.8(5) . . . . ?
Zn1 N1 C12 C11 176.6(3) . . . . ?
Zn1 O5 C27 O6 2.0(6) . . . . ?
Zn1 O5 C27 C28 -178.6(3) . . . . ?
Zn1 N2 C5 C6 -0.7(5) . . . . ?
Zn1 N2 C5 C4 -179.3(3) . . . . ?
Zn1 N2 C1 C2 178.6(3) . . . . ?
O10 C41 C42 C43 42.2(6) . . . . ?
O10 C41 C42 C47 -136.0(4) . . . . ?
O9 C41 C42 C43 -138.6(5) . . . . ?
O9 C41 C42 C47 43.2(6) . . . . ?
O4 C20 C21 C22 -167.2(4) . . . . ?
O4 C20 C21 C26 15.8(6) . . . . ?
O3 C20 C21 C22 17.3(6) . . . . ?
O3 C20 C21 C26 -159.7(4) . . . . ?
O7 C34 C35 C36B 169.0(9) . . . . ?
O7 C34 C35 C40B -17.9(13) . . . . ?
O7 C34 C35 C36A 155.9(6) . . . . ?
O7 C34 C35 C40A -20.2(9) . . . . ?
O8 C34 C35 C36B -15.2(10) . . . . ?
O8 C34 C35 C40B 157.8(13) . . . . ?
O8 C34 C35 C36A -28.3(7) . . . . ?
O8 C34 C35 C40A 155.6(8) . . . . ?
O1 C13 C14 C15B 145.9(13) . . . . ?
O1 C13 C14 C19B -30.3(11) . . . . ?
O1 C13 C14 C15A 141.4(8) . . . . ?
O1 C13 C14 C19A -43.3(7) . . . . ?
N1 C6 C7 C8 -178.3(4) . . . . ?
N1 C6 C7 C10 0.6(6) . . . . ?
N1 C6 C5 N2 -2.0(6) . . . . ?
N1 C6 C5 C4 176.6(4) . . . . ?
N1 C12 C11 C10 0.0(7) . . . . ?
O2 C13 C14 C15B -34.6(13) . . . . ?
O2 C13 C14 C19B 149.2(10) . . . . ?
O2 C13 C14 C15A -39.1(9) . . . . ?
O2 C13 C14 C19A 136.2(6) . . . . ?
F43 C43 C44 F44 -2.0(8) . . . . ?
F43 C43 C44 C45 178.7(5) . . . . ?
F47 C47 C46 F46 -1.7(8) . . . . ?
F47 C47 C46 C45 175.5(5) . . . . ?
F46 C46 C45 F45 -1.0(9) . . . . ?
F46 C46 C45 C44 178.0(5) . . . . ?
N2 C5 C4 C9 -179.1(4) . . . . ?
N2 C5 C4 C3 0.5(7) . . . . ?
N2 C1 C2 C3 0.5(7) . . . . ?
F40A C40A C39A F39A 2.8(11) . . . . ?
F40A C40A C39A C38A -177.5(12) . . . . ?
C6 N1 C12 C11 -1.4(6) . . . . ?
C6 C7 C8 C9 1.1(7) . . . . ?
C6 C7 C10 C11 -2.0(7) . . . . ?
C6 C5 C4 C9 2.3(6) . . . . ?
C6 C5 C4 C3 -178.1(4) . . . . ?
C7 C6 C5 N2 178.9(4) . . . . ?
C7 C6 C5 C4 -2.4(6) . . . . ?
C7 C8 C9 C4 -1.2(8) . . . . ?
C7 C10 C11 C12 1.7(7) . . . . ?
C34 C35 C36B C37B 173.0(6) . . . . ?
C34 C35 C40B C39B -173.1(6) . . . . ?
C34 C35 C36A F36A 2.1(11) . . . . ?
C34 C35 C36A C37A -177.2(6) . . . . ?
C34 C35 C40A F40A -6.3(14) . . . . ?
C34 C35 C40A C39A 177.6(6) . . . . ?
C5 N2 C1 C2 -0.1(7) . . . . ?
C5 C6 C7 C8 0.8(6) . . . . ?
C5 C6 C7 C10 179.6(4) . . . . ?
C5 C4 C3 C2 -0.1(7) . . . . ?
C41 C42 C43 F43 1.8(7) . . . . ?
C41 C42 C43 C44 179.7(5) . . . . ?
C41 C42 C47 F47 3.4(7) . . . . ?
C41 C42 C47 C46 -178.9(5) . . . . ?
F36A C36A C37A F37A -0.5(11) . . . . ?
F36A C36A C37A C38A -179.1(7) . . . . ?
C20 C21 C22 C23 -177.3(4) . . . . ?
C20 C21 C26 C25 178.8(4) . . . . ?
F44 C44 C45 F45 -0.4(9) . . . . ?
F44 C44 C45 C46 -179.4(6) . . . . ?
C35 C36B C37B C38B 0.0 . . . . ?
C35 C36A C37A F37A 178.8(7) . . . . ?
C35 C36A C37A C38A 0.3(12) . . . . ?
C35 C40A C39A F39A 179.0(13) . . . . ?
C35 C40A C39A C38A -1.3(11) . . . . ?
C36B C35 C40B C39B 0.0 . . . . ?
C36B C37B C38B C39B 0.0 . . . . ?
C37B C38B C39B C40B 0.0 . . . . ?
C38B C39B C40B C35 0.0 . . . . ?
C40B C35 C36B C37B 0.0 . . . . ?
C8 C7 C10 C11 176.8(4) . . . . ?
C8 C9 C4 C5 -0.5(7) . . . . ?
C8 C9 C4 C3 180.0(5) . . . . ?
F38A C38A C37A F37A 1.5(11) . . . . ?
F38A C38A C37A C36A -179.9(8) . . . . ?
F15B C15A C16B F16B 0.2(13) . . . . ?
F15B C15A C16B C17A 176.1(13) . . . . ?
C42 C43 C44 F44 -179.9(5) . . . . ?
C42 C43 C44 C45 0.9(9) . . . . ?
C42 C47 C46 F46 -179.5(5) . . . . ?
C42 C47 C46 C45 -2.3(8) . . . . ?
F39A C39A C38A F38A 0.1(15) . . . . ?
F39A C39A C38A C37A -179.7(10) . . . . ?
C10 C7 C8 C9 -177.7(5) . . . . ?
C13 C14 C15A F15B -1.7(14) . . . . ?
C13 C14 C15A C16B 176.8(7) . . . . ?
C13 C14 C19A F19B 2.6(10) . . . . ?
C13 C14 C19A C18A -177.2(6) . . . . ?
C12 N1 C6 C7 1.1(6) . . . . ?
C12 N1 C6 C5 -178.0(4) . . . . ?
C21 C22 C23 C24 -0.8(8) . . . . ?
F19B C19A C18A F18B -2.4(12) . . . . ?
F19B C19A C18A C17A -176.3(7) . . . . ?
C28 C29 C30 C31 -0.5(7) . . . . ?
C28 C33 C32 C31 1.2(7) . . . . ?
C9 C4 C3 C2 179.5(5) . . . . ?
C43 C42 C47 F47 -174.9(5) . . . . ?
C43 C42 C47 C46 2.8(7) . . . . ?
C43 C44 C45 F45 178.8(5) . . . . ?
C43 C44 C45 C46 -0.2(9) . . . . ?
C22 C21 C26 C25 1.7(7) . . . . ?
C27 C28 C29 C30 -178.3(4) . . . . ?
C27 C28 C33 C32 177.9(4) . . . . ?
C29 C28 C27 O6 2.4(6) . . . . ?
C29 C28 C27 O5 -177.0(4) . . . . ?
C29 C28 C33 C32 -1.1(7) . . . . ?
C1 N2 C5 C6 178.3(4) . . . . ?
C1 N2 C5 C4 -0.4(6) . . . . ?
C1 C2 C3 C4 -0.4(7) . . . . ?
C15B C16A C17B C18B 0.0 . . . . ?
C16A C15B C14 C13 -176.1(7) . . . . ?
C16A C15B C14 C19B 0.0 . . . . ?
C16A C17B C18B C19B 0.0 . . . . ?
C17B C18B C19B C14 0.0 . . . . ?
C18B C19B C14 C13 176.3(7) . . . . ?
C18B C19B C14 C15B 0.0 . . . . ?
C14 C15B C16A C17B 0.0 . . . . ?
C14 C15A C16B F16B -178.4(14) . . . . ?
C14 C15A C16B C17A -2.5(13) . . . . ?
C14 C19A C18A F18B 177.4(7) . . . . ?
C14 C19A C18A C17A 3.5(13) . . . . ?
C25 C24 C23 C22 0.3(8) . . . . ?
C33 C28 C27 O6 -176.6(4) . . . . ?
C33 C28 C27 O5 3.9(6) . . . . ?
C33 C28 C29 C30 0.8(7) . . . . ?
C33 C32 C31 C30 -1.0(8) . . . . ?
F18B C18A C17A F17B 5.7(12) . . . . ?
F18B C18A C17A C16B -178.4(10) . . . . ?
C24 C25 C26 C21 -2.2(8) . . . . ?
C47 C42 C43 F43 -179.9(4) . . . . ?
C47 C42 C43 C44 -2.1(8) . . . . ?
C47 C46 C45 F45 -178.1(5) . . . . ?
C47 C46 C45 C44 0.9(9) . . . . ?
C26 C21 C22 C23 -0.3(7) . . . . ?
C26 C25 C24 C23 1.2(8) . . . . ?
C32 C31 C30 C29 0.6(8) . . . . ?
F16B C16B C17A F17B -4.0(18) . . . . ?
F16B C16B C17A C18A -179.9(11) . . . . ?
C36A C35 C40A F40A 177.5(10) . . . . ?
C36A C35 C40A C39A 1.4(10) . . . . ?
C40A C35 C36A F36A 178.4(10) . . . . ?
C40A C35 C36A C37A -0.9(10) . . . . ?
C40A C39A C38A F38A -179.6(7) . . . . ?
C40A C39A C38A C37A 0.6(12) . . . . ?
C39A C38A C37A F37A -178.8(8) . . . . ?
C39A C38A C37A C36A -0.1(13) . . . . ?
C15A C14 C19A F19B 178.0(9) . . . . ?
C15A C14 C19A C18A -1.8(11) . . . . ?
C15A C16B C17A F17B -179.9(8) . . . . ?
C15A C16B C17A C18A 4.2(15) . . . . ?
C19A C14 C15A F15B -177.2(9) . . . . ?
C19A C14 C15A C16B 1.3(11) . . . . ?
C19A C18A C17A F17B 179.4(8) . . . . ?
C19A C18A C17A C16B -4.7(15) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.316 0.184 0.316 470.6 42.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_130
_database_code_depnum_ccdc_archive 'CCDC 2390847'
loop_
_audit_author_name
_audit_author_address
'Maksim shmelev'
;kurnakov institute of general and inorganic chemistry
Russia
;
_audit_update_record             
;
2024-10-12 deposited with the CCDC.	2025-03-03 downloaded from the CCDC.
;
_audit_creation_date             2024-10-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C94 H66 Eu2 N4 O20 Zn2'
_chemical_formula_sum            'C94 H66 Eu2 N4 O20 Zn2'
_chemical_formula_weight         2006.16
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9014(13)
_cell_length_b                   13.4139(15)
_cell_length_c                   14.6057(15)
_cell_angle_alpha                107.083(5)
_cell_angle_beta                 111.257(5)
_cell_angle_gamma                98.010(7)
_cell_volume                     1996.5(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9863
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      73.23
_cell_measurement_theta_min      3.50
_shelx_estimated_absorpt_T_max   0.370
_shelx_estimated_absorpt_T_min   0.317
_exptl_absorpt_coefficient_mu    12.414
_exptl_absorpt_correction_T_max  0.1047
_exptl_absorpt_correction_T_min  0.0058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1677 before and 0.0962 after correction.
The Ratio of minimum to maximum transmission is 0.0554.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0942
_diffrn_reflns_av_unetI/netI     0.0961
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17827
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.246
_diffrn_reflns_theta_min         3.499
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6239
_reflns_number_total             7058
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.35A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.35A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         2.343
_refine_diff_density_min         -1.864
_refine_diff_density_rms         0.205
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7058
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0782
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1491P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1990
_refine_ls_wR_factor_ref         0.2067
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C38(H38), C3(H3), C6(H6), C7(H7), C10(H10), C41(H41), C17(H17), C36(H36),
 C19(H19), C40(H40), C44(H44), C43(H43), C14(H14), C31(H31), C24(H24), C32(H32),
  C27(H27), C12(H12), C13(H13), C37(H37), C45(H45), C18(H18), C5(H5), C26(H26),
 C34(H34), C4(H4), C28(H28), C20(H20), C21(H21), C33(H33), C35(H35), C25(H25),
 C11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.54064(3) 0.61034(3) 0.14879(3) 0.03875(19) Uani 1 1 d . . . . .
Zn1 Zn 0.49796(9) 0.66231(8) 0.40276(7) 0.0422(3) Uani 1 1 d . . . . .
O7 O 0.6068(5) 0.8037(4) 0.1862(4) 0.0464(12) Uani 1 1 d . . . . .
O8 O 0.7146(5) 0.7019(4) 0.1287(4) 0.0477(12) Uani 1 1 d . . . . .
O3 O 0.4237(5) 0.4980(4) 0.3366(4) 0.0449(11) Uani 1 1 d . . . . .
O5 O 0.6852(5) 0.6441(5) 0.4787(4) 0.0478(12) Uani 1 1 d . . . . .
O9 O 0.4327(5) 0.5701(4) -0.0350(4) 0.0440(11) Uani 1 1 d . . . . .
O4 O 0.4293(5) 0.4795(4) 0.1818(5) 0.0487(12) Uani 1 1 d . . . . .
O10 O 0.3067(5) 0.4911(4) -0.2032(4) 0.0465(11) Uani 1 1 d . . . . .
O1 O 0.3378(5) 0.6777(4) 0.3018(4) 0.0484(12) Uani 1 1 d . . . . .
O6 O 0.6452(5) 0.6836(4) 0.3364(4) 0.0454(12) Uani 1 1 d . . . . .
N1 N 0.4536(6) 0.6897(5) 0.5336(5) 0.0424(13) Uani 1 1 d . . . . .
O2 O 0.3763(5) 0.6773(5) 0.1633(5) 0.0491(12) Uani 1 1 d . . . . .
N2 N 0.5781(6) 0.8368(5) 0.4872(5) 0.0448(14) Uani 1 1 d . . . . .
C8 C 0.3987(7) 0.4428(6) 0.2412(6) 0.0403(15) Uani 1 1 d . . . . .
C38 C 0.3936(7) 0.7504(7) 0.7062(6) 0.0469(17) Uani 1 1 d . . . . .
H38 H 0.3724 0.7697 0.7646 0.056 Uiso 1 1 calc R U . . .
C3 C 0.0789(8) 0.6096(7) 0.1710(7) 0.0492(17) Uani 1 1 d . . . . .
H3 H 0.1049 0.5879 0.2300 0.059 Uiso 1 1 calc R U . . .
C9 C 0.3310(7) 0.3254(6) 0.1971(6) 0.0436(15) Uani 1 1 d . . . . .
C6 C 0.0002(8) 0.6739(8) 0.0009(7) 0.0546(19) Uani 1 1 d . . . . .
H6 H -0.0272 0.6978 -0.0566 0.066 Uiso 1 1 calc R U . . .
C7 C 0.1287(8) 0.6908(7) 0.0598(7) 0.0528(19) Uani 1 1 d . . . . .
H7 H 0.1885 0.7243 0.0413 0.063 Uiso 1 1 calc R U . . .
C22 C 0.7074(7) 0.7961(6) 0.1766(6) 0.0434(15) Uani 1 1 d . . . . .
C1 C 0.3041(7) 0.6718(6) 0.2081(6) 0.0443(16) Uani 1 1 d . . . . .
C42 C 0.5951(7) 0.9859(6) 0.6375(6) 0.0467(17) Uani 1 1 d . . . . .
C10 C 0.2737(8) 0.2821(7) 0.2512(7) 0.0512(18) Uani 1 1 d . . . . .
H10 H 0.2781 0.3276 0.3167 0.061 Uiso 1 1 calc R U . . .
C41 C 0.5607(8) 1.0194(7) 0.7258(7) 0.0514(19) Uani 1 1 d . . . . .
H41 H 0.5850 1.0941 0.7693 0.062 Uiso 1 1 calc R U . . .
C17 C 0.9272(8) 0.6312(7) 0.4972(7) 0.0504(17) Uani 1 1 d . . . . .
H17 H 0.8948 0.5993 0.5358 0.060 Uiso 1 1 calc R U . . .
C36 C 0.3957(7) 0.6165(6) 0.5577(6) 0.0435(15) Uani 1 1 d . . . . .
H36 H 0.3748 0.5420 0.5148 0.052 Uiso 1 1 calc R U . . .
C19 C 1.0980(8) 0.6827(7) 0.4550(7) 0.0537(19) Uani 1 1 d . . . . .
H19 H 1.1808 0.6841 0.4619 0.064 Uiso 1 1 calc R U . . .
C40 C 0.4947(8) 0.9456(7) 0.7467(6) 0.0494(17) Uani 1 1 d . . . . .
H40 H 0.4732 0.9695 0.8045 0.059 Uiso 1 1 calc R U . . .
C29 C 0.3463(7) 0.5693(6) -0.1181(6) 0.0439(16) Uani 1 1 d . . . . .
C39 C 0.4568(7) 0.8328(7) 0.6840(6) 0.0467(16) Uani 1 1 d . . . . .
C44 C 0.6862(8) 1.0176(7) 0.5253(7) 0.0493(17) Uani 1 1 d . . . . .
H44 H 0.7339 1.0657 0.5078 0.059 Uiso 1 1 calc R U . . .
C15 C 0.7216(8) 0.6663(6) 0.4148(7) 0.0470(17) Uani 1 1 d . . . . .
C16 C 0.8520(7) 0.6738(6) 0.4293(6) 0.0431(15) Uani 1 1 d . . . . .
C43 C 0.6628(8) 1.0578(7) 0.6122(7) 0.0496(17) Uani 1 1 d . . . . .
H43 H 0.6922 1.1332 0.6541 0.059 Uiso 1 1 calc R U . . .
C30 C 0.2936(7) 0.6653(6) -0.1161(6) 0.0420(15) Uani 1 1 d . . . . .
C14 C 0.3237(8) 0.2571(7) 0.1023(6) 0.0492(17) Uani 1 1 d . . . . .
H14 H 0.3617 0.2860 0.0651 0.059 Uiso 1 1 calc R U . . .
C31 C 0.1760(8) 0.6493(7) -0.1963(6) 0.0454(16) Uani 1 1 d . . . . .
H31 H 0.1309 0.5793 -0.2496 0.055 Uiso 1 1 calc R U . . .
C46 C 0.5552(7) 0.8744(6) 0.5747(6) 0.0429(15) Uani 1 1 d . . . . .
C24 C 0.8175(8) 0.9896(7) 0.2953(7) 0.0502(17) Uani 1 1 d . . . . .
H24 H 0.7443 0.9962 0.3060 0.060 Uiso 1 1 calc R U . . .
C32 C 0.1263(8) 0.7354(7) -0.1976(7) 0.0520(18) Uani 1 1 d . . . . .
H32 H 0.0455 0.7243 -0.2508 0.062 Uiso 1 1 calc R U . . .
C27 C 1.0297(8) 0.9721(7) 0.2615(7) 0.0525(18) Uani 1 1 d . . . . .
H27 H 1.1019 0.9672 0.2487 0.063 Uiso 1 1 calc R U . . .
C12 C 0.2047(10) 0.1061(7) 0.1148(8) 0.063(2) Uani 1 1 d . . . . .
H12 H 0.1610 0.0314 0.0870 0.076 Uiso 1 1 calc R U . . .
C13 C 0.2617(9) 0.1467(7) 0.0599(7) 0.058(2) Uani 1 1 d . . . . .
H13 H 0.2583 0.1003 -0.0048 0.069 Uiso 1 1 calc R U . . .
C37 C 0.3639(7) 0.6439(7) 0.6431(6) 0.0482(17) Uani 1 1 d . . . . .
H37 H 0.3219 0.5888 0.6573 0.058 Uiso 1 1 calc R U . . .
C2 C 0.1684(8) 0.6581(6) 0.1462(6) 0.0466(17) Uani 1 1 d . . . . .
C45 C 0.6414(7) 0.9076(7) 0.4621(6) 0.0465(16) Uani 1 1 d . . . . .
H45 H 0.6557 0.8822 0.4004 0.056 Uiso 1 1 calc R U . . .
C47 C 0.4865(7) 0.7965(6) 0.5969(6) 0.0431(15) Uani 1 1 d . . . . .
C18 C 1.0488(8) 0.6348(7) 0.5089(7) 0.0534(19) Uani 1 1 d . . . . .
H18 H 1.0985 0.6040 0.5542 0.064 Uiso 1 1 calc R U . . .
C23 C 0.8170(8) 0.8921(7) 0.2257(6) 0.0467(16) Uani 1 1 d . . . . .
C5 C -0.0862(8) 0.6228(7) 0.0261(7) 0.0525(19) Uani 1 1 d . . . . .
H5 H -0.1733 0.6086 -0.0159 0.063 Uiso 1 1 calc R U . . .
C26 C 1.0302(8) 1.0670(7) 0.3333(7) 0.0543(19) Uani 1 1 d . . . . .
H26 H 1.1043 1.1259 0.3720 0.065 Uiso 1 1 calc R U . . .
C34 C 0.3096(9) 0.8552(7) -0.0429(7) 0.0549(19) Uani 1 1 d . . . . .
H34 H 0.3557 0.9259 0.0085 0.066 Uiso 1 1 calc R U . . .
C4 C -0.0467(9) 0.5923(8) 0.1120(8) 0.058(2) Uani 1 1 d . . . . .
H4 H -0.1065 0.5590 0.1305 0.070 Uiso 1 1 calc R U . . .
C28 C 0.9228(8) 0.8837(7) 0.2083(6) 0.0487(17) Uani 1 1 d . . . . .
H28 H 0.9226 0.8181 0.1603 0.058 Uiso 1 1 calc R U . . .
C20 C 1.0241(8) 0.7295(8) 0.3899(7) 0.056(2) Uani 1 1 d . . . . .
H20 H 1.0585 0.7660 0.3553 0.068 Uiso 1 1 calc R U . . .
C21 C 0.9032(8) 0.7227(7) 0.3760(7) 0.0496(18) Uani 1 1 d . . . . .
H21 H 0.8531 0.7519 0.3292 0.060 Uiso 1 1 calc R U . . .
C33 C 0.1936(9) 0.8396(7) -0.1210(7) 0.056(2) Uani 1 1 d . . . . .
H33 H 0.1592 0.8991 -0.1231 0.067 Uiso 1 1 calc R U . . .
C35 C 0.3603(8) 0.7677(6) -0.0384(7) 0.0462(16) Uani 1 1 d . . . . .
H35 H 0.4393 0.7781 0.0170 0.055 Uiso 1 1 calc R U . . .
C25 C 0.9242(9) 1.0763(7) 0.3486(7) 0.057(2) Uani 1 1 d . . . . .
H25 H 0.9242 1.1424 0.3959 0.069 Uiso 1 1 calc R U . . .
C11 C 0.2119(10) 0.1744(8) 0.2094(8) 0.062(2) Uani 1 1 d . . . . .
H11 H 0.1729 0.1458 0.2462 0.075 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O7 2.436(6) . ?
Eu1 O8 2.414(6) . ?
Eu1 O9 2.367(5) . ?
Eu1 O9 2.637(5) 2_665 ?
Eu1 O4 2.320(5) . ?
Eu1 O10 2.462(5) 2_665 ?
Eu1 O6 2.372(5) . ?
Eu1 O2 2.314(5) . ?
Zn1 O3 2.040(5) . ?
Zn1 O5 2.186(6) . ?
Zn1 O1 2.025(5) . ?
Zn1 O6 2.313(6) . ?
Zn1 N1 2.107(6) . ?
Zn1 N2 2.177(7) . ?
O7 C22 1.269(10) . ?
O8 C22 1.283(9) . ?
O3 C8 1.269(9) . ?
O5 C15 1.252(11) . ?
O9 Eu1 2.637(5) 2_665 ?
O9 C29 1.271(10) . ?
O4 C8 1.247(9) . ?
O10 Eu1 2.462(5) 2_665 ?
O10 C29 1.240(10) . ?
O1 C1 1.254(10) . ?
O6 C15 1.286(10) . ?
N1 C36 1.323(11) . ?
N1 C47 1.366(10) . ?
O2 C1 1.261(10) . ?
N2 C46 1.371(10) . ?
N2 C45 1.344(11) . ?
C8 C9 1.490(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.430(13) . ?
C38 C37 1.365(12) . ?
C3 H3 0.9500 . ?
C3 C2 1.383(12) . ?
C3 C4 1.372(13) . ?
C9 C10 1.406(11) . ?
C9 C14 1.381(12) . ?
C6 H6 0.9500 . ?
C6 C7 1.402(12) . ?
C6 C5 1.374(14) . ?
C7 H7 0.9500 . ?
C7 C2 1.399(13) . ?
C22 C23 1.478(12) . ?
C1 C2 1.490(11) . ?
C42 C41 1.459(12) . ?
C42 C43 1.387(13) . ?
C42 C46 1.409(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.363(14) . ?
C41 H41 0.9500 . ?
C41 C40 1.350(13) . ?
C17 H17 0.9500 . ?
C17 C16 1.394(12) . ?
C17 C18 1.387(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.395(11) . ?
C19 H19 0.9500 . ?
C19 C18 1.380(14) . ?
C19 C20 1.402(14) . ?
C40 H40 0.9500 . ?
C40 C39 1.424(12) . ?
C29 Eu1 2.920(8) 2_665 ?
C29 C30 1.506(11) . ?
C39 C47 1.411(11) . ?
C44 H44 0.9500 . ?
C44 C43 1.370(12) . ?
C44 C45 1.392(11) . ?
C15 C16 1.473(11) . ?
C16 C21 1.392(12) . ?
C43 H43 0.9500 . ?
C30 C31 1.399(11) . ?
C30 C35 1.389(11) . ?
C14 H14 0.9500 . ?
C14 C13 1.395(12) . ?
C31 H31 0.9500 . ?
C31 C32 1.370(12) . ?
C46 C47 1.420(12) . ?
C24 H24 0.9500 . ?
C24 C23 1.398(11) . ?
C24 C25 1.383(13) . ?
C32 H32 0.9500 . ?
C32 C33 1.402(12) . ?
C27 H27 0.9500 . ?
C27 C26 1.389(13) . ?
C27 C28 1.396(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.395(15) . ?
C12 C11 1.381(15) . ?
C13 H13 0.9500 . ?
C37 H37 0.9500 . ?
C45 H45 0.9500 . ?
C18 H18 0.9500 . ?
C23 C28 1.385(12) . ?
C5 H5 0.9500 . ?
C5 C4 1.376(14) . ?
C26 H26 0.9500 . ?
C26 C25 1.375(14) . ?
C34 H34 0.9500 . ?
C34 C33 1.374(14) . ?
C34 C35 1.400(12) . ?
C4 H4 0.9500 . ?
C28 H28 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.364(13) . ?
C21 H21 0.9500 . ?
C33 H33 0.9500 . ?
C35 H35 0.9500 . ?
C25 H25 0.9500 . ?
C11 H11 0.9500 . ?

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
O7 Eu1 O9 137.28(17) . 2_665 ?
O7 Eu1 O10 121.66(18) . 2_665 ?
O8 Eu1 O7 53.79(17) . . ?
O8 Eu1 O9 85.60(17) . 2_665 ?
O8 Eu1 O10 79.03(19) . 2_665 ?
O9 Eu1 O7 92.01(19) . . ?
O9 Eu1 O8 83.56(19) . . ?
O9 Eu1 O9 68.2(2) . 2_665 ?
O9 Eu1 O10 117.01(17) . 2_665 ?
O9 Eu1 O6 169.36(19) . . ?
O4 Eu1 O7 144.88(18) . . ?
O4 Eu1 O8 156.5(2) . . ?
O4 Eu1 O9 105.1(2) . . ?
O4 Eu1 O9 77.83(18) . 2_665 ?
O4 Eu1 O10 77.61(19) . 2_665 ?
O4 Eu1 O6 81.6(2) . . ?
O10 Eu1 O9 50.53(17) 2_665 2_665 ?
O6 Eu1 O7 78.07(19) . . ?
O6 Eu1 O8 93.44(19) . . ?
O6 Eu1 O9 121.83(17) . 2_665 ?
O6 Eu1 O10 72.16(17) . 2_665 ?
O2 Eu1 O7 74.18(19) . . ?
O2 Eu1 O8 126.2(2) . . ?
O2 Eu1 O9 85.70(18) . . ?
O2 Eu1 O9 136.95(19) . 2_665 ?
O2 Eu1 O4 76.8(2) . . ?
O2 Eu1 O10 149.47(19) . 2_665 ?
O2 Eu1 O6 87.88(19) . . ?
O3 Zn1 O5 90.8(2) . . ?
O3 Zn1 O6 101.2(2) . . ?
O3 Zn1 N1 97.2(2) . . ?
O3 Zn1 N2 174.7(2) . . ?
O5 Zn1 O6 58.4(2) . . ?
O1 Zn1 O3 89.2(2) . . ?
O1 Zn1 O5 165.2(2) . . ?
O1 Zn1 O6 107.1(2) . . ?
O1 Zn1 N1 97.3(2) . . ?
O1 Zn1 N2 93.3(2) . . ?
N1 Zn1 O5 97.4(2) . . ?
N1 Zn1 O6 149.5(2) . . ?
N1 Zn1 N2 77.9(3) . . ?
N2 Zn1 O5 87.9(2) . . ?
N2 Zn1 O6 82.5(2) . . ?
C22 O7 Eu1 91.9(4) . . ?
C22 O8 Eu1 92.6(4) . . ?
C8 O3 Zn1 122.6(5) . . ?
C15 O5 Zn1 94.1(5) . . ?
Eu1 O9 Eu1 111.8(2) . 2_665 ?
C29 O9 Eu1 89.7(4) . 2_665 ?
C29 O9 Eu1 155.5(5) . . ?
C8 O4 Eu1 153.1(5) . . ?
C29 O10 Eu1 98.7(5) . 2_665 ?
C1 O1 Zn1 130.4(5) . . ?
Zn1 O6 Eu1 108.5(2) . . ?
C15 O6 Eu1 141.7(5) . . ?
C15 O6 Zn1 87.4(5) . . ?
C36 N1 Zn1 127.5(5) . . ?
C36 N1 C47 118.4(7) . . ?
C47 N1 Zn1 114.1(5) . . ?
C1 O2 Eu1 139.0(5) . . ?
C46 N2 Zn1 112.3(5) . . ?
C45 N2 Zn1 128.3(5) . . ?
C45 N2 C46 119.3(6) . . ?
O3 C8 C9 118.2(6) . . ?
O4 C8 O3 124.6(7) . . ?
O4 C8 C9 117.3(6) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.8(7) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C4 C3 C2 121.2(9) . . ?
C10 C9 C8 120.7(7) . . ?
C14 C9 C8 120.5(7) . . ?
C14 C9 C10 118.8(7) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.1(8) . . ?
C6 C7 H7 120.2 . . ?
C2 C7 C6 119.5(8) . . ?
C2 C7 H7 120.2 . . ?
O7 C22 O8 118.5(7) . . ?
O7 C22 C23 120.9(7) . . ?
O8 C22 C23 120.5(7) . . ?
O1 C1 O2 124.9(7) . . ?
O1 C1 C2 116.9(7) . . ?
O2 C1 C2 118.2(7) . . ?
C43 C42 C41 123.5(7) . . ?
C43 C42 C46 119.2(7) . . ?
C46 C42 C41 117.2(8) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.8(8) . . ?
C11 C10 H10 120.1 . . ?
C42 C41 H41 119.6 . . ?
C40 C41 C42 120.8(8) . . ?
C40 C41 H41 119.6 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C18 C17 C16 120.6(8) . . ?
N1 C36 H36 118.5 . . ?
N1 C36 C37 123.0(7) . . ?
C37 C36 H36 118.5 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.1(8) . . ?
C20 C19 H19 120.5 . . ?
C41 C40 H40 119.2 . . ?
C41 C40 C39 121.5(7) . . ?
C39 C40 H40 119.2 . . ?
O9 C29 Eu1 64.5(4) . 2_665 ?
O9 C29 C30 120.6(7) . . ?
O10 C29 Eu1 56.5(4) . 2_665 ?
O10 C29 O9 120.6(7) . . ?
O10 C29 C30 118.7(7) . . ?
C30 C29 Eu1 170.6(5) . 2_665 ?
C40 C39 C38 124.0(7) . . ?
C47 C39 C38 116.2(7) . . ?
C47 C39 C40 119.7(8) . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C45 121.2(8) . . ?
C45 C44 H44 119.4 . . ?
O5 C15 O6 120.0(7) . . ?
O5 C15 C16 120.5(8) . . ?
O6 C15 C16 119.5(8) . . ?
C17 C16 C15 120.1(8) . . ?
C21 C16 C17 118.4(7) . . ?
C21 C16 C15 121.4(7) . . ?
C42 C43 H43 120.8 . . ?
C44 C43 C42 118.5(7) . . ?
C44 C43 H43 120.8 . . ?
C31 C30 C29 118.1(7) . . ?
C35 C30 C29 121.4(7) . . ?
C35 C30 C31 120.5(7) . . ?
C9 C14 H14 119.2 . . ?
C9 C14 C13 121.5(8) . . ?
C13 C14 H14 119.2 . . ?
C30 C31 H31 120.2 . . ?
C32 C31 C30 119.5(8) . . ?
C32 C31 H31 120.2 . . ?
N2 C46 C42 120.9(8) . . ?
N2 C46 C47 117.1(7) . . ?
C42 C46 C47 122.0(7) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C25 C24 C23 120.2(8) . . ?
C31 C32 H32 119.7 . . ?
C31 C32 C33 120.6(8) . . ?
C33 C32 H32 119.7 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.8(8) . . ?
C28 C27 H27 120.1 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.1(8) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 C14 118.4(8) . . ?
C12 C13 H13 120.8 . . ?
C38 C37 C36 119.6(8) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C3 C2 C7 118.7(8) . . ?
C3 C2 C1 120.6(8) . . ?
C7 C2 C1 120.7(8) . . ?
N2 C45 C44 120.8(7) . . ?
N2 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
N1 C47 C39 123.0(7) . . ?
N1 C47 C46 118.4(7) . . ?
C39 C47 C46 118.6(7) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.3(8) . . ?
C19 C18 H18 119.8 . . ?
C24 C23 C22 120.2(7) . . ?
C28 C23 C22 120.0(7) . . ?
C28 C23 C24 119.7(8) . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.1(8) . . ?
C4 C5 H5 120.0 . . ?
C27 C26 H26 119.8 . . ?
C25 C26 C27 120.4(8) . . ?
C25 C26 H26 119.8 . . ?
C33 C34 H34 119.7 . . ?
C33 C34 C35 120.5(8) . . ?
C35 C34 H34 119.7 . . ?
C3 C4 C5 120.2(9) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C27 C28 H28 120.1 . . ?
C23 C28 C27 119.8(8) . . ?
C23 C28 H28 120.1 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(9) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 H21 119.4 . . ?
C20 C21 C16 121.1(8) . . ?
C20 C21 H21 119.4 . . ?
C32 C33 H33 120.2 . . ?
C34 C33 C32 119.7(8) . . ?
C34 C33 H33 120.2 . . ?
C30 C35 C34 119.1(8) . . ?
C30 C35 H35 120.5 . . ?
C34 C35 H35 120.5 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.1(8) . . ?
C26 C25 H25 120.0 . . ?
C10 C11 C12 121.3(9) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?

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
Eu1 O7 C22 O8 17.7(7) . . . . ?
Eu1 O7 C22 C23 -158.2(7) . . . . ?
Eu1 O8 C22 O7 -17.9(7) . . . . ?
Eu1 O8 C22 C23 158.0(6) . . . . ?
Eu1 O9 C29 Eu1 -151.9(12) . . . 2_665 ?
Eu1 O9 C29 O10 6.5(7) 2_665 . . . ?
Eu1 O9 C29 O10 -145.4(9) . . . . ?
Eu1 O9 C29 C30 -171.0(6) 2_665 . . . ?
Eu1 O9 C29 C30 37.1(16) . . . . ?
Eu1 O4 C8 O3 12.8(16) . . . . ?
Eu1 O4 C8 C9 -165.6(8) . . . . ?
Eu1 O10 C29 O9 -7.1(8) 2_665 . . . ?
Eu1 O10 C29 C30 170.5(6) 2_665 . . . ?
Eu1 O6 C15 O5 -114.1(8) . . . . ?
Eu1 O6 C15 C16 66.5(11) . . . . ?
Eu1 O2 C1 O1 43.5(12) . . . . ?
Eu1 O2 C1 C2 -137.0(6) . . . . ?
Zn1 O3 C8 O4 8.7(10) . . . . ?
Zn1 O3 C8 C9 -173.0(5) . . . . ?
Zn1 O5 C15 O6 -3.1(7) . . . . ?
Zn1 O5 C15 C16 176.3(6) . . . . ?
Zn1 O1 C1 O2 -16.1(11) . . . . ?
Zn1 O1 C1 C2 164.4(5) . . . . ?
Zn1 O6 C15 O5 2.9(7) . . . . ?
Zn1 O6 C15 C16 -176.5(6) . . . . ?
Zn1 N1 C36 C37 -176.0(6) . . . . ?
Zn1 N1 C47 C39 175.2(6) . . . . ?
Zn1 N1 C47 C46 -5.7(8) . . . . ?
Zn1 N2 C46 C42 -177.4(5) . . . . ?
Zn1 N2 C46 C47 0.7(8) . . . . ?
Zn1 N2 C45 C44 179.8(6) . . . . ?
O7 C22 C23 C24 8.7(12) . . . . ?
O7 C22 C23 C28 -175.5(7) . . . . ?
O8 C22 C23 C24 -167.2(8) . . . . ?
O8 C22 C23 C28 8.6(12) . . . . ?
O3 C8 C9 C10 13.0(11) . . . . ?
O3 C8 C9 C14 -166.9(7) . . . . ?
O5 C15 C16 C17 15.7(11) . . . . ?
O5 C15 C16 C21 -164.5(7) . . . . ?
O9 C29 C30 C31 -160.4(7) . . . . ?
O9 C29 C30 C35 21.0(11) . . . . ?
O4 C8 C9 C10 -168.5(7) . . . . ?
O4 C8 C9 C14 11.5(11) . . . . ?
O10 C29 C30 C31 22.0(11) . . . . ?
O10 C29 C30 C35 -156.6(7) . . . . ?
O1 C1 C2 C3 -26.4(10) . . . . ?
O1 C1 C2 C7 155.7(7) . . . . ?
O6 C15 C16 C17 -164.9(7) . . . . ?
O6 C15 C16 C21 14.9(11) . . . . ?
N1 C36 C37 C38 -0.4(12) . . . . ?
O2 C1 C2 C3 154.0(7) . . . . ?
O2 C1 C2 C7 -23.8(10) . . . . ?
N2 C46 C47 N1 3.3(10) . . . . ?
N2 C46 C47 C39 -177.5(6) . . . . ?
C8 C9 C10 C11 179.8(8) . . . . ?
C8 C9 C14 C13 179.5(8) . . . . ?
C38 C39 C47 N1 2.5(11) . . . . ?
C38 C39 C47 C46 -176.7(7) . . . . ?
C9 C10 C11 C12 0.4(15) . . . . ?
C9 C14 C13 C12 1.0(13) . . . . ?
C6 C7 C2 C3 0.1(12) . . . . ?
C6 C7 C2 C1 178.0(7) . . . . ?
C6 C5 C4 C3 -2.0(14) . . . . ?
C7 C6 C5 C4 2.8(13) . . . . ?
C22 C23 C28 C27 -174.8(8) . . . . ?
C42 C41 C40 C39 0.3(12) . . . . ?
C42 C46 C47 N1 -178.6(7) . . . . ?
C42 C46 C47 C39 0.5(11) . . . . ?
C10 C9 C14 C13 -0.4(12) . . . . ?
C41 C42 C43 C44 -177.9(8) . . . . ?
C41 C42 C46 N2 176.7(7) . . . . ?
C41 C42 C46 C47 -1.2(11) . . . . ?
C41 C40 C39 C38 176.0(8) . . . . ?
C41 C40 C39 C47 -1.0(12) . . . . ?
C17 C16 C21 C20 -0.3(12) . . . . ?
C36 N1 C47 C39 -2.8(11) . . . . ?
C36 N1 C47 C46 176.3(7) . . . . ?
C19 C20 C21 C16 2.8(13) . . . . ?
C40 C39 C47 N1 179.7(7) . . . . ?
C40 C39 C47 C46 0.6(11) . . . . ?
C29 C30 C31 C32 -179.0(8) . . . . ?
C29 C30 C35 C34 177.1(8) . . . . ?
C39 C38 C37 C36 0.1(11) . . . . ?
C15 C16 C21 C20 179.9(8) . . . . ?
C16 C17 C18 C19 1.4(12) . . . . ?
C43 C42 C41 C40 -179.9(8) . . . . ?
C43 C42 C46 N2 -2.6(11) . . . . ?
C43 C42 C46 C47 179.5(7) . . . . ?
C43 C44 C45 N2 -2.8(12) . . . . ?
C30 C31 C32 C33 1.7(13) . . . . ?
C14 C9 C10 C11 -0.3(13) . . . . ?
C31 C30 C35 C34 -1.5(12) . . . . ?
C31 C32 C33 C34 -1.1(14) . . . . ?
C46 N2 C45 C44 1.6(11) . . . . ?
C46 C42 C41 C40 0.8(11) . . . . ?
C46 C42 C43 C44 1.3(11) . . . . ?
C24 C23 C28 C27 1.0(12) . . . . ?
C27 C26 C25 C24 2.3(15) . . . . ?
C13 C12 C11 C10 0.1(16) . . . . ?
C37 C38 C39 C40 -178.2(8) . . . . ?
C37 C38 C39 C47 -1.1(11) . . . . ?
C2 C3 C4 C5 0.2(14) . . . . ?
C45 N2 C46 C42 1.1(10) . . . . ?
C45 N2 C46 C47 179.2(7) . . . . ?
C45 C44 C43 C42 1.3(12) . . . . ?
C47 N1 C36 C37 1.7(11) . . . . ?
C18 C17 C16 C15 178.0(7) . . . . ?
C18 C17 C16 C21 -1.8(11) . . . . ?
C18 C19 C20 C21 -3.2(13) . . . . ?
C23 C24 C25 C26 0.1(14) . . . . ?
C5 C6 C7 C2 -1.8(13) . . . . ?
C26 C27 C28 C23 1.4(13) . . . . ?
C4 C3 C2 C7 0.7(12) . . . . ?
C4 C3 C2 C1 -177.2(8) . . . . ?
C28 C27 C26 C25 -3.0(14) . . . . ?
C20 C19 C18 C17 1.2(13) . . . . ?
C33 C34 C35 C30 2.1(13) . . . . ?
C35 C30 C31 C32 -0.4(12) . . . . ?
C35 C34 C33 C32 -0.8(14) . . . . ?
C25 C24 C23 C22 174.1(8) . . . . ?
C25 C24 C23 C28 -1.7(13) . . . . ?
C11 C12 C13 C14 -0.9(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
