# Supplementary Information (SI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
# 
#######################################################################

data_q
_database_code_depnum_ccdc_archive 'CCDC 2301532'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2023-10-16 deposited with the CCDC.	2025-01-03 downloaded from the CCDC.
;
_audit_creation_date             2023-10-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C57 H35 Eu F6 N2 O6, C H Cl3'
_chemical_formula_sum            'C58 H36 Cl3 Eu F6 N2 O6'
_chemical_formula_weight         1229.20
_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'
Cl Cl 0.1484 0.1585 '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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   12.7998(4)
_cell_length_b                   12.8604(4)
_cell_length_c                   16.3328(5)
_cell_angle_alpha                98.3270(10)
_cell_angle_beta                 94.9730(10)
_cell_angle_gamma                109.7010(10)
_cell_volume                     2477.85(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.37
_cell_measurement_theta_min      2.27
_exptl_absorpt_coefficient_mu    1.507
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.5074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1499 before and 0.0580 after correction.
The Ratio of minimum to maximum transmission is 0.7833.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.123
_exptl_crystal_size_mid          0.109
_exptl_crystal_size_min          0.099
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_unetI/netI     0.0774
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37485
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.71
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III detector'
_diffrn_measurement_method       'phi and omega shutterless scans'
_diffrn_radiation_monochromator  ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                10853
_reflns_number_total             13171
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.235
_refine_diff_density_min         -1.620
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         13171
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0411
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0297P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0884
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Cl1-C1S \\sim Cl3S-C1S
 with sigma of 0.02
3. Others
 Fixed Sof: Cl3S(0.55) H1S(0.55) H1SA(0.45) Cl1(0.45)
4.a Ternary CH refined with riding coordinates:
 C1S(H1S), C1S(H1SA)
4.b Aromatic/amide H refined with riding coordinates:
 C15(H15), C2(H2), C9(H9), C24(H24), C45(H45), C14(H14), C39(H39), C17(H17),
 C5(H5), C26(H26), C46(H46), C32(H32), C50(H50), C21(H21), C55(H55), C23(H23),
 C8(H8), C20(H20), C11(H11), C47(H47), C53(H53), C54(H54), C30(H30), C6(H6),
 C41(H41), C35(H35), C48(H48), C38(H38), C12(H12), C27(H27), C36(H36), C44(H44),
  C42(H42), C51(H51), C29(H29)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.362849(13) 0.594173(13) 0.734264(9) 0.01294(5) Uani 1 1 d . . .
Cl2S Cl 0.03322(9) 1.03465(9) 0.73012(6) 0.0437(3) Uani 1 1 d . A .
Cl1S Cl 0.05637(10) 0.99249(9) 0.89750(6) 0.0454(3) Uani 1 1 d . A .
Cl3S Cl 0.2532(3) 1.0672(3) 0.8046(3) 0.0666(10) Uani 0.55 1 d PD A 1
F1 F 0.11868(17) -0.05393(15) 0.41996(12) 0.0278(4) Uani 1 1 d . . .
F2 F 0.58778(18) 0.91186(16) 0.32895(12) 0.0317(5) Uani 1 1 d . . .
F3 F 0.24961(18) 0.14628(16) 1.08204(12) 0.0305(5) Uani 1 1 d . . .
O2 O 0.42587(18) 0.64610(17) 0.61031(13) 0.0186(5) Uani 1 1 d . . .
F5 F 0.01025(18) 0.75226(18) 1.12574(12) 0.0348(5) Uani 1 1 d . . .
F4 F 1.05902(16) 0.70810(19) 0.79472(13) 0.0336(5) Uani 1 1 d . . .
O5 O 0.30179(18) 0.66670(17) 0.85531(13) 0.0186(5) Uani 1 1 d . . .
O6 O 0.46893(17) 0.78465(17) 0.77668(13) 0.0174(4) Uani 1 1 d . . .
O3 O 0.36148(18) 0.46712(18) 0.82521(13) 0.0188(5) Uani 1 1 d . . .
O1 O 0.32095(18) 0.43082(17) 0.63225(12) 0.0179(4) Uani 1 1 d . . .
F6 F 0.75345(18) 1.27610(16) 0.75951(14) 0.0374(5) Uani 1 1 d . . .
O4 O 0.54251(18) 0.58891(18) 0.75757(13) 0.0185(5) Uani 1 1 d . . .
N1 N 0.1484(2) 0.4818(2) 0.70583(15) 0.0157(5) Uani 1 1 d . . .
N2 N 0.2326(2) 0.6884(2) 0.66507(15) 0.0158(5) Uani 1 1 d . . .
C4 C 0.2656(2) 0.2845(2) 0.51571(18) 0.0148(6) Uani 1 1 d . . .
C57 C 0.0789(2) 0.5160(2) 0.65778(18) 0.0152(6) Uani 1 1 d . . .
C15 C 0.4570(3) 0.6452(3) 0.39114(19) 0.0189(6) Uani 1 1 d . . .
H15 H 0.4295 0.5672 0.3679 0.023 Uiso 1 1 calc R . .
C56 C 0.1229(3) 0.6264(3) 0.63761(18) 0.0159(6) Uani 1 1 d . . .
C40 C 0.5416(3) 0.9814(3) 0.81078(18) 0.0170(6) Uani 1 1 d . . .
C2 C 0.3568(2) 0.4864(2) 0.50307(18) 0.0154(6) Uani 1 1 d . . .
H2 H 0.3467 0.4605 0.4444 0.019 Uiso 1 1 calc R . .
C1 C 0.3174(2) 0.4070(2) 0.55433(19) 0.0149(6) Uani 1 1 d . . .
C9 C 0.2694(3) 0.2413(3) 0.43308(19) 0.0183(6) Uani 1 1 d . . .
H9 H 0.3074 0.2911 0.3987 0.022 Uiso 1 1 calc R . .
C24 C 0.4521(3) 0.3150(3) 0.96937(19) 0.0224(7) Uani 1 1 d . . .
H24 H 0.5283 0.3312 0.9618 0.027 Uiso 1 1 calc R . .
C3 C 0.4099(2) 0.6013(2) 0.53362(18) 0.0131(6) Uani 1 1 d . . .
C10 C 0.4513(2) 0.6807(2) 0.47503(18) 0.0149(6) Uani 1 1 d . . .
C45 C 0.5428(3) 1.0837(3) 0.8517(2) 0.0208(7) Uani 1 1 d . . .
H45 H 0.4942 1.0856 0.8922 0.025 Uiso 1 1 calc R . .
C49 C -0.0333(3) 0.4482(3) 0.62749(19) 0.0189(6) Uani 1 1 d . . .
C14 C 0.5024(3) 0.7230(3) 0.34167(19) 0.0233(7) Uani 1 1 d . . .
H14 H 0.5069 0.6992 0.2847 0.028 Uiso 1 1 calc R . .
C39 C 0.2230(3) 0.8616(3) 0.9981(2) 0.0256(7) Uani 1 1 d . . .
H39 H 0.2672 0.9318 0.9859 0.031 Uiso 1 1 calc R . .
C17 C 0.5481(3) 0.4785(3) 0.86030(18) 0.0179(6) Uani 1 1 d . . .
H17 H 0.5957 0.4541 0.8944 0.021 Uiso 1 1 calc R . .
C25 C 0.7199(3) 0.5861(3) 0.80283(18) 0.0170(6) Uani 1 1 d . . .
C7 C 0.1661(3) 0.0581(3) 0.4516(2) 0.0191(6) Uani 1 1 d . . .
C5 C 0.2099(3) 0.2095(3) 0.56503(19) 0.0192(6) Uani 1 1 d . . .
H5 H 0.2070 0.2371 0.6217 0.023 Uiso 1 1 calc R . .
C19 C 0.3889(3) 0.3658(2) 0.92799(18) 0.0165(6) Uani 1 1 d . . .
C26 C 0.7690(3) 0.6837(3) 0.77111(19) 0.0209(7) Uani 1 1 d . . .
H26 H 0.7232 0.7222 0.7513 0.025 Uiso 1 1 calc R . .
C16 C 0.4337(3) 0.4415(2) 0.86741(17) 0.0155(6) Uani 1 1 d . . .
C46 C 0.1066(3) 0.3794(3) 0.72392(19) 0.0192(6) Uani 1 1 d . . .
H46 H 0.1541 0.3552 0.7584 0.023 Uiso 1 1 calc R . .
C33 C 0.4638(2) 0.8700(2) 0.82319(18) 0.0147(6) Uani 1 1 d . . .
C18 C 0.5967(3) 0.5500(2) 0.80552(18) 0.0165(6) Uani 1 1 d . . .
C31 C 0.3124(3) 0.7622(3) 0.89500(18) 0.0163(6) Uani 1 1 d . . .
C32 C 0.3901(3) 0.8642(3) 0.88237(18) 0.0185(6) Uani 1 1 d . . .
H32 H 0.3926 0.9323 0.9156 0.022 Uiso 1 1 calc R . .
C50 C -0.1033(3) 0.4897(3) 0.5786(2) 0.0226(7) Uani 1 1 d . . .
H50 H -0.1790 0.4436 0.5580 0.027 Uiso 1 1 calc R . .
C21 C 0.2312(3) 0.2727(3) 0.99640(18) 0.0218(7) Uani 1 1 d . . .
H21 H 0.1564 0.2592 1.0070 0.026 Uiso 1 1 calc R . .
C55 C 0.2714(3) 0.7908(3) 0.64700(19) 0.0199(7) Uani 1 1 d . . .
H55 H 0.3479 0.8354 0.6665 0.024 Uiso 1 1 calc R . .
C23 C 0.4059(3) 0.2406(3) 1.02190(19) 0.0244(7) Uani 1 1 d . . .
H23 H 0.4490 0.2048 1.0492 0.029 Uiso 1 1 calc R . .
C8 C 0.2193(3) 0.1283(3) 0.4001(2) 0.0214(7) Uani 1 1 d . . .
H8 H 0.2214 0.0998 0.3435 0.026 Uiso 1 1 calc R . .
C20 C 0.2793(3) 0.3456(3) 0.94354(19) 0.0196(6) Uani 1 1 d . . .
H20 H 0.2362 0.3824 0.9175 0.024 Uiso 1 1 calc R . .
C52 C 0.0515(3) 0.6648(3) 0.58968(19) 0.0198(6) Uani 1 1 d . . .
C11 C 0.4915(3) 0.7956(3) 0.50766(19) 0.0182(6) Uani 1 1 d . . .
H11 H 0.4879 0.8206 0.5647 0.022 Uiso 1 1 calc R . .
C34 C 0.2354(3) 0.7643(3) 0.95901(18) 0.0175(6) Uani 1 1 d . . .
C47 C -0.0021(3) 0.3061(3) 0.69547(19) 0.0228(7) Uani 1 1 d . . .
H47 H -0.0272 0.2333 0.7093 0.027 Uiso 1 1 calc R . .
C53 C 0.0968(3) 0.7739(3) 0.5727(2) 0.0242(7) Uani 1 1 d . . .
H53 H 0.0511 0.8037 0.5417 0.029 Uiso 1 1 calc R . .
C37 C 0.0857(3) 0.7568(3) 1.0706(2) 0.0251(7) Uani 1 1 d . . .
C54 C 0.2068(3) 0.8367(3) 0.6012(2) 0.0247(7) Uani 1 1 d . . .
H54 H 0.2388 0.9105 0.5900 0.030 Uiso 1 1 calc R . .
C30 C 0.7873(3) 0.5296(3) 0.8295(2) 0.0224(7) Uani 1 1 d . . .
H30 H 0.7551 0.4626 0.8507 0.027 Uiso 1 1 calc R . .
C22 C 0.2966(3) 0.2208(3) 1.03282(18) 0.0224(7) Uani 1 1 d . . .
C6 C 0.1589(3) 0.0961(3) 0.5330(2) 0.0218(7) Uani 1 1 d . . .
H6 H 0.1199 0.0456 0.5666 0.026 Uiso 1 1 calc R . .
C41 C 0.6136(3) 0.9802(3) 0.7519(2) 0.0264(8) Uani 1 1 d . . .
H41 H 0.6134 0.9103 0.7234 0.032 Uiso 1 1 calc R . .
C35 C 0.1718(3) 0.6620(3) 0.9790(2) 0.0242(7) Uani 1 1 d . . .
H35 H 0.1802 0.5945 0.9537 0.029 Uiso 1 1 calc R . .
C48 C -0.0727(3) 0.3399(3) 0.64730(19) 0.0225(7) Uani 1 1 d . . .
H48 H -0.1476 0.2909 0.6274 0.027 Uiso 1 1 calc R . .
C13 C 0.5408(3) 0.8348(3) 0.37648(19) 0.0203(7) Uani 1 1 d . . .
C38 C 0.1479(3) 0.8591(3) 1.0546(2) 0.0279(8) Uani 1 1 d . . .
H38 H 0.1399 0.9262 1.0812 0.033 Uiso 1 1 calc R . .
C12 C 0.5365(3) 0.8740(3) 0.4585(2) 0.0196(6) Uani 1 1 d . . .
H12 H 0.5636 0.9523 0.4807 0.024 Uiso 1 1 calc R . .
C43 C 0.6837(3) 1.1783(3) 0.7761(2) 0.0243(7) Uani 1 1 d . . .
C27 C 0.8834(3) 0.7254(3) 0.7680(2) 0.0246(7) Uani 1 1 d . . .
H27 H 0.9168 0.7920 0.7467 0.030 Uiso 1 1 calc R . .
C36 C 0.0964(3) 0.6581(3) 1.0357(2) 0.0279(8) Uani 1 1 d . . .
H36 H 0.0534 0.5889 1.0499 0.033 Uiso 1 1 calc R . .
C44 C 0.6137(3) 1.1836(3) 0.8343(2) 0.0235(7) Uani 1 1 d . . .
H44 H 0.6138 1.2539 0.8619 0.028 Uiso 1 1 calc R . .
C42 C 0.6858(3) 1.0795(3) 0.7339(2) 0.0307(8) Uani 1 1 d . . .
H42 H 0.7349 1.0787 0.6937 0.037 Uiso 1 1 calc R . .
C51 C -0.0619(3) 0.5946(3) 0.5617(2) 0.0234(7) Uani 1 1 d . . .
H51 H -0.1097 0.6219 0.5304 0.028 Uiso 1 1 calc R . .
C29 C 0.9018(3) 0.5698(3) 0.8257(2) 0.0259(7) Uani 1 1 d . . .
H29 H 0.9479 0.5301 0.8428 0.031 Uiso 1 1 calc R . .
C28 C 0.9464(3) 0.6673(3) 0.7967(2) 0.0242(7) Uani 1 1 d . . .
C1S C 0.1239(3) 1.0653(4) 0.8240(2) 0.0410(10) Uani 1 1 d D . .
H1S H 0.1361 1.1456 0.8468 0.049 Uiso 0.55 1 calc PR A 1
H1SA H 0.1565 1.1480 0.8461 0.049 Uiso 0.45 1 calc PR A 2
Cl1 Cl 0.2316(3) 1.0075(3) 0.8082(2) 0.0555(10) Uani 0.45 1 d PD A 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
Eu1 O2 2.347(2) . ?
Eu1 O5 2.369(2) . ?
Eu1 O6 2.330(2) . ?
Eu1 O3 2.359(2) . ?
Eu1 O1 2.356(2) . ?
Eu1 O4 2.323(2) . ?
Eu1 N1 2.598(3) . ?
Eu1 N2 2.637(2) . ?
Cl2S C1S 1.749(4) . ?
Cl1S C1S 1.739(4) . ?
Cl3S C1S 1.705(5) . ?
F1 C7 1.360(3) . ?
F2 C13 1.359(3) . ?
F3 C22 1.358(3) . ?
O2 C3 1.269(3) . ?
F5 C37 1.370(4) . ?
F4 C28 1.362(4) . ?
O5 C31 1.260(4) . ?
O6 C33 1.266(3) . ?
O3 C16 1.265(4) . ?
O1 C1 1.258(3) . ?
F6 C43 1.355(3) . ?
O4 C18 1.264(3) . ?
N1 C57 1.357(4) . ?
N1 C46 1.332(4) . ?
N2 C56 1.357(4) . ?
N2 C55 1.329(4) . ?
C4 C1 1.501(4) . ?
C4 C9 1.394(4) . ?
C4 C5 1.395(4) . ?
C57 C56 1.439(4) . ?
C57 C49 1.406(4) . ?
C15 H15 0.9500 . ?
C15 C10 1.396(4) . ?
C15 C14 1.384(4) . ?
C56 C52 1.409(4) . ?
C40 C45 1.381(4) . ?
C40 C33 1.498(4) . ?
C40 C41 1.390(4) . ?
C2 H2 0.9500 . ?
C2 C1 1.404(4) . ?
C2 C3 1.394(4) . ?
C9 H9 0.9500 . ?
C9 C8 1.378(4) . ?
C24 H24 0.9500 . ?
C24 C19 1.388(4) . ?
C24 C23 1.395(4) . ?
C3 C10 1.499(4) . ?
C10 C11 1.394(4) . ?
C45 H45 0.9500 . ?
C45 C44 1.385(4) . ?
C49 C50 1.431(4) . ?
C49 C48 1.409(4) . ?
C14 H14 0.9500 . ?
C14 C13 1.367(5) . ?
C39 H39 0.9500 . ?
C39 C34 1.385(4) . ?
C39 C38 1.384(4) . ?
C17 H17 0.9500 . ?
C17 C16 1.399(4) . ?
C17 C18 1.408(4) . ?
C25 C26 1.397(4) . ?
C25 C18 1.493(4) . ?
C25 C30 1.383(4) . ?
C7 C8 1.376(4) . ?
C7 C6 1.371(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(4) . ?
C19 C16 1.502(4) . ?
C19 C20 1.392(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.388(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.384(4) . ?
C33 C32 1.400(4) . ?
C31 C32 1.410(4) . ?
C31 C34 1.501(4) . ?
C32 H32 0.9500 . ?
C50 H50 0.9500 . ?
C50 C51 1.352(4) . ?
C21 H21 0.9500 . ?
C21 C20 1.393(4) . ?
C21 C22 1.380(5) . ?
C55 H55 0.9500 . ?
C55 C54 1.394(4) . ?
C23 H23 0.9500 . ?
C23 C22 1.367(5) . ?
C8 H8 0.9500 . ?
C20 H20 0.9500 . ?
C52 C53 1.405(4) . ?
C52 C51 1.418(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(4) . ?
C34 C35 1.396(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.366(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.365(5) . ?
C37 C38 1.365(5) . ?
C37 C36 1.369(5) . ?
C54 H54 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.390(5) . ?
C6 H6 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.389(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.388(5) . ?
C48 H48 0.9500 . ?
C13 C12 1.374(4) . ?
C38 H38 0.9500 . ?
C12 H12 0.9500 . ?
C43 C44 1.372(4) . ?
C43 C42 1.364(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.368(5) . ?
C36 H36 0.9500 . ?
C44 H44 0.9500 . ?
C42 H42 0.9500 . ?
C51 H51 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.363(5) . ?
C1S H1S 1.0000 . ?
C1S H1SA 1.0000 . ?
C1S Cl1 1.793(6) . ?

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 O5 140.34(7) . . ?
O2 Eu1 O3 142.54(7) . . ?
O2 Eu1 O1 71.03(7) . . ?
O2 Eu1 N1 109.71(7) . . ?
O2 Eu1 N2 70.66(7) . . ?
O5 Eu1 N1 78.02(7) . . ?
O5 Eu1 N2 80.26(7) . . ?
O6 Eu1 O2 77.34(7) . . ?
O6 Eu1 O5 70.63(7) . . ?
O6 Eu1 O3 120.29(7) . . ?
O6 Eu1 O1 146.84(7) . . ?
O6 Eu1 N1 133.05(8) . . ?
O6 Eu1 N2 78.20(8) . . ?
O3 Eu1 O5 75.79(7) . . ?
O3 Eu1 N1 82.94(7) . . ?
O3 Eu1 N2 141.30(7) . . ?
O1 Eu1 O5 142.26(7) . . ?
O1 Eu1 O3 81.90(7) . . ?
O1 Eu1 N1 69.25(8) . . ?
O1 Eu1 N2 99.96(7) . . ?
O4 Eu1 O2 80.92(7) . . ?
O4 Eu1 O5 114.11(7) . . ?
O4 Eu1 O6 78.91(7) . . ?
O4 Eu1 O3 71.81(7) . . ?
O4 Eu1 O1 86.43(8) . . ?
O4 Eu1 N1 147.23(8) . . ?
O4 Eu1 N2 146.68(7) . . ?
N1 Eu1 N2 62.46(8) . . ?
C3 O2 Eu1 137.43(19) . . ?
C31 O5 Eu1 136.98(19) . . ?
C33 O6 Eu1 138.61(19) . . ?
C16 O3 Eu1 136.7(2) . . ?
C1 O1 Eu1 137.20(19) . . ?
C18 O4 Eu1 138.1(2) . . ?
C57 N1 Eu1 120.43(19) . . ?
C46 N1 Eu1 120.9(2) . . ?
C46 N1 C57 117.4(3) . . ?
C56 N2 Eu1 119.33(19) . . ?
C55 N2 Eu1 123.1(2) . . ?
C55 N2 C56 117.2(3) . . ?
C9 C4 C1 123.7(3) . . ?
C9 C4 C5 118.0(3) . . ?
C5 C4 C1 118.3(3) . . ?
N1 C57 C56 118.1(3) . . ?
N1 C57 C49 122.7(3) . . ?
C49 C57 C56 119.2(3) . . ?
C10 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C10 120.4(3) . . ?
N2 C56 C57 118.0(3) . . ?
N2 C56 C52 123.0(3) . . ?
C52 C56 C57 119.1(3) . . ?
C45 C40 C33 124.0(3) . . ?
C45 C40 C41 118.8(3) . . ?
C41 C40 C33 117.1(3) . . ?
C1 C2 H2 118.2 . . ?
C3 C2 H2 118.2 . . ?
C3 C2 C1 123.5(3) . . ?
O1 C1 C4 116.0(3) . . ?
O1 C1 C2 124.5(3) . . ?
C2 C1 C4 119.5(3) . . ?
C4 C9 H9 119.2 . . ?
C8 C9 C4 121.6(3) . . ?
C8 C9 H9 119.2 . . ?
C19 C24 H24 119.3 . . ?
C19 C24 C23 121.3(3) . . ?
C23 C24 H24 119.3 . . ?
O2 C3 C2 124.0(3) . . ?
O2 C3 C10 115.6(3) . . ?
C2 C3 C10 120.4(3) . . ?
C15 C10 C3 123.3(3) . . ?
C11 C10 C15 118.8(3) . . ?
C11 C10 C3 117.8(3) . . ?
C40 C45 H45 119.6 . . ?
C40 C45 C44 120.9(3) . . ?
C44 C45 H45 119.6 . . ?
C57 C49 C50 120.2(3) . . ?
C57 C49 C48 117.5(3) . . ?
C48 C49 C50 122.3(3) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 C15 118.7(3) . . ?
C13 C14 H14 120.6 . . ?
C34 C39 H39 119.1 . . ?
C38 C39 H39 119.1 . . ?
C38 C39 C34 121.7(3) . . ?
C16 C17 H17 118.1 . . ?
C16 C17 C18 123.8(3) . . ?
C18 C17 H17 118.1 . . ?
C26 C25 C18 117.0(3) . . ?
C30 C25 C26 118.7(3) . . ?
C30 C25 C18 124.4(3) . . ?
F1 C7 C8 118.3(3) . . ?
F1 C7 C6 118.9(3) . . ?
C6 C7 C8 122.9(3) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 C4 121.2(3) . . ?
C6 C5 H5 119.4 . . ?
C24 C19 C16 122.9(3) . . ?
C24 C19 C20 118.4(3) . . ?
C20 C19 C16 118.7(3) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.2(3) . . ?
C27 C26 H26 119.4 . . ?
O3 C16 C17 124.4(3) . . ?
O3 C16 C19 115.3(3) . . ?
C17 C16 C19 120.3(3) . . ?
N1 C46 H46 118.1 . . ?
N1 C46 C47 123.8(3) . . ?
C47 C46 H46 118.1 . . ?
O6 C33 C40 115.7(3) . . ?
O6 C33 C32 123.7(3) . . ?
C32 C33 C40 120.5(3) . . ?
O4 C18 C17 124.0(3) . . ?
O4 C18 C25 115.9(3) . . ?
C17 C18 C25 120.0(3) . . ?
O5 C31 C32 124.3(3) . . ?
O5 C31 C34 116.3(3) . . ?
C32 C31 C34 119.4(3) . . ?
C33 C32 C31 123.1(3) . . ?
C33 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.1(3) . . ?
C51 C50 H50 120.0 . . ?
C20 C21 H21 121.3 . . ?
C22 C21 H21 121.3 . . ?
C22 C21 C20 117.4(3) . . ?
N2 C55 H55 118.0 . . ?
N2 C55 C54 124.0(3) . . ?
C54 C55 H55 118.0 . . ?
C24 C23 H23 121.1 . . ?
C22 C23 C24 117.8(3) . . ?
C22 C23 H23 121.1 . . ?
C9 C8 H8 121.0 . . ?
C7 C8 C9 118.0(3) . . ?
C7 C8 H8 121.0 . . ?
C19 C20 C21 121.5(3) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C56 C52 C51 120.0(3) . . ?
C53 C52 C56 117.4(3) . . ?
C53 C52 C51 122.6(3) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 C10 121.2(3) . . ?
C12 C11 H11 119.4 . . ?
C39 C34 C31 123.7(3) . . ?
C39 C34 C35 118.5(3) . . ?
C35 C34 C31 117.8(3) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 C46 119.2(3) . . ?
C48 C47 H47 120.4 . . ?
C52 C53 H53 120.2 . . ?
C54 C53 C52 119.5(3) . . ?
C54 C53 H53 120.2 . . ?
C38 C37 F5 118.6(3) . . ?
C38 C37 C36 123.4(3) . . ?
C36 C37 F5 118.0(3) . . ?
C55 C54 H54 120.6 . . ?
C53 C54 C55 118.9(3) . . ?
C53 C54 H54 120.6 . . ?
C25 C30 H30 119.7 . . ?
C25 C30 C29 120.6(3) . . ?
C29 C30 H30 119.7 . . ?
F3 C22 C21 118.1(3) . . ?
F3 C22 C23 118.5(3) . . ?
C23 C22 C21 123.4(3) . . ?
C7 C6 C5 118.3(3) . . ?
C7 C6 H6 120.9 . . ?
C5 C6 H6 120.9 . . ?
C40 C41 H41 119.4 . . ?
C42 C41 C40 121.2(3) . . ?
C42 C41 H41 119.4 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.5(3) . . ?
C36 C35 H35 119.8 . . ?
C49 C48 H48 120.3 . . ?
C47 C48 C49 119.4(3) . . ?
C47 C48 H48 120.3 . . ?
F2 C13 C14 119.2(3) . . ?
F2 C13 C12 117.6(3) . . ?
C14 C13 C12 123.2(3) . . ?
C39 C38 H38 121.2 . . ?
C37 C38 C39 117.6(3) . . ?
C37 C38 H38 121.2 . . ?
C11 C12 H12 121.1 . . ?
C13 C12 C11 117.8(3) . . ?
C13 C12 H12 121.1 . . ?
F6 C43 C44 118.2(3) . . ?
F6 C43 C42 118.7(3) . . ?
C42 C43 C44 123.1(3) . . ?
C26 C27 H27 121.2 . . ?
C28 C27 C26 117.6(3) . . ?
C28 C27 H27 121.2 . . ?
C37 C36 C35 118.3(3) . . ?
C37 C36 H36 120.9 . . ?
C35 C36 H36 120.9 . . ?
C45 C44 H44 120.9 . . ?
C43 C44 C45 118.3(3) . . ?
C43 C44 H44 120.9 . . ?
C41 C42 H42 121.1 . . ?
C43 C42 C41 117.7(3) . . ?
C43 C42 H42 121.1 . . ?
C50 C51 C52 121.5(3) . . ?
C50 C51 H51 119.3 . . ?
C52 C51 H51 119.3 . . ?
C30 C29 H29 120.7 . . ?
C28 C29 C30 118.6(3) . . ?
C28 C29 H29 120.7 . . ?
F4 C28 C27 118.2(3) . . ?
F4 C28 C29 118.6(3) . . ?
C29 C28 C27 123.2(3) . . ?
Cl2S C1S H1S 104.1 . . ?
Cl2S C1S H1SA 111.4 . . ?
Cl2S C1S Cl1 109.4(2) . . ?
Cl1S C1S Cl2S 110.9(2) . . ?
Cl1S C1S H1S 104.1 . . ?
Cl1S C1S H1SA 111.4 . . ?
Cl1S C1S Cl1 102.1(2) . . ?
Cl3S C1S Cl2S 110.4(3) . . ?
Cl3S C1S Cl1S 121.4(3) . . ?
Cl3S C1S H1S 104.1 . . ?
Cl3S C1S H1SA 89.6 . . ?
Cl3S C1S Cl1 24.09(16) . . ?
H1S C1S H1SA 14.6 . . ?
Cl1 C1S H1S 125.9 . . ?
Cl1 C1S H1SA 111.4 . . ?

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 C3 C2 -13.3(5) . . . . ?
Eu1 O2 C3 C10 166.13(19) . . . . ?
Eu1 O5 C31 C32 -12.9(5) . . . . ?
Eu1 O5 C31 C34 166.75(19) . . . . ?
Eu1 O6 C33 C40 -164.1(2) . . . . ?
Eu1 O6 C33 C32 15.1(5) . . . . ?
Eu1 O3 C16 C17 -10.0(5) . . . . ?
Eu1 O3 C16 C19 170.13(19) . . . . ?
Eu1 O1 C1 C4 -169.81(19) . . . . ?
Eu1 O1 C1 C2 9.4(5) . . . . ?
Eu1 O4 C18 C17 7.9(5) . . . . ?
Eu1 O4 C18 C25 -171.0(2) . . . . ?
Eu1 N1 C57 C56 -12.4(3) . . . . ?
Eu1 N1 C57 C49 167.8(2) . . . . ?
Eu1 N1 C46 C47 -166.3(2) . . . . ?
Eu1 N2 C56 C57 8.3(3) . . . . ?
Eu1 N2 C56 C52 -170.8(2) . . . . ?
Eu1 N2 C55 C54 171.7(2) . . . . ?
F1 C7 C8 C9 -178.6(3) . . . . ?
F1 C7 C6 C5 178.4(3) . . . . ?
F2 C13 C12 C11 -178.3(3) . . . . ?
O2 Eu1 O5 C31 -22.1(3) . . . . ?
O2 Eu1 O6 C33 139.0(3) . . . . ?
O2 Eu1 O3 C16 56.9(3) . . . . ?
O2 Eu1 O1 C1 -14.3(3) . . . . ?
O2 Eu1 O4 C18 -164.5(3) . . . . ?
O2 Eu1 N1 C57 -42.9(2) . . . . ?
O2 Eu1 N1 C46 124.2(2) . . . . ?
O2 Eu1 N2 C56 115.9(2) . . . . ?
O2 Eu1 N2 C55 -56.3(2) . . . . ?
O2 C3 C10 C15 169.5(3) . . . . ?
O2 C3 C10 C11 -6.9(4) . . . . ?
F5 C37 C38 C39 -179.5(3) . . . . ?
F5 C37 C36 C35 179.3(3) . . . . ?
O5 Eu1 O2 C3 -137.2(3) . . . . ?
O5 Eu1 O6 C33 -17.3(3) . . . . ?
O5 Eu1 O3 C16 -110.3(3) . . . . ?
O5 Eu1 O1 C1 138.0(3) . . . . ?
O5 Eu1 O4 C18 54.0(3) . . . . ?
O5 Eu1 N1 C57 96.6(2) . . . . ?
O5 Eu1 N1 C46 -96.3(2) . . . . ?
O5 Eu1 N2 C56 -91.4(2) . . . . ?
O5 Eu1 N2 C55 96.3(2) . . . . ?
O5 C31 C32 C33 0.5(5) . . . . ?
O5 C31 C34 C39 -169.1(3) . . . . ?
O5 C31 C34 C35 10.0(4) . . . . ?
O6 Eu1 O2 C3 -173.7(3) . . . . ?
O6 Eu1 O5 C31 15.9(3) . . . . ?
O6 Eu1 O3 C16 -53.2(3) . . . . ?
O6 Eu1 O1 C1 -32.5(4) . . . . ?
O6 Eu1 O4 C18 116.8(3) . . . . ?
O6 Eu1 N1 C57 48.0(2) . . . . ?
O6 Eu1 N1 C46 -144.9(2) . . . . ?
O6 Eu1 N2 C56 -163.5(2) . . . . ?
O6 Eu1 N2 C55 24.2(2) . . . . ?
O6 C33 C32 C31 -1.2(5) . . . . ?
O3 Eu1 O2 C3 62.4(3) . . . . ?
O3 Eu1 O5 C31 145.7(3) . . . . ?
O3 Eu1 O6 C33 -76.8(3) . . . . ?
O3 Eu1 O1 C1 -168.1(3) . . . . ?
O3 Eu1 O4 C18 -10.5(3) . . . . ?
O3 Eu1 N1 C57 173.5(2) . . . . ?
O3 Eu1 N1 C46 -19.4(2) . . . . ?
O3 Eu1 N2 C56 -39.2(3) . . . . ?
O3 Eu1 N2 C55 148.5(2) . . . . ?
O1 Eu1 O2 C3 16.4(3) . . . . ?
O1 Eu1 O5 C31 -158.7(3) . . . . ?
O1 Eu1 O6 C33 156.6(3) . . . . ?
O1 Eu1 O3 C16 100.4(3) . . . . ?
O1 Eu1 O4 C18 -93.1(3) . . . . ?
O1 Eu1 N1 C57 -102.6(2) . . . . ?
O1 Eu1 N1 C46 64.5(2) . . . . ?
O1 Eu1 N2 C56 50.2(2) . . . . ?
O1 Eu1 N2 C55 -122.0(2) . . . . ?
F6 C43 C44 C45 -179.6(3) . . . . ?
F6 C43 C42 C41 -180.0(3) . . . . ?
O4 Eu1 O2 C3 105.7(3) . . . . ?
O4 Eu1 O5 C31 83.5(3) . . . . ?
O4 Eu1 O6 C33 -137.9(3) . . . . ?
O4 Eu1 O3 C16 11.5(3) . . . . ?
O4 Eu1 O1 C1 -95.9(3) . . . . ?
O4 Eu1 N1 C57 -147.19(19) . . . . ?
O4 Eu1 N1 C46 19.9(3) . . . . ?
O4 Eu1 N2 C56 149.00(19) . . . . ?
O4 Eu1 N2 C55 -23.3(3) . . . . ?
N1 Eu1 O2 C3 -42.2(3) . . . . ?
N1 Eu1 O5 C31 -128.6(3) . . . . ?
N1 Eu1 O6 C33 33.7(3) . . . . ?
N1 Eu1 O3 C16 170.3(3) . . . . ?
N1 Eu1 O1 C1 106.5(3) . . . . ?
N1 Eu1 O4 C18 -52.0(4) . . . . ?
N1 Eu1 N2 C56 -9.9(2) . . . . ?
N1 Eu1 N2 C55 177.8(3) . . . . ?
N1 C57 C56 N2 2.5(4) . . . . ?
N1 C57 C56 C52 -178.3(3) . . . . ?
N1 C57 C49 C50 178.6(3) . . . . ?
N1 C57 C49 C48 -1.3(5) . . . . ?
N1 C46 C47 C48 -1.3(5) . . . . ?
N2 Eu1 O2 C3 -92.0(3) . . . . ?
N2 Eu1 O5 C31 -64.9(3) . . . . ?
N2 Eu1 O6 C33 66.4(3) . . . . ?
N2 Eu1 O3 C16 -163.8(3) . . . . ?
N2 Eu1 O1 C1 51.1(3) . . . . ?
N2 Eu1 O4 C18 164.1(3) . . . . ?
N2 Eu1 N1 C57 11.4(2) . . . . ?
N2 Eu1 N1 C46 178.5(2) . . . . ?
N2 C56 C52 C53 -2.2(5) . . . . ?
N2 C56 C52 C51 178.8(3) . . . . ?
N2 C55 C54 C53 0.0(5) . . . . ?
C4 C9 C8 C7 -0.8(5) . . . . ?
C4 C5 C6 C7 1.2(5) . . . . ?
C57 N1 C46 C47 1.1(5) . . . . ?
C57 C56 C52 C53 178.7(3) . . . . ?
C57 C56 C52 C51 -0.3(5) . . . . ?
C57 C49 C50 C51 -0.3(5) . . . . ?
C57 C49 C48 C47 1.0(5) . . . . ?
C15 C10 C11 C12 0.0(5) . . . . ?
C15 C14 C13 F2 178.6(3) . . . . ?
C15 C14 C13 C12 0.0(5) . . . . ?
C56 N2 C55 C54 -0.8(5) . . . . ?
C56 C57 C49 C50 -1.2(4) . . . . ?
C56 C57 C49 C48 178.9(3) . . . . ?
C56 C52 C53 C54 1.4(5) . . . . ?
C56 C52 C51 C50 -1.3(5) . . . . ?
C40 C45 C44 C43 -0.7(5) . . . . ?
C40 C33 C32 C31 177.9(3) . . . . ?
C40 C41 C42 C43 0.0(6) . . . . ?
C2 C3 C10 C15 -11.1(4) . . . . ?
C2 C3 C10 C11 172.5(3) . . . . ?
C1 C4 C9 C8 -179.1(3) . . . . ?
C1 C4 C5 C6 179.0(3) . . . . ?
C1 C2 C3 O2 -1.6(5) . . . . ?
C1 C2 C3 C10 179.0(3) . . . . ?
C9 C4 C1 O1 -170.3(3) . . . . ?
C9 C4 C1 C2 10.5(4) . . . . ?
C9 C4 C5 C6 -0.6(5) . . . . ?
C24 C19 C16 O3 169.4(3) . . . . ?
C24 C19 C16 C17 -10.5(5) . . . . ?
C24 C19 C20 C21 -2.7(5) . . . . ?
C24 C23 C22 F3 178.3(3) . . . . ?
C24 C23 C22 C21 -1.7(5) . . . . ?
C3 C2 C1 O1 3.4(5) . . . . ?
C3 C2 C1 C4 -177.5(3) . . . . ?
C3 C10 C11 C12 176.6(3) . . . . ?
C10 C15 C14 C13 -0.3(5) . . . . ?
C10 C11 C12 C13 -0.3(5) . . . . ?
C45 C40 C33 O6 175.5(3) . . . . ?
C45 C40 C33 C32 -3.7(5) . . . . ?
C45 C40 C41 C42 0.0(5) . . . . ?
C49 C57 C56 N2 -177.6(3) . . . . ?
C49 C57 C56 C52 1.5(4) . . . . ?
C49 C50 C51 C52 1.6(5) . . . . ?
C14 C15 C10 C3 -176.0(3) . . . . ?
C14 C15 C10 C11 0.4(5) . . . . ?
C14 C13 C12 C11 0.3(5) . . . . ?
C39 C34 C35 C36 1.2(5) . . . . ?
C25 C26 C27 C28 0.3(5) . . . . ?
C25 C30 C29 C28 1.4(5) . . . . ?
C5 C4 C1 O1 10.2(4) . . . . ?
C5 C4 C1 C2 -169.1(3) . . . . ?
C5 C4 C9 C8 0.4(5) . . . . ?
C19 C24 C23 C22 -1.3(5) . . . . ?
C26 C25 C18 O4 20.4(4) . . . . ?
C26 C25 C18 C17 -158.5(3) . . . . ?
C26 C25 C30 C29 0.7(5) . . . . ?
C26 C27 C28 F4 -179.4(3) . . . . ?
C26 C27 C28 C29 1.9(5) . . . . ?
C16 C17 C18 O4 0.6(5) . . . . ?
C16 C17 C18 C25 179.4(3) . . . . ?
C16 C19 C20 C21 177.4(3) . . . . ?
C46 N1 C57 C56 -179.9(3) . . . . ?
C46 N1 C57 C49 0.3(4) . . . . ?
C46 C47 C48 C49 0.2(5) . . . . ?
C33 C40 C45 C44 -177.0(3) . . . . ?
C33 C40 C41 C42 177.6(3) . . . . ?
C18 C17 C16 O3 0.6(5) . . . . ?
C18 C17 C16 C19 -179.6(3) . . . . ?
C18 C25 C26 C27 178.4(3) . . . . ?
C18 C25 C30 C29 -179.3(3) . . . . ?
C31 C34 C35 C36 -177.9(3) . . . . ?
C32 C31 C34 C39 10.6(5) . . . . ?
C32 C31 C34 C35 -170.4(3) . . . . ?
C50 C49 C48 C47 -178.9(3) . . . . ?
C55 N2 C56 C57 -179.0(3) . . . . ?
C55 N2 C56 C52 1.9(4) . . . . ?
C23 C24 C19 C16 -176.6(3) . . . . ?
C23 C24 C19 C20 3.4(5) . . . . ?
C8 C7 C6 C5 -1.7(5) . . . . ?
C20 C19 C16 O3 -10.6(4) . . . . ?
C20 C19 C16 C17 169.5(3) . . . . ?
C20 C21 C22 F3 -177.6(3) . . . . ?
C20 C21 C22 C23 2.4(5) . . . . ?
C52 C53 C54 C55 -0.4(5) . . . . ?
C34 C39 C38 C37 -0.1(5) . . . . ?
C34 C31 C32 C33 -179.0(3) . . . . ?
C34 C35 C36 C37 0.5(5) . . . . ?
C53 C52 C51 C50 179.8(3) . . . . ?
C30 C25 C26 C27 -1.5(5) . . . . ?
C30 C25 C18 O4 -159.7(3) . . . . ?
C30 C25 C18 C17 21.4(5) . . . . ?
C30 C29 C28 F4 178.5(3) . . . . ?
C30 C29 C28 C27 -2.8(5) . . . . ?
C22 C21 C20 C19 -0.1(5) . . . . ?
C6 C7 C8 C9 1.5(5) . . . . ?
C41 C40 C45 C44 0.3(5) . . . . ?
C41 C40 C33 O6 -1.9(4) . . . . ?
C41 C40 C33 C32 178.9(3) . . . . ?
C48 C49 C50 C51 179.6(3) . . . . ?
C38 C39 C34 C31 177.6(3) . . . . ?
C38 C39 C34 C35 -1.5(5) . . . . ?
C38 C37 C36 C35 -2.2(6) . . . . ?
C36 C37 C38 C39 1.9(6) . . . . ?
C44 C43 C42 C41 -0.4(6) . . . . ?
C42 C43 C44 C45 0.8(6) . . . . ?
C51 C52 C53 C54 -179.7(3) . . . . ?


_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_q_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2301534'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2023-10-16 deposited with the CCDC.	2025-01-03 downloaded from the CCDC.
;
_audit_creation_date             2022-10-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C57 H35 Br6 Eu N2 O6'
_chemical_formula_sum            'C57 H35 Br6 Eu N2 O6'
_chemical_formula_weight         1475.29
_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'
Br Br -0.2901 2.4595 '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'
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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.4348(17)
_cell_length_b                   18.382(2)
_cell_length_c                   20.131(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.856(6)
_cell_angle_gamma                90
_cell_volume                     5322.3(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8467
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      29.10
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.735
_exptl_absorpt_correction_T_max  0.4942
_exptl_absorpt_correction_T_min  0.2406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1289 before and 0.0853 after correction.
The Ratio of minimum to maximum transmission is 0.4868.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2848
_exptl_crystal_size_max          0.103
_exptl_crystal_size_mid          0.078
_exptl_crystal_size_min          0.059
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0996
_diffrn_reflns_av_unetI/netI     0.0980
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40618
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.503
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III Detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_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                7974
_reflns_number_total             10452
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         10452
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      0.970
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0949
_refine_ls_wR_factor_ref         0.1057
_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:
 C32(H32), C2(H2), C6(H6), C5(H5), C15(H15), C44(H44), C12(H12), C17(H17),
 C42(H42), C45(H45), C41(H41), C14(H14), C38(H38), C39(H39), C30(H30), C9(H9),
 C21(H21), C11(H11), C20(H20), C53(H53), C46(H46), C23(H23), C35(H35), C24(H24),
  C55(H55), C26(H26), C29(H29), C27(H27), C36(H36), C8(H8), C48(H48), C47(H47),
 C51(H51), C54(H54), C50(H50)
;
_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 0.36400(2) 0.43564(2) 0.79380(2) 0.01259(8) Uani 1 1 d . . . . .
Br3 Br 0.66391(4) 0.42494(3) 0.42543(3) 0.02390(13) Uani 1 1 d . . . . .
Br2 Br -0.11395(4) 0.37921(3) 1.04441(3) 0.03015(15) Uani 1 1 d . . . . .
Br5 Br 0.70767(4) 0.78908(3) 0.62588(3) 0.03210(16) Uani 1 1 d . . . . .
Br6 Br -0.15422(4) 0.70830(3) 0.80267(3) 0.03222(15) Uani 1 1 d . . . . .
Br4 Br -0.19305(4) 0.31383(4) 0.59396(3) 0.03493(16) Uani 1 1 d . . . . .
Br1 Br 0.64061(5) 0.01180(3) 0.93457(4) 0.0461(2) Uani 1 1 d . . . . .
O1 O 0.4158(2) 0.32409(17) 0.84035(17) 0.0169(8) Uani 1 1 d . . . . .
O4 O 0.2454(2) 0.37079(18) 0.73062(17) 0.0182(8) Uani 1 1 d . . . . .
O6 O 0.2467(2) 0.52370(17) 0.78162(17) 0.0178(8) Uani 1 1 d . . . . .
O3 O 0.4195(2) 0.39715(19) 0.69518(17) 0.0186(8) Uani 1 1 d . . . . .
O5 O 0.4234(2) 0.54286(18) 0.75056(17) 0.0188(8) Uani 1 1 d . . . . .
O2 O 0.2655(2) 0.40081(17) 0.87347(16) 0.0162(8) Uani 1 1 d . . . . .
N1 N 0.5430(3) 0.4497(2) 0.8244(2) 0.0188(10) Uani 1 1 d . . . . .
N2 N 0.4157(3) 0.5140(2) 0.8982(2) 0.0182(10) Uani 1 1 d . . . . .
C1 C 0.3784(4) 0.2722(3) 0.8702(2) 0.0155(11) Uani 1 1 d . . . . .
C10 C 0.1547(4) 0.3468(3) 0.9342(2) 0.0156(11) Uani 1 1 d . . . . .
C32 C 0.3123(4) 0.6364(3) 0.7528(2) 0.0168(11) Uani 1 1 d . . . . .
H32 H 0.301809 0.687231 0.748087 0.020 Uiso 1 1 calc R U . . .
C2 C 0.2910(3) 0.2758(3) 0.8957(2) 0.0138(10) Uani 1 1 d . . . . .
H2 H 0.264396 0.232572 0.911643 0.017 Uiso 1 1 calc R U . . .
C25 C 0.1243(4) 0.3526(3) 0.6479(3) 0.0183(11) Uani 1 1 d . . . . .
C6 C 0.5944(4) 0.1561(3) 0.8962(3) 0.0242(13) Uani 1 1 d . . . . .
H6 H 0.659642 0.162647 0.895979 0.029 Uiso 1 1 calc R U . . .
C22 C 0.5761(4) 0.4141(3) 0.4891(3) 0.0204(12) Uani 1 1 d . . . . .
C34 C 0.4735(4) 0.6565(3) 0.7173(2) 0.0175(11) Uani 1 1 d . . . . .
C5 C 0.5340(4) 0.2137(3) 0.8807(2) 0.0185(11) Uani 1 1 d . . . . .
H5 H 0.558606 0.259043 0.867957 0.022 Uiso 1 1 calc R U . . .
C15 C 0.1281(4) 0.2943(3) 0.9786(2) 0.0181(11) Uani 1 1 d . . . . .
H15 H 0.164167 0.251375 0.985974 0.022 Uiso 1 1 calc R U . . .
C44 C 0.0402(4) 0.7221(3) 0.7961(3) 0.0202(12) Uani 1 1 d . . . . .
H44 H 0.029898 0.772080 0.804893 0.024 Uiso 1 1 calc R U . . .
C19 C 0.4476(4) 0.3979(3) 0.5826(3) 0.0172(11) Uani 1 1 d . . . . .
C57 C 0.5726(4) 0.5044(3) 0.8669(2) 0.0173(11) Uani 1 1 d . . . . .
C13 C -0.0055(4) 0.3653(3) 0.9996(3) 0.0218(12) Uani 1 1 d . . . . .
C12 C 0.0195(4) 0.4178(3) 0.9549(3) 0.0192(12) Uani 1 1 d . . . . .
H12 H -0.018262 0.459564 0.946068 0.023 Uiso 1 1 calc R U . . .
C17 C 0.2879(4) 0.3774(3) 0.6204(2) 0.0188(11) Uani 1 1 d . . . . .
H17 H 0.265456 0.374676 0.574752 0.023 Uiso 1 1 calc R U . . .
C31 C 0.4000(4) 0.6085(3) 0.7417(2) 0.0170(11) Uani 1 1 d . . . . .
C49 C 0.6652(4) 0.5288(3) 0.8733(3) 0.0254(13) Uani 1 1 d . . . . .
C4 C 0.4389(4) 0.2066(3) 0.8832(2) 0.0155(11) Uani 1 1 d . . . . .
C43 C -0.0330(4) 0.6734(3) 0.7913(3) 0.0201(12) Uani 1 1 d . . . . .
C37 C 0.6141(4) 0.7361(3) 0.6661(3) 0.0209(12) Uani 1 1 d . . . . .
C42 C -0.0195(4) 0.5995(3) 0.7789(3) 0.0255(13) Uani 1 1 d . . . . .
H42 H -0.070490 0.566720 0.774807 0.031 Uiso 1 1 calc R U . . .
C7 C 0.5587(4) 0.0898(3) 0.9119(3) 0.0228(12) Uani 1 1 d . . . . .
C45 C 0.1287(4) 0.6967(3) 0.7881(2) 0.0167(11) Uani 1 1 d . . . . .
H45 H 0.179194 0.730067 0.789873 0.020 Uiso 1 1 calc R U . . .
C33 C 0.2391(4) 0.5917(3) 0.7709(2) 0.0175(11) Uani 1 1 d . . . . .
C41 C 0.0697(4) 0.5755(3) 0.7729(3) 0.0212(12) Uani 1 1 d . . . . .
H41 H 0.080072 0.525161 0.765510 0.025 Uiso 1 1 calc R U . . .
C16 C 0.3825(4) 0.3905(3) 0.6359(3) 0.0168(11) Uani 1 1 d . . . . .
C40 C 0.1452(4) 0.6229(3) 0.7773(2) 0.0168(11) Uani 1 1 d . . . . .
C14 C 0.0484(4) 0.3046(3) 1.0123(3) 0.0223(12) Uani 1 1 d . . . . .
H14 H 0.031642 0.269647 1.043924 0.027 Uiso 1 1 calc R U . . .
C3 C 0.2417(3) 0.3413(3) 0.8984(2) 0.0150(11) Uani 1 1 d . . . . .
C28 C -0.0639(4) 0.3285(3) 0.6155(3) 0.0231(12) Uani 1 1 d . . . . .
C38 C 0.5262(4) 0.7661(3) 0.6652(3) 0.0221(12) Uani 1 1 d . . . . .
H38 H 0.513790 0.813157 0.647080 0.026 Uiso 1 1 calc R U . . .
C39 C 0.4569(4) 0.7260(3) 0.6912(3) 0.0190(11) Uani 1 1 d . . . . .
H39 H 0.396416 0.746354 0.691389 0.023 Uiso 1 1 calc R U . . .
C56 C 0.5050(4) 0.5370(3) 0.9066(2) 0.0186(11) Uani 1 1 d . . . . .
C30 C 0.0922(4) 0.3263(3) 0.5853(3) 0.0302(14) Uani 1 1 d . . . . .
H30 H 0.135190 0.316917 0.553174 0.036 Uiso 1 1 calc R U . . .
C9 C 0.4045(4) 0.1380(3) 0.8995(3) 0.0213(12) Uani 1 1 d . . . . .
H9 H 0.339478 0.131377 0.901294 0.026 Uiso 1 1 calc R U . . .
C21 C 0.5949(4) 0.4430(3) 0.5518(3) 0.0233(12) Uani 1 1 d . . . . .
H21 H 0.651323 0.468380 0.563180 0.028 Uiso 1 1 calc R U . . .
C18 C 0.2245(4) 0.3680(2) 0.6681(2) 0.0151(11) Uani 1 1 d . . . . .
C11 C 0.1002(4) 0.4086(3) 0.9232(2) 0.0176(11) Uani 1 1 d . . . . .
H11 H 0.118478 0.445052 0.893602 0.021 Uiso 1 1 calc R U . . .
C20 C 0.5301(4) 0.4343(3) 0.5980(3) 0.0234(12) Uani 1 1 d . . . . .
H20 H 0.542831 0.453985 0.641505 0.028 Uiso 1 1 calc R U . . .
C53 C 0.4674(4) 0.6203(3) 0.9923(3) 0.0291(14) Uani 1 1 d . . . . .
H53 H 0.484104 0.657045 1.024341 0.035 Uiso 1 1 calc R U . . .
C46 C 0.6051(4) 0.4198(3) 0.7878(3) 0.0235(12) Uani 1 1 d . . . . .
H46 H 0.585497 0.380959 0.758905 0.028 Uiso 1 1 calc R U . . .
C23 C 0.4944(4) 0.3771(3) 0.4719(3) 0.0230(12) Uani 1 1 d . . . . .
H23 H 0.482636 0.356882 0.428565 0.028 Uiso 1 1 calc R U . . .
C35 C 0.5630(4) 0.6285(3) 0.7173(3) 0.0204(12) Uani 1 1 d . . . . .
H35 H 0.575697 0.581340 0.735045 0.024 Uiso 1 1 calc R U . . .
C24 C 0.4298(4) 0.3700(3) 0.5185(3) 0.0221(12) Uani 1 1 d . . . . .
H24 H 0.372707 0.345756 0.506631 0.027 Uiso 1 1 calc R U . . .
C55 C 0.3543(4) 0.5419(3) 0.9355(3) 0.0238(13) Uani 1 1 d . . . . .
H55 H 0.291649 0.525710 0.929506 0.029 Uiso 1 1 calc R U . . .
C26 C 0.0595(4) 0.3660(3) 0.6940(3) 0.0229(12) Uani 1 1 d . . . . .
H26 H 0.080413 0.383433 0.737165 0.027 Uiso 1 1 calc R U . . .
C29 C -0.0020(4) 0.3137(3) 0.5692(3) 0.0306(14) Uani 1 1 d . . . . .
H29 H -0.023291 0.295034 0.526573 0.037 Uiso 1 1 calc R U . . .
C27 C -0.0347(4) 0.3544(3) 0.6783(3) 0.0256(13) Uani 1 1 d . . . . .
H27 H -0.078333 0.364116 0.709941 0.031 Uiso 1 1 calc R U . . .
C36 C 0.6343(4) 0.6677(3) 0.6921(3) 0.0229(12) Uani 1 1 d . . . . .
H36 H 0.695337 0.648188 0.692703 0.027 Uiso 1 1 calc R U . . .
C52 C 0.5347(4) 0.5914(3) 0.9529(3) 0.0253(13) Uani 1 1 d . . . . .
C8 C 0.4640(4) 0.0801(3) 0.9130(3) 0.0265(13) Uani 1 1 d . . . . .
H8 H 0.439888 0.033672 0.923057 0.032 Uiso 1 1 calc R U . . .
C48 C 0.7273(4) 0.4967(3) 0.8329(3) 0.0329(15) Uani 1 1 d . . . . .
H48 H 0.790141 0.512430 0.835400 0.040 Uiso 1 1 calc R U . . .
C47 C 0.6980(4) 0.4424(3) 0.7895(3) 0.0288(14) Uani 1 1 d . . . . .
H47 H 0.739580 0.420547 0.761289 0.035 Uiso 1 1 calc R U . . .
C51 C 0.6287(4) 0.6152(3) 0.9577(3) 0.0349(16) Uani 1 1 d . . . . .
H51 H 0.647591 0.652654 0.988442 0.042 Uiso 1 1 calc R U . . .
C54 C 0.3785(4) 0.5953(3) 0.9843(3) 0.0278(13) Uani 1 1 d . . . . .
H54 H 0.333033 0.613670 1.011420 0.033 Uiso 1 1 calc R U . . .
C50 C 0.6913(4) 0.5861(3) 0.9200(3) 0.0335(15) Uani 1 1 d . . . . .
H50 H 0.753556 0.603413 0.924123 0.040 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 O1 2.350(3) . ?
Eu1 O4 2.366(3) . ?
Eu1 O6 2.340(3) . ?
Eu1 O3 2.314(3) . ?
Eu1 O5 2.346(3) . ?
Eu1 O2 2.321(3) . ?
Eu1 N1 2.618(4) . ?
Eu1 N2 2.604(4) . ?
Br3 C22 1.889(5) . ?
Br2 C13 1.890(5) . ?
Br5 C37 1.901(5) . ?
Br6 C43 1.896(5) . ?
Br4 C28 1.896(6) . ?
Br1 C7 1.890(5) . ?
O1 C1 1.272(6) . ?
O4 C18 1.270(6) . ?
O6 C33 1.272(6) . ?
O3 C16 1.272(6) . ?
O5 C31 1.262(6) . ?
O2 C3 1.263(5) . ?
N1 C57 1.365(6) . ?
N1 C46 1.326(7) . ?
N2 C56 1.354(7) . ?
N2 C55 1.315(6) . ?
C1 C2 1.403(7) . ?
C1 C4 1.499(7) . ?
C10 C15 1.392(7) . ?
C10 C3 1.503(6) . ?
C10 C11 1.389(7) . ?
C32 H32 0.9500 . ?
C32 C31 1.401(7) . ?
C32 C33 1.410(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.402(7) . ?
C25 C30 1.391(7) . ?
C25 C18 1.496(7) . ?
C25 C26 1.395(7) . ?
C6 H6 0.9500 . ?
C6 C5 1.390(7) . ?
C6 C7 1.371(7) . ?
C22 C21 1.375(7) . ?
C22 C23 1.379(8) . ?
C34 C31 1.495(7) . ?
C34 C39 1.395(7) . ?
C34 C35 1.390(7) . ?
C5 H5 0.9500 . ?
C5 C4 1.384(7) . ?
C15 H15 0.9500 . ?
C15 C14 1.397(7) . ?
C44 H44 0.9500 . ?
C44 C43 1.383(7) . ?
C44 C45 1.382(7) . ?
C19 C16 1.490(7) . ?
C19 C20 1.379(7) . ?
C19 C24 1.392(7) . ?
C57 C49 1.406(7) . ?
C57 C56 1.443(7) . ?
C13 C12 1.388(7) . ?
C13 C14 1.373(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.383(7) . ?
C17 H17 0.9500 . ?
C17 C16 1.397(7) . ?
C17 C18 1.391(7) . ?
C49 C48 1.392(8) . ?
C49 C50 1.441(8) . ?
C4 C9 1.405(7) . ?
C43 C42 1.397(7) . ?
C37 C38 1.382(7) . ?
C37 C36 1.383(7) . ?
C42 H42 0.9500 . ?
C42 C41 1.377(7) . ?
C7 C8 1.380(8) . ?
C45 H45 0.9500 . ?
C45 C40 1.399(7) . ?
C33 C40 1.487(7) . ?
C41 H41 0.9500 . ?
C41 C40 1.393(7) . ?
C14 H14 0.9500 . ?
C28 C29 1.372(8) . ?
C28 C27 1.383(8) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(7) . ?
C39 H39 0.9500 . ?
C56 C52 1.408(7) . ?
C30 H30 0.9500 . ?
C30 C29 1.391(8) . ?
C9 H9 0.9500 . ?
C9 C8 1.381(7) . ?
C21 H21 0.9500 . ?
C21 C20 1.383(7) . ?
C11 H11 0.9500 . ?
C20 H20 0.9500 . ?
C53 H53 0.9500 . ?
C53 C52 1.411(8) . ?
C53 C54 1.360(8) . ?
C46 H46 0.9500 . ?
C46 C47 1.401(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(7) . ?
C24 H24 0.9500 . ?
C55 H55 0.9500 . ?
C55 C54 1.412(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(7) . ?
C29 H29 0.9500 . ?
C27 H27 0.9500 . ?
C36 H36 0.9500 . ?
C52 C51 1.421(8) . ?
C8 H8 0.9500 . ?
C48 H48 0.9500 . ?
C48 C47 1.369(8) . ?
C47 H47 0.9500 . ?
C51 H51 0.9500 . ?
C51 C50 1.340(8) . ?
C54 H54 0.9500 . ?
C50 H50 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
O1 Eu1 O4 88.04(12) . . ?
O1 Eu1 N1 73.65(12) . . ?
O1 Eu1 N2 95.79(13) . . ?
O4 Eu1 N1 146.19(12) . . ?
O4 Eu1 N2 149.00(12) . . ?
O6 Eu1 O1 148.00(11) . . ?
O6 Eu1 O4 78.94(12) . . ?
O6 Eu1 O5 70.36(11) . . ?
O6 Eu1 N1 130.32(12) . . ?
O6 Eu1 N2 81.81(13) . . ?
O3 Eu1 O1 87.35(12) . . ?
O3 Eu1 O4 70.86(12) . . ?
O3 Eu1 O6 114.94(12) . . ?
O3 Eu1 O5 76.97(12) . . ?
O3 Eu1 O2 141.75(12) . . ?
O3 Eu1 N1 79.95(13) . . ?
O3 Eu1 N2 139.92(13) . . ?
O5 Eu1 O1 140.10(12) . . ?
O5 Eu1 O4 119.62(12) . . ?
O5 Eu1 N1 67.65(12) . . ?
O5 Eu1 N2 75.29(13) . . ?
O2 Eu1 O1 71.12(11) . . ?
O2 Eu1 O4 77.00(12) . . ?
O2 Eu1 O6 77.48(11) . . ?
O2 Eu1 O5 138.81(11) . . ?
O2 Eu1 N1 120.97(13) . . ?
O2 Eu1 N2 75.25(12) . . ?
N2 Eu1 N1 62.98(13) . . ?
C1 O1 Eu1 135.2(3) . . ?
C18 O4 Eu1 130.8(3) . . ?
C33 O6 Eu1 138.5(3) . . ?
C16 O3 Eu1 133.4(3) . . ?
C31 O5 Eu1 139.0(3) . . ?
C3 O2 Eu1 135.8(3) . . ?
C57 N1 Eu1 118.1(3) . . ?
C46 N1 Eu1 121.9(4) . . ?
C46 N1 C57 117.6(5) . . ?
C56 N2 Eu1 118.6(3) . . ?
C55 N2 Eu1 121.1(4) . . ?
C55 N2 C56 119.1(5) . . ?
O1 C1 C2 124.6(5) . . ?
O1 C1 C4 114.9(4) . . ?
C2 C1 C4 120.2(4) . . ?
C15 C10 C3 123.3(5) . . ?
C11 C10 C15 119.0(5) . . ?
C11 C10 C3 117.7(4) . . ?
C31 C32 H32 118.8 . . ?
C31 C32 C33 122.3(5) . . ?
C33 C32 H32 118.8 . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.0(4) . . ?
C3 C2 H2 119.0 . . ?
C30 C25 C18 123.5(5) . . ?
C30 C25 C26 118.3(5) . . ?
C26 C25 C18 118.1(5) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C7 C6 C5 119.2(5) . . ?
C21 C22 Br3 119.4(4) . . ?
C21 C22 C23 121.3(5) . . ?
C23 C22 Br3 119.3(4) . . ?
C39 C34 C31 124.1(5) . . ?
C35 C34 C31 117.9(5) . . ?
C35 C34 C39 118.0(5) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 C6 121.7(5) . . ?
C4 C5 H5 119.1 . . ?
C10 C15 H15 119.9 . . ?
C10 C15 C14 120.1(5) . . ?
C14 C15 H15 119.9 . . ?
C43 C44 H44 120.6 . . ?
C45 C44 H44 120.6 . . ?
C45 C44 C43 118.8(5) . . ?
C20 C19 C16 117.9(5) . . ?
C20 C19 C24 118.4(5) . . ?
C24 C19 C16 123.7(5) . . ?
N1 C57 C49 122.5(5) . . ?
N1 C57 C56 117.6(5) . . ?
C49 C57 C56 119.9(5) . . ?
C12 C13 Br2 119.2(4) . . ?
C14 C13 Br2 120.0(4) . . ?
C14 C13 C12 120.8(5) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 C13 119.3(5) . . ?
C11 C12 H12 120.4 . . ?
C16 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?
C18 C17 C16 123.8(5) . . ?
O5 C31 C32 124.2(5) . . ?
O5 C31 C34 115.0(5) . . ?
C32 C31 C34 120.8(4) . . ?
C57 C49 C50 119.2(5) . . ?
C48 C49 C57 117.7(5) . . ?
C48 C49 C50 123.1(5) . . ?
C5 C4 C1 118.9(4) . . ?
C5 C4 C9 117.7(5) . . ?
C9 C4 C1 123.4(5) . . ?
C44 C43 Br6 118.7(4) . . ?
C44 C43 C42 121.6(5) . . ?
C42 C43 Br6 119.7(4) . . ?
C38 C37 Br5 118.3(4) . . ?
C38 C37 C36 122.1(5) . . ?
C36 C37 Br5 119.5(4) . . ?
C43 C42 H42 120.8 . . ?
C41 C42 C43 118.3(5) . . ?
C41 C42 H42 120.8 . . ?
C6 C7 Br1 119.4(4) . . ?
C6 C7 C8 120.7(5) . . ?
C8 C7 Br1 119.9(4) . . ?
C44 C45 H45 119.4 . . ?
C44 C45 C40 121.1(5) . . ?
C40 C45 H45 119.4 . . ?
O6 C33 C32 124.1(5) . . ?
O6 C33 C40 115.5(4) . . ?
C32 C33 C40 120.4(4) . . ?
C42 C41 H41 119.1 . . ?
C42 C41 C40 121.7(5) . . ?
C40 C41 H41 119.1 . . ?
O3 C16 C19 115.3(5) . . ?
O3 C16 C17 123.4(5) . . ?
C17 C16 C19 121.3(5) . . ?
C45 C40 C33 123.8(5) . . ?
C41 C40 C45 118.3(5) . . ?
C41 C40 C33 117.9(4) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 C15 119.8(5) . . ?
C13 C14 H14 120.1 . . ?
O2 C3 C10 113.5(4) . . ?
O2 C3 C2 124.9(4) . . ?
C2 C3 C10 121.5(4) . . ?
C29 C28 Br4 120.1(4) . . ?
C29 C28 C27 121.6(5) . . ?
C27 C28 Br4 118.4(4) . . ?
C37 C38 H38 120.8 . . ?
C39 C38 C37 118.4(5) . . ?
C39 C38 H38 120.8 . . ?
C34 C39 H39 119.2 . . ?
C38 C39 C34 121.6(5) . . ?
C38 C39 H39 119.2 . . ?
N2 C56 C57 118.8(5) . . ?
N2 C56 C52 122.6(5) . . ?
C52 C56 C57 118.6(5) . . ?
C25 C30 H30 119.5 . . ?
C25 C30 C29 120.9(5) . . ?
C29 C30 H30 119.5 . . ?
C4 C9 H9 119.6 . . ?
C8 C9 C4 120.8(5) . . ?
C8 C9 H9 119.6 . . ?
C22 C21 H21 120.6 . . ?
C22 C21 C20 118.8(5) . . ?
C20 C21 H21 120.6 . . ?
O4 C18 C25 114.9(4) . . ?
O4 C18 C17 124.3(5) . . ?
C17 C18 C25 120.8(5) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 121.0(5) . . ?
C12 C11 H11 119.5 . . ?
C19 C20 C21 121.6(5) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C52 C53 H53 120.2 . . ?
C54 C53 H53 120.2 . . ?
C54 C53 C52 119.6(5) . . ?
N1 C46 H46 118.2 . . ?
N1 C46 C47 123.7(5) . . ?
C47 C46 H46 118.2 . . ?
C22 C23 H23 120.5 . . ?
C22 C23 C24 119.1(5) . . ?
C24 C23 H23 120.5 . . ?
C34 C35 H35 119.1 . . ?
C36 C35 C34 121.7(5) . . ?
C36 C35 H35 119.1 . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.8(5) . . ?
C23 C24 H24 119.6 . . ?
N2 C55 H55 119.0 . . ?
N2 C55 C54 122.0(5) . . ?
C54 C55 H55 119.0 . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.3(5) . . ?
C27 C26 H26 119.4 . . ?
C28 C29 C30 119.2(5) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 H29 120.4 . . ?
C28 C27 C26 118.6(5) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
C37 C36 C35 118.1(5) . . ?
C37 C36 H36 121.0 . . ?
C35 C36 H36 121.0 . . ?
C56 C52 C53 117.0(5) . . ?
C56 C52 C51 120.0(5) . . ?
C53 C52 C51 123.0(5) . . ?
C7 C8 C9 119.8(5) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C49 C48 H48 119.9 . . ?
C47 C48 C49 120.2(6) . . ?
C47 C48 H48 119.9 . . ?
C46 C47 H47 120.8 . . ?
C48 C47 C46 118.3(5) . . ?
C48 C47 H47 120.8 . . ?
C52 C51 H51 119.2 . . ?
C50 C51 C52 121.6(5) . . ?
C50 C51 H51 119.2 . . ?
C53 C54 C55 119.5(5) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C49 C50 H50 119.7 . . ?
C51 C50 C49 120.6(6) . . ?
C51 C50 H50 119.7 . . ?

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
Eu1 O1 C1 C2 -13.5(8) . . . . ?
Eu1 O1 C1 C4 172.4(3) . . . . ?
Eu1 O4 C18 C25 -151.8(3) . . . . ?
Eu1 O4 C18 C17 28.9(7) . . . . ?
Eu1 O6 C33 C32 9.4(8) . . . . ?
Eu1 O6 C33 C40 -171.7(3) . . . . ?
Eu1 O3 C16 C19 152.2(3) . . . . ?
Eu1 O3 C16 C17 -27.7(7) . . . . ?
Eu1 O5 C31 C32 -7.0(8) . . . . ?
Eu1 O5 C31 C34 173.5(3) . . . . ?
Eu1 O2 C3 C10 -163.1(3) . . . . ?
Eu1 O2 C3 C2 18.7(8) . . . . ?
Eu1 N1 C57 C49 -163.2(4) . . . . ?
Eu1 N1 C57 C56 17.3(6) . . . . ?
Eu1 N1 C46 C47 160.4(4) . . . . ?
Eu1 N2 C56 C57 -13.9(6) . . . . ?
Eu1 N2 C56 C52 166.3(4) . . . . ?
Eu1 N2 C55 C54 -167.7(4) . . . . ?
Br3 C22 C21 C20 -179.7(4) . . . . ?
Br3 C22 C23 C24 -179.3(4) . . . . ?
Br2 C13 C12 C11 178.4(4) . . . . ?
Br2 C13 C14 C15 179.5(4) . . . . ?
Br5 C37 C38 C39 176.7(4) . . . . ?
Br5 C37 C36 C35 -176.0(4) . . . . ?
Br6 C43 C42 C41 -178.1(4) . . . . ?
Br4 C28 C29 C30 178.5(5) . . . . ?
Br4 C28 C27 C26 -179.3(4) . . . . ?
Br1 C7 C8 C9 177.0(4) . . . . ?
O1 C1 C2 C3 -8.8(8) . . . . ?
O1 C1 C4 C5 18.4(7) . . . . ?
O1 C1 C4 C9 -163.2(5) . . . . ?
O6 C33 C40 C45 159.3(5) . . . . ?
O6 C33 C40 C41 -20.0(7) . . . . ?
N1 C57 C49 C48 1.8(8) . . . . ?
N1 C57 C49 C50 -179.1(5) . . . . ?
N1 C57 C56 N2 -2.3(7) . . . . ?
N1 C57 C56 C52 177.4(5) . . . . ?
N1 C46 C47 C48 2.3(9) . . . . ?
N2 C56 C52 C53 1.8(8) . . . . ?
N2 C56 C52 C51 -177.7(5) . . . . ?
N2 C55 C54 C53 1.6(9) . . . . ?
C1 C2 C3 O2 6.6(8) . . . . ?
C1 C2 C3 C10 -171.4(5) . . . . ?
C1 C4 C9 C8 -177.9(5) . . . . ?
C10 C15 C14 C13 2.5(8) . . . . ?
C32 C33 C40 C45 -21.8(7) . . . . ?
C32 C33 C40 C41 158.9(5) . . . . ?
C2 C1 C4 C5 -156.0(5) . . . . ?
C2 C1 C4 C9 22.4(7) . . . . ?
C25 C30 C29 C28 1.0(9) . . . . ?
C25 C26 C27 C28 0.5(9) . . . . ?
C6 C5 C4 C1 176.0(5) . . . . ?
C6 C5 C4 C9 -2.5(8) . . . . ?
C6 C7 C8 C9 -1.3(9) . . . . ?
C22 C21 C20 C19 -0.3(8) . . . . ?
C22 C23 C24 C19 -1.6(8) . . . . ?
C34 C35 C36 C37 -0.5(8) . . . . ?
C5 C6 C7 Br1 -179.0(4) . . . . ?
C5 C6 C7 C8 -0.6(9) . . . . ?
C5 C4 C9 C8 0.5(8) . . . . ?
C15 C10 C3 O2 -163.8(5) . . . . ?
C15 C10 C3 C2 14.5(8) . . . . ?
C15 C10 C11 C12 -1.1(7) . . . . ?
C44 C43 C42 C41 1.2(8) . . . . ?
C44 C45 C40 C33 -177.5(5) . . . . ?
C44 C45 C40 C41 1.8(7) . . . . ?
C57 N1 C46 C47 -1.5(8) . . . . ?
C57 C49 C48 C47 -1.0(8) . . . . ?
C57 C49 C50 C51 1.0(9) . . . . ?
C57 C56 C52 C53 -177.9(5) . . . . ?
C57 C56 C52 C51 2.6(8) . . . . ?
C13 C12 C11 C10 1.8(8) . . . . ?
C12 C13 C14 C15 -1.8(8) . . . . ?
C31 C32 C33 O6 3.4(8) . . . . ?
C31 C32 C33 C40 -175.4(5) . . . . ?
C31 C34 C39 C38 -175.5(5) . . . . ?
C31 C34 C35 C36 176.4(5) . . . . ?
C49 C57 C56 N2 178.1(5) . . . . ?
C49 C57 C56 C52 -2.1(7) . . . . ?
C49 C48 C47 C46 -0.9(9) . . . . ?
C4 C1 C2 C3 165.0(5) . . . . ?
C4 C9 C8 C7 1.4(9) . . . . ?
C43 C44 C45 C40 -2.1(8) . . . . ?
C43 C42 C41 C40 -1.4(8) . . . . ?
C37 C38 C39 C34 -0.8(8) . . . . ?
C42 C41 C40 C45 0.0(8) . . . . ?
C42 C41 C40 C33 179.3(5) . . . . ?
C7 C6 C5 C4 2.6(8) . . . . ?
C45 C44 C43 Br6 179.8(4) . . . . ?
C45 C44 C43 C42 0.5(8) . . . . ?
C33 C32 C31 O5 -4.5(8) . . . . ?
C33 C32 C31 C34 175.0(5) . . . . ?
C16 C19 C20 C21 179.3(5) . . . . ?
C16 C19 C24 C23 -178.3(5) . . . . ?
C16 C17 C18 O4 0.5(8) . . . . ?
C16 C17 C18 C25 -178.8(5) . . . . ?
C14 C13 C12 C11 -0.4(8) . . . . ?
C3 C10 C15 C14 177.2(5) . . . . ?
C3 C10 C11 C12 -179.5(4) . . . . ?
C38 C37 C36 C35 0.7(8) . . . . ?
C39 C34 C31 O5 166.0(5) . . . . ?
C39 C34 C31 C32 -13.5(8) . . . . ?
C39 C34 C35 C36 -0.3(8) . . . . ?
C56 N2 C55 C54 0.0(8) . . . . ?
C56 C57 C49 C48 -178.7(5) . . . . ?
C56 C57 C49 C50 0.4(8) . . . . ?
C56 C52 C51 C50 -1.3(9) . . . . ?
C30 C25 C18 O4 -160.2(5) . . . . ?
C30 C25 C18 C17 19.1(8) . . . . ?
C30 C25 C26 C27 -0.7(8) . . . . ?
C21 C22 C23 C24 0.8(8) . . . . ?
C18 C25 C30 C29 -179.4(5) . . . . ?
C18 C25 C26 C27 178.7(5) . . . . ?
C18 C17 C16 O3 -2.0(8) . . . . ?
C18 C17 C16 C19 178.1(4) . . . . ?
C11 C10 C15 C14 -1.1(8) . . . . ?
C11 C10 C3 O2 14.5(7) . . . . ?
C11 C10 C3 C2 -167.2(5) . . . . ?
C20 C19 C16 O3 -21.6(7) . . . . ?
C20 C19 C16 C17 158.3(5) . . . . ?
C20 C19 C24 C23 1.5(8) . . . . ?
C53 C52 C51 C50 179.3(6) . . . . ?
C46 N1 C57 C49 -0.5(7) . . . . ?
C46 N1 C57 C56 179.9(5) . . . . ?
C23 C22 C21 C20 0.1(8) . . . . ?
C35 C34 C31 O5 -10.4(7) . . . . ?
C35 C34 C31 C32 170.0(5) . . . . ?
C35 C34 C39 C38 0.9(8) . . . . ?
C24 C19 C16 O3 158.2(5) . . . . ?
C24 C19 C16 C17 -21.9(8) . . . . ?
C24 C19 C20 C21 -0.5(8) . . . . ?
C55 N2 C56 C57 178.0(5) . . . . ?
C55 N2 C56 C52 -1.7(8) . . . . ?
C26 C25 C30 C29 0.0(8) . . . . ?
C26 C25 C18 O4 20.4(7) . . . . ?
C26 C25 C18 C17 -160.3(5) . . . . ?
C29 C28 C27 C26 0.4(9) . . . . ?
C27 C28 C29 C30 -1.2(9) . . . . ?
C36 C37 C38 C39 -0.1(8) . . . . ?
C52 C53 C54 C55 -1.5(9) . . . . ?
C52 C51 C50 C49 -0.5(10) . . . . ?
C48 C49 C50 C51 179.9(6) . . . . ?
C54 C53 C52 C56 -0.2(8) . . . . ?
C54 C53 C52 C51 179.3(6) . . . . ?
C50 C49 C48 C47 180.0(6) . . . . ?

_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_q_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2301538'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2023-10-16 deposited with the CCDC.	2025-01-03 downloaded from the CCDC.
;
_audit_creation_date             2023-10-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C57 H35 Cl6 Eu N2 O6'
_chemical_formula_sum            'C57 H35 Cl6 Eu N2 O6'
_chemical_formula_weight         1208.53
_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'
Cl Cl 0.1484 0.1585 '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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.1895(14)
_cell_length_b                   18.0974(18)
_cell_length_c                   20.0737(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.015(3)
_cell_angle_gamma                90.00
_cell_volume                     5142.1(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7522
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.32
_exptl_absorpt_coefficient_mu    1.585
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.5356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1091 before and 0.0670 after correction.
The Ratio of minimum to maximum transmission is 0.8268.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.138
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.107
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0804
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            50402
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.70
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III detector'
_diffrn_measurement_method       'phi and omega shutterless scans'
_diffrn_radiation_monochromator  ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                10763
_reflns_number_total             13681
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.121
_refine_diff_density_min         -1.524
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         13681
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0453
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0187P)²+3.5413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0989
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C15(H15), C38(H38), C32(H32), C44(H44), C55(H55), C45(H45), C9(H9),
 C39(H39), C5(H5), C42(H42), C17(H17), C35(H35), C12(H12), C36(H36), C41(H41),
 C14(H14), C11(H11), C21(H21), C26(H26), C6(H6), C46(H46), C20(H20), C23(H23),
 C24(H24), C27(H27), C30(H30), C51(H51), C54(H54), C8(H8), C53(H53), C50(H50),
 C48(H48), C29(H29), C47(H47)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.366912(11) 0.426034(9) 0.796786(8) 0.01566(5) Uani 1 1 d . . .
Cl3 Cl 0.65988(6) 0.43019(5) 0.42726(5) 0.0290(2) Uani 1 1 d . . .
Cl5 Cl 0.70802(7) 0.77359(6) 0.61814(6) 0.0356(2) Uani 1 1 d . . .
Cl2 Cl -0.11325(7) 0.37293(6) 1.04696(5) 0.0385(2) Uani 1 1 d . . .
Cl6 Cl -0.15346(7) 0.69521(6) 0.80042(6) 0.0380(2) Uani 1 1 d . . .
Cl4 Cl -0.18778(7) 0.30501(7) 0.60418(6) 0.0414(3) Uani 1 1 d . . .
Cl1 Cl 0.63486(8) -0.00088(6) 0.92961(7) 0.0556(4) Uani 1 1 d . . .
O1 O 0.41901(16) 0.31293(13) 0.84430(11) 0.0200(5) Uani 1 1 d . . .
O3 O 0.42510(17) 0.38688(13) 0.69724(11) 0.0217(5) Uani 1 1 d . . .
O6 O 0.24744(16) 0.51379(13) 0.78195(12) 0.0221(5) Uani 1 1 d . . .
O5 O 0.42829(16) 0.53391(13) 0.75169(12) 0.0220(5) Uani 1 1 d . . .
O2 O 0.26689(16) 0.39246(12) 0.87812(11) 0.0193(5) Uani 1 1 d . . .
O4 O 0.24730(17) 0.35906(13) 0.73449(11) 0.0214(5) Uani 1 1 d . . .
N2 N 0.4153(2) 0.50993(16) 0.89841(14) 0.0204(6) Uani 1 1 d . . .
N1 N 0.5478(2) 0.44006(16) 0.82911(15) 0.0223(6) Uani 1 1 d . . .
C2 C 0.2924(2) 0.26611(18) 0.90275(17) 0.0188(7) Uani 1 1 d . . .
H2 H 0.2657 0.2228 0.9204 0.023 Uiso 1 1 calc R . .
C1 C 0.3809(2) 0.26104(17) 0.87569(15) 0.0158(6) Uani 1 1 d . . .
C4 C 0.4410(2) 0.19345(19) 0.88729(16) 0.0190(7) Uani 1 1 d . . .
C40 C 0.1424(2) 0.61379(19) 0.77597(16) 0.0188(7) Uani 1 1 d . . .
C15 C 0.1257(2) 0.28694(19) 0.98721(17) 0.0209(7) Uani 1 1 d . . .
H15 H 0.1625 0.2437 0.9956 0.025 Uiso 1 1 calc R . .
C57 C 0.5758(2) 0.49710(19) 0.86985(17) 0.0217(7) Uani 1 1 d . . .
C34 C 0.4778(2) 0.64803(19) 0.71343(16) 0.0190(7) Uani 1 1 d . . .
C10 C 0.1540(2) 0.33913(18) 0.94163(16) 0.0171(7) Uani 1 1 d . . .
C3 C 0.2418(2) 0.33272(18) 0.90471(15) 0.0161(6) Uani 1 1 d . . .
C31 C 0.4027(2) 0.59997(19) 0.74035(16) 0.0185(7) Uani 1 1 d . . .
C38 C 0.5294(2) 0.7537(2) 0.65208(18) 0.0234(7) Uani 1 1 d . . .
H38 H 0.5159 0.7991 0.6296 0.028 Uiso 1 1 calc R . .
C32 C 0.3128(2) 0.62754(19) 0.75012(17) 0.0215(7) Uani 1 1 d . . .
H32 H 0.3009 0.6787 0.7433 0.026 Uiso 1 1 calc R . .
C19 C 0.4510(2) 0.39482(19) 0.58370(17) 0.0190(7) Uani 1 1 d . . .
C44 C 0.0342(3) 0.7134(2) 0.79324(17) 0.0230(7) Uani 1 1 d . . .
H44 H 0.0228 0.7643 0.8007 0.028 Uiso 1 1 calc R . .
C22 C 0.5798(2) 0.41635(19) 0.48735(18) 0.0218(7) Uani 1 1 d . . .
C55 C 0.3517(3) 0.5419(2) 0.93418(17) 0.0248(8) Uani 1 1 d . . .
H55 H 0.2880 0.5255 0.9286 0.030 Uiso 1 1 calc R . .
C45 C 0.1250(2) 0.68845(19) 0.78567(17) 0.0210(7) Uani 1 1 d . . .
H45 H 0.1758 0.7227 0.7871 0.025 Uiso 1 1 calc R . .
C9 C 0.4046(2) 0.12402(19) 0.90102(18) 0.0234(7) Uani 1 1 d . . .
H9 H 0.3383 0.1179 0.9023 0.028 Uiso 1 1 calc R . .
C56 C 0.5057(3) 0.53364(19) 0.90645(17) 0.0216(7) Uani 1 1 d . . .
C39 C 0.4581(2) 0.7144(2) 0.68043(17) 0.0220(7) Uani 1 1 d . . .
H39 H 0.3954 0.7331 0.6773 0.026 Uiso 1 1 calc R . .
C33 C 0.2394(2) 0.58216(19) 0.76966(16) 0.0189(7) Uani 1 1 d . . .
C25 C 0.1230(2) 0.34649(19) 0.65228(18) 0.0226(7) Uani 1 1 d . . .
C43 C -0.0392(2) 0.6640(2) 0.78994(18) 0.0254(8) Uani 1 1 d . . .
C18 C 0.2244(2) 0.36133(18) 0.67257(17) 0.0198(7) Uani 1 1 d . . .
C5 C 0.5386(2) 0.2010(2) 0.88535(17) 0.0229(7) Uani 1 1 d . . .
H5 H 0.5645 0.2475 0.8745 0.027 Uiso 1 1 calc R . .
C42 C -0.0245(3) 0.5888(2) 0.7789(2) 0.0299(9) Uani 1 1 d . . .
H42 H -0.0761 0.5553 0.7759 0.036 Uiso 1 1 calc R . .
C17 C 0.2888(2) 0.3762(2) 0.62383(17) 0.0224(7) Uani 1 1 d . . .
H17 H 0.2648 0.3801 0.5786 0.027 Uiso 1 1 calc R . .
C35 C 0.5708(2) 0.6219(2) 0.71805(18) 0.0231(7) Uani 1 1 d . . .
H35 H 0.5851 0.5766 0.7405 0.028 Uiso 1 1 calc R . .
C12 C 0.0161(3) 0.41213(19) 0.96130(17) 0.0226(7) Uani 1 1 d . . .
H12 H -0.0220 0.4545 0.9521 0.027 Uiso 1 1 calc R . .
C13 C -0.0102(3) 0.3598(2) 1.00676(18) 0.0264(8) Uani 1 1 d . . .
C36 C 0.6425(2) 0.6610(2) 0.69036(18) 0.0251(8) Uani 1 1 d . . .
H36 H 0.7058 0.6435 0.6943 0.030 Uiso 1 1 calc R . .
C41 C 0.0666(3) 0.56434(19) 0.77258(19) 0.0249(8) Uani 1 1 d . . .
H41 H 0.0778 0.5132 0.7658 0.030 Uiso 1 1 calc R . .
C14 C 0.0445(3) 0.2974(2) 1.02042(17) 0.0239(8) Uani 1 1 d . . .
H14 H 0.0265 0.2622 1.0523 0.029 Uiso 1 1 calc R . .
C11 C 0.0983(2) 0.40210(19) 0.92956(17) 0.0201(7) Uani 1 1 d . . .
H11 H 0.1173 0.4384 0.8991 0.024 Uiso 1 1 calc R . .
C21 C 0.6089(3) 0.4251(2) 0.55415(19) 0.0327(9) Uani 1 1 d . . .
H21 H 0.6724 0.4380 0.5672 0.039 Uiso 1 1 calc R . .
C7 C 0.5597(3) 0.0737(2) 0.9129(2) 0.0297(8) Uani 1 1 d . . .
C37 C 0.6198(2) 0.7258(2) 0.65709(18) 0.0233(7) Uani 1 1 d . . .
C26 C 0.0587(3) 0.3504(2) 0.70152(19) 0.0291(8) Uani 1 1 d . . .
H26 H 0.0806 0.3625 0.7460 0.035 Uiso 1 1 calc R . .
C6 C 0.5983(3) 0.1416(2) 0.89899(18) 0.0264(8) Uani 1 1 d . . .
H6 H 0.6648 0.1474 0.8988 0.032 Uiso 1 1 calc R . .
C46 C 0.6112(3) 0.4061(2) 0.79547(19) 0.0275(8) Uani 1 1 d . . .
H46 H 0.5914 0.3655 0.7680 0.033 Uiso 1 1 calc R . .
C20 C 0.5436(3) 0.4148(2) 0.60161(19) 0.0298(9) Uani 1 1 d . . .
H20 H 0.5629 0.4215 0.6475 0.036 Uiso 1 1 calc R . .
C23 C 0.4886(3) 0.3970(2) 0.46834(18) 0.0257(8) Uani 1 1 d . . .
H23 H 0.4694 0.3909 0.4224 0.031 Uiso 1 1 calc R . .
C24 C 0.4243(3) 0.3862(2) 0.51630(18) 0.0253(8) Uani 1 1 d . . .
H24 H 0.3611 0.3727 0.5029 0.030 Uiso 1 1 calc R . .
C16 C 0.3858(2) 0.38554(18) 0.63819(16) 0.0187(7) Uani 1 1 d . . .
C27 C -0.0361(3) 0.3369(3) 0.6869(2) 0.0368(10) Uani 1 1 d . . .
H27 H -0.0791 0.3396 0.7211 0.044 Uiso 1 1 calc R . .
C30 C 0.0890(3) 0.3282(2) 0.58802(18) 0.0304(9) Uani 1 1 d . . .
H30 H 0.1317 0.3241 0.5538 0.036 Uiso 1 1 calc R . .
C49 C 0.6704(3) 0.5214(2) 0.87671(19) 0.0300(9) Uani 1 1 d . . .
C52 C 0.5337(3) 0.5919(2) 0.95052(18) 0.0287(8) Uani 1 1 d . . .
C51 C 0.6305(3) 0.6153(2) 0.9549(2) 0.0382(10) Uani 1 1 d . . .
H51 H 0.6490 0.6556 0.9832 0.046 Uiso 1 1 calc R . .
C54 C 0.3742(3) 0.5988(2) 0.97995(19) 0.0327(9) Uani 1 1 d . . .
H54 H 0.3268 0.6198 1.0053 0.039 Uiso 1 1 calc R . .
C28 C -0.0680(3) 0.3198(2) 0.6228(2) 0.0297(9) Uani 1 1 d . . .
C8 C 0.4633(3) 0.0638(2) 0.9128(2) 0.0336(9) Uani 1 1 d . . .
H8 H 0.4377 0.0164 0.9206 0.040 Uiso 1 1 calc R . .
C53 C 0.4647(3) 0.6236(2) 0.98760(19) 0.0336(9) Uani 1 1 d . . .
H53 H 0.4809 0.6624 1.0182 0.040 Uiso 1 1 calc R . .
C50 C 0.6953(3) 0.5819(3) 0.9199(2) 0.0402(11) Uani 1 1 d . . .
H50 H 0.7589 0.5988 0.9240 0.048 Uiso 1 1 calc R . .
C48 C 0.7355(3) 0.4846(3) 0.8387(2) 0.0377(10) Uani 1 1 d . . .
H48 H 0.7998 0.4998 0.8413 0.045 Uiso 1 1 calc R . .
C29 C -0.0064(3) 0.3158(2) 0.57292(19) 0.0347(10) Uani 1 1 d . . .
H29 H -0.0292 0.3046 0.5284 0.042 Uiso 1 1 calc R . .
C47 C 0.7069(3) 0.4270(3) 0.7982(2) 0.0368(10) Uani 1 1 d . . .
H47 H 0.7505 0.4018 0.7725 0.044 Uiso 1 1 calc R . .


_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 2.355(2) . ?
Eu1 O3 2.326(2) . ?
Eu1 O6 2.327(2) . ?
Eu1 O5 2.345(2) . ?
Eu1 O2 2.318(2) . ?
Eu1 O4 2.370(2) . ?
Eu1 N2 2.596(3) . ?
Eu1 N1 2.615(3) . ?
Cl3 C22 1.733(3) . ?
Cl5 C37 1.750(4) . ?
Cl2 C13 1.735(4) . ?
Cl6 C43 1.743(4) . ?
Cl4 C28 1.736(4) . ?
Cl1 C7 1.738(4) . ?
O1 C1 1.272(4) . ?
O3 C16 1.274(4) . ?
O6 C33 1.265(4) . ?
O5 C31 1.265(4) . ?
O2 C3 1.268(4) . ?
O4 C18 1.263(4) . ?
N2 C55 1.324(4) . ?
N2 C56 1.352(4) . ?
N1 C57 1.359(4) . ?
N1 C46 1.314(5) . ?
C2 H2 0.9500 . ?
C2 C1 1.407(4) . ?
C2 C3 1.405(4) . ?
C1 C4 1.499(4) . ?
C4 C9 1.393(5) . ?
C4 C5 1.395(5) . ?
C40 C45 1.390(5) . ?
C40 C33 1.504(5) . ?
C40 C41 1.398(5) . ?
C15 H15 0.9500 . ?
C15 C10 1.394(5) . ?
C15 C14 1.383(5) . ?
C57 C56 1.439(5) . ?
C57 C49 1.410(5) . ?
C34 C31 1.505(4) . ?
C34 C39 1.391(5) . ?
C34 C35 1.398(5) . ?
C10 C3 1.498(4) . ?
C10 C11 1.398(5) . ?
C31 C32 1.397(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.390(5) . ?
C38 C37 1.375(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.403(5) . ?
C19 C20 1.386(5) . ?
C19 C24 1.388(5) . ?
C19 C16 1.491(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.383(5) . ?
C44 C43 1.371(5) . ?
C22 C21 1.385(5) . ?
C22 C23 1.368(5) . ?
C55 H55 0.9500 . ?
C55 C54 1.403(5) . ?
C45 H45 0.9500 . ?
C9 H9 0.9500 . ?
C9 C8 1.381(5) . ?
C56 C52 1.416(5) . ?
C39 H39 0.9500 . ?
C25 C18 1.492(5) . ?
C25 C26 1.393(5) . ?
C25 C30 1.385(5) . ?
C43 C42 1.395(5) . ?
C18 C17 1.410(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(5) . ?
C42 H42 0.9500 . ?
C42 C41 1.380(5) . ?
C17 H17 0.9500 . ?
C17 C16 1.397(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.388(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.385(5) . ?
C12 C11 1.379(5) . ?
C13 C14 1.386(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.377(5) . ?
C41 H41 0.9500 . ?
C14 H14 0.9500 . ?
C11 H11 0.9500 . ?
C21 H21 0.9500 . ?
C21 C20 1.387(5) . ?
C7 C6 1.381(5) . ?
C7 C8 1.379(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.378(5) . ?
C6 H6 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.407(5) . ?
C20 H20 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.386(5) . ?
C24 H24 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.370(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.385(5) . ?
C49 C50 1.426(6) . ?
C49 C48 1.407(6) . ?
C52 C51 1.434(5) . ?
C52 C53 1.394(6) . ?
C51 H51 0.9500 . ?
C51 C50 1.339(6) . ?
C54 H54 0.9500 . ?
C54 C53 1.359(6) . ?
C28 C29 1.375(5) . ?
C8 H8 0.9500 . ?
C53 H53 0.9500 . ?
C50 H50 0.9500 . ?
C48 H48 0.9500 . ?
C48 C47 1.366(6) . ?
C29 H29 0.9500 . ?
C47 H47 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
O1 Eu1 O4 87.83(8) . . ?
O1 Eu1 N2 97.58(8) . . ?
O1 Eu1 N1 73.09(8) . . ?
O3 Eu1 O1 87.87(8) . . ?
O3 Eu1 O6 113.41(8) . . ?
O3 Eu1 O5 76.01(8) . . ?
O3 Eu1 O4 71.03(8) . . ?
O3 Eu1 N2 139.74(9) . . ?
O3 Eu1 N1 80.88(9) . . ?
O6 Eu1 O1 148.23(8) . . ?
O6 Eu1 O5 70.69(8) . . ?
O6 Eu1 O4 78.06(9) . . ?
O6 Eu1 N2 81.46(9) . . ?
O6 Eu1 N1 131.23(9) . . ?
O5 Eu1 O1 139.93(8) . . ?
O5 Eu1 O4 119.58(8) . . ?
O5 Eu1 N2 74.43(9) . . ?
O5 Eu1 N1 68.31(8) . . ?
O2 Eu1 O1 71.17(8) . . ?
O2 Eu1 O3 142.85(8) . . ?
O2 Eu1 O6 78.02(8) . . ?
O2 Eu1 O5 138.79(8) . . ?
O2 Eu1 O4 77.67(8) . . ?
O2 Eu1 N2 75.00(8) . . ?
O2 Eu1 N1 119.29(9) . . ?
O4 Eu1 N2 148.63(9) . . ?
O4 Eu1 N1 146.58(9) . . ?
N2 Eu1 N1 63.10(9) . . ?
C1 O1 Eu1 135.2(2) . . ?
C16 O3 Eu1 130.3(2) . . ?
C33 O6 Eu1 138.4(2) . . ?
C31 O5 Eu1 138.3(2) . . ?
C3 O2 Eu1 136.4(2) . . ?
C18 O4 Eu1 128.9(2) . . ?
C55 N2 Eu1 121.9(2) . . ?
C55 N2 C56 118.3(3) . . ?
C56 N2 Eu1 118.4(2) . . ?
C57 N1 Eu1 117.6(2) . . ?
C46 N1 Eu1 121.5(2) . . ?
C46 N1 C57 118.8(3) . . ?
C1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C3 C2 C1 122.6(3) . . ?
O1 C1 C2 124.4(3) . . ?
O1 C1 C4 115.0(3) . . ?
C2 C1 C4 120.4(3) . . ?
C9 C4 C1 123.6(3) . . ?
C9 C4 C5 118.4(3) . . ?
C5 C4 C1 118.1(3) . . ?
C45 C40 C33 123.7(3) . . ?
C45 C40 C41 119.0(3) . . ?
C41 C40 C33 117.3(3) . . ?
C10 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C14 C15 C10 120.8(3) . . ?
N1 C57 C56 118.2(3) . . ?
N1 C57 C49 122.2(3) . . ?
C49 C57 C56 119.6(3) . . ?
C39 C34 C31 123.1(3) . . ?
C39 C34 C35 118.8(3) . . ?
C35 C34 C31 118.0(3) . . ?
C15 C10 C3 124.1(3) . . ?
C15 C10 C11 118.7(3) . . ?
C11 C10 C3 117.2(3) . . ?
O2 C3 C2 124.1(3) . . ?
O2 C3 C10 114.2(3) . . ?
C2 C3 C10 121.6(3) . . ?
O5 C31 C34 114.2(3) . . ?
O5 C31 C32 124.4(3) . . ?
C32 C31 C34 121.4(3) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C37 C38 C39 119.0(3) . . ?
C31 C32 H32 118.9 . . ?
C31 C32 C33 122.2(3) . . ?
C33 C32 H32 118.9 . . ?
C20 C19 C24 118.1(3) . . ?
C20 C19 C16 117.7(3) . . ?
C24 C19 C16 124.1(3) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C43 C44 C45 119.5(3) . . ?
C21 C22 Cl3 119.4(3) . . ?
C23 C22 Cl3 119.8(3) . . ?
C23 C22 C21 120.8(3) . . ?
N2 C55 H55 118.5 . . ?
N2 C55 C54 122.9(4) . . ?
C54 C55 H55 118.5 . . ?
C40 C45 H45 119.7 . . ?
C44 C45 C40 120.6(3) . . ?
C44 C45 H45 119.7 . . ?
C4 C9 H9 119.4 . . ?
C8 C9 C4 121.2(3) . . ?
C8 C9 H9 119.4 . . ?
N2 C56 C57 118.5(3) . . ?
N2 C56 C52 122.3(3) . . ?
C52 C56 C57 119.2(3) . . ?
C34 C39 H39 119.7 . . ?
C38 C39 C34 120.6(3) . . ?
C38 C39 H39 119.7 . . ?
O6 C33 C40 115.2(3) . . ?
O6 C33 C32 124.6(3) . . ?
C32 C33 C40 120.1(3) . . ?
C26 C25 C18 117.7(3) . . ?
C30 C25 C18 124.3(3) . . ?
C30 C25 C26 118.0(3) . . ?
C44 C43 Cl6 119.5(3) . . ?
C44 C43 C42 121.4(3) . . ?
C42 C43 Cl6 119.1(3) . . ?
O4 C18 C25 116.1(3) . . ?
O4 C18 C17 123.7(3) . . ?
C17 C18 C25 120.3(3) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5 119.5 . . ?
C43 C42 H42 120.7 . . ?
C41 C42 C43 118.6(3) . . ?
C41 C42 H42 120.7 . . ?
C18 C17 H17 118.1 . . ?
C16 C17 C18 123.8(3) . . ?
C16 C17 H17 118.1 . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.1(3) . . ?
C36 C35 H35 119.5 . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.3(3) . . ?
C12 C13 Cl2 119.2(3) . . ?
C12 C13 C14 120.9(3) . . ?
C14 C13 Cl2 119.9(3) . . ?
C35 C36 H36 120.8 . . ?
C37 C36 C35 118.3(3) . . ?
C37 C36 H36 120.8 . . ?
C40 C41 H41 119.6 . . ?
C42 C41 C40 120.8(3) . . ?
C42 C41 H41 119.6 . . ?
C15 C14 C13 119.3(3) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.9(3) . . ?
C12 C11 H11 119.6 . . ?
C22 C21 H21 120.6 . . ?
C22 C21 C20 118.8(3) . . ?
C20 C21 H21 120.6 . . ?
C6 C7 Cl1 118.9(3) . . ?
C8 C7 Cl1 119.7(3) . . ?
C8 C7 C6 121.4(3) . . ?
C38 C37 Cl5 118.6(3) . . ?
C38 C37 C36 122.3(3) . . ?
C36 C37 Cl5 119.1(3) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.2(4) . . ?
C27 C26 H26 119.4 . . ?
C5 C6 H6 120.5 . . ?
C7 C6 C5 119.1(3) . . ?
C7 C6 H6 120.5 . . ?
N1 C46 H46 118.4 . . ?
N1 C46 C47 123.2(4) . . ?
C47 C46 H46 118.4 . . ?
C19 C20 C21 121.6(3) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C22 C23 H23 120.1 . . ?
C22 C23 C24 119.9(3) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.8(3) . . ?
C23 C24 H24 119.6 . . ?
O3 C16 C19 115.3(3) . . ?
O3 C16 C17 123.7(3) . . ?
C17 C16 C19 121.0(3) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.5(4) . . ?
C28 C27 H27 120.3 . . ?
C25 C30 H30 119.5 . . ?
C29 C30 C25 120.9(4) . . ?
C29 C30 H30 119.5 . . ?
C57 C49 C50 119.6(4) . . ?
C48 C49 C57 117.1(4) . . ?
C48 C49 C50 123.3(4) . . ?
C56 C52 C51 119.0(4) . . ?
C53 C52 C56 117.6(4) . . ?
C53 C52 C51 123.5(4) . . ?
C52 C51 H51 119.2 . . ?
C50 C51 C52 121.7(4) . . ?
C50 C51 H51 119.2 . . ?
C55 C54 H54 120.5 . . ?
C53 C54 C55 119.1(4) . . ?
C53 C54 H54 120.5 . . ?
C27 C28 Cl4 119.4(3) . . ?
C27 C28 C29 120.8(4) . . ?
C29 C28 Cl4 119.8(3) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 C9 119.0(4) . . ?
C7 C8 H8 120.5 . . ?
C52 C53 H53 120.1 . . ?
C54 C53 C52 119.9(4) . . ?
C54 C53 H53 120.1 . . ?
C49 C50 H50 119.5 . . ?
C51 C50 C49 121.0(4) . . ?
C51 C50 H50 119.5 . . ?
C49 C48 H48 119.8 . . ?
C47 C48 C49 120.3(4) . . ?
C47 C48 H48 119.8 . . ?
C30 C29 H29 120.2 . . ?
C28 C29 C30 119.5(4) . . ?
C28 C29 H29 120.2 . . ?
C46 C47 H47 120.9 . . ?
C48 C47 C46 118.3(4) . . ?
C48 C47 H47 120.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 C2 -13.5(5) . . . . ?
Eu1 O1 C1 C4 171.1(2) . . . . ?
Eu1 O3 C16 C19 149.8(2) . . . . ?
Eu1 O3 C16 C17 -30.2(5) . . . . ?
Eu1 O6 C33 C40 -170.7(2) . . . . ?
Eu1 O6 C33 C32 10.5(5) . . . . ?
Eu1 O5 C31 C34 175.9(2) . . . . ?
Eu1 O5 C31 C32 -5.2(5) . . . . ?
Eu1 O2 C3 C2 19.0(5) . . . . ?
Eu1 O2 C3 C10 -163.3(2) . . . . ?
Eu1 O4 C18 C25 -149.4(2) . . . . ?
Eu1 O4 C18 C17 31.2(5) . . . . ?
Eu1 N2 C55 C54 -166.4(3) . . . . ?
Eu1 N2 C56 C57 -15.9(4) . . . . ?
Eu1 N2 C56 C52 165.5(3) . . . . ?
Eu1 N1 C57 C56 16.2(4) . . . . ?
Eu1 N1 C57 C49 -163.3(3) . . . . ?
Eu1 N1 C46 C47 161.7(3) . . . . ?
Cl3 C22 C21 C20 179.2(3) . . . . ?
Cl3 C22 C23 C24 -179.7(3) . . . . ?
Cl2 C13 C14 C15 178.9(3) . . . . ?
Cl6 C43 C42 C41 -178.2(3) . . . . ?
Cl4 C28 C29 C30 179.5(3) . . . . ?
Cl1 C7 C6 C5 179.7(3) . . . . ?
Cl1 C7 C8 C9 178.4(3) . . . . ?
O1 Eu1 O3 C16 129.9(3) . . . . ?
O1 Eu1 O6 C33 154.2(3) . . . . ?
O1 Eu1 O5 C31 -159.3(3) . . . . ?
O1 Eu1 O2 C3 -25.7(3) . . . . ?
O1 Eu1 O4 C18 -130.2(3) . . . . ?
O1 Eu1 N2 C55 -110.6(3) . . . . ?
O1 Eu1 N2 C56 83.2(2) . . . . ?
O1 Eu1 N1 C57 -124.6(2) . . . . ?
O1 Eu1 N1 C46 72.0(3) . . . . ?
O1 C1 C4 C9 -159.2(3) . . . . ?
O1 C1 C4 C5 22.0(4) . . . . ?
O3 Eu1 O1 C1 -126.2(3) . . . . ?
O3 Eu1 O6 C33 -77.3(3) . . . . ?
O3 Eu1 O5 C31 131.6(3) . . . . ?
O3 Eu1 O2 C3 33.3(4) . . . . ?
O3 Eu1 O4 C18 -41.7(3) . . . . ?
O3 Eu1 N2 C55 153.7(2) . . . . ?
O3 Eu1 N2 C56 -12.5(3) . . . . ?
O3 Eu1 N1 C57 144.9(2) . . . . ?
O3 Eu1 N1 C46 -18.6(3) . . . . ?
O6 Eu1 O1 C1 7.8(4) . . . . ?
O6 Eu1 O3 C16 -25.8(3) . . . . ?
O6 Eu1 O5 C31 10.2(3) . . . . ?
O6 Eu1 O2 C3 146.5(3) . . . . ?
O6 Eu1 O4 C18 78.4(3) . . . . ?
O6 Eu1 N2 C55 37.3(3) . . . . ?
O6 Eu1 N2 C56 -128.9(3) . . . . ?
O6 Eu1 N1 C57 31.6(3) . . . . ?
O6 Eu1 N1 C46 -131.8(3) . . . . ?
O5 Eu1 O1 C1 168.6(3) . . . . ?
O5 Eu1 O3 C16 -87.2(3) . . . . ?
O5 Eu1 O6 C33 -12.8(3) . . . . ?
O5 Eu1 O2 C3 -172.6(3) . . . . ?
O5 Eu1 O4 C18 19.0(3) . . . . ?
O5 Eu1 N2 C55 109.5(3) . . . . ?
O5 Eu1 N2 C56 -56.7(2) . . . . ?
O5 Eu1 N1 C57 66.4(2) . . . . ?
O5 Eu1 N1 C46 -97.1(3) . . . . ?
O5 C31 C32 C33 -4.4(5) . . . . ?
O2 Eu1 O1 C1 22.6(3) . . . . ?
O2 Eu1 O3 C16 75.6(3) . . . . ?
O2 Eu1 O6 C33 139.9(3) . . . . ?
O2 Eu1 O5 C31 -32.6(4) . . . . ?
O2 Eu1 O4 C18 158.6(3) . . . . ?
O2 Eu1 N2 C55 -42.5(3) . . . . ?
O2 Eu1 N2 C56 151.3(3) . . . . ?
O2 Eu1 N1 C57 -68.4(3) . . . . ?
O2 Eu1 N1 C46 128.1(3) . . . . ?
O4 Eu1 O1 C1 -55.1(3) . . . . ?
O4 Eu1 O3 C16 41.4(3) . . . . ?
O4 Eu1 O6 C33 -140.3(3) . . . . ?
O4 Eu1 O5 C31 73.3(3) . . . . ?
O4 Eu1 O2 C3 66.3(3) . . . . ?
O4 Eu1 N2 C55 -12.3(4) . . . . ?
O4 Eu1 N2 C56 -178.5(2) . . . . ?
O4 Eu1 N1 C57 177.6(2) . . . . ?
O4 Eu1 N1 C46 14.1(4) . . . . ?
O4 C18 C17 C16 4.1(6) . . . . ?
N2 Eu1 O1 C1 93.9(3) . . . . ?
N2 Eu1 O3 C16 -130.9(3) . . . . ?
N2 Eu1 O6 C33 63.6(3) . . . . ?
N2 Eu1 O5 C31 -76.1(3) . . . . ?
N2 Eu1 O2 C3 -129.3(3) . . . . ?
N2 Eu1 O4 C18 128.7(3) . . . . ?
N2 Eu1 N1 C57 -16.6(2) . . . . ?
N2 Eu1 N1 C46 179.9(3) . . . . ?
N2 C55 C54 C53 1.1(6) . . . . ?
N2 C56 C52 C51 -178.2(3) . . . . ?
N2 C56 C52 C53 1.8(5) . . . . ?
N1 Eu1 O1 C1 152.7(3) . . . . ?
N1 Eu1 O3 C16 -156.9(3) . . . . ?
N1 Eu1 O6 C33 21.3(4) . . . . ?
N1 Eu1 O5 C31 -142.8(3) . . . . ?
N1 Eu1 O2 C3 -82.7(3) . . . . ?
N1 Eu1 O4 C18 -76.1(3) . . . . ?
N1 Eu1 N2 C55 -177.3(3) . . . . ?
N1 Eu1 N2 C56 16.5(2) . . . . ?
N1 C57 C56 N2 -0.4(5) . . . . ?
N1 C57 C56 C52 178.3(3) . . . . ?
N1 C57 C49 C50 179.6(3) . . . . ?
N1 C57 C49 C48 0.7(5) . . . . ?
N1 C46 C47 C48 1.2(6) . . . . ?
C2 C1 C4 C9 25.2(5) . . . . ?
C2 C1 C4 C5 -153.7(3) . . . . ?
C1 C2 C3 O2 5.7(5) . . . . ?
C1 C2 C3 C10 -171.8(3) . . . . ?
C1 C4 C9 C8 -178.6(3) . . . . ?
C1 C4 C5 C6 176.7(3) . . . . ?
C4 C9 C8 C7 2.1(6) . . . . ?
C4 C5 C6 C7 1.8(6) . . . . ?
C15 C10 C3 O2 -164.3(3) . . . . ?
C15 C10 C3 C2 13.5(5) . . . . ?
C15 C10 C11 C12 -0.9(5) . . . . ?
C57 N1 C46 C47 -1.6(6) . . . . ?
C57 C56 C52 C51 3.1(5) . . . . ?
C57 C56 C52 C53 -176.9(3) . . . . ?
C57 C49 C50 C51 0.9(6) . . . . ?
C57 C49 C48 C47 -1.1(6) . . . . ?
C34 C31 C32 C33 174.4(3) . . . . ?
C34 C35 C36 C37 -1.1(6) . . . . ?
C10 C15 C14 C13 1.6(5) . . . . ?
C3 C2 C1 O1 -7.9(5) . . . . ?
C3 C2 C1 C4 167.3(3) . . . . ?
C3 C10 C11 C12 179.7(3) . . . . ?
C31 C34 C39 C38 -175.0(3) . . . . ?
C31 C34 C35 C36 175.7(3) . . . . ?
C31 C32 C33 O6 2.0(5) . . . . ?
C31 C32 C33 C40 -176.8(3) . . . . ?
C44 C43 C42 C41 1.2(6) . . . . ?
C22 C21 C20 C19 1.0(6) . . . . ?
C22 C23 C24 C19 0.0(6) . . . . ?
C55 N2 C56 C57 177.4(3) . . . . ?
C55 N2 C56 C52 -1.2(5) . . . . ?
C55 C54 C53 C52 -0.5(6) . . . . ?
C45 C40 C33 O6 158.7(3) . . . . ?
C45 C40 C33 C32 -22.4(5) . . . . ?
C45 C40 C41 C42 -0.2(5) . . . . ?
C45 C44 C43 Cl6 179.3(3) . . . . ?
C45 C44 C43 C42 -0.1(6) . . . . ?
C9 C4 C5 C6 -2.2(5) . . . . ?
C56 N2 C55 C54 -0.2(5) . . . . ?
C56 C57 C49 C50 0.1(5) . . . . ?
C56 C57 C49 C48 -178.8(3) . . . . ?
C56 C52 C51 C50 -2.2(6) . . . . ?
C56 C52 C53 C54 -0.8(6) . . . . ?
C39 C34 C31 O5 161.3(3) . . . . ?
C39 C34 C31 C32 -17.6(5) . . . . ?
C39 C34 C35 C36 -0.1(5) . . . . ?
C39 C38 C37 Cl5 177.3(3) . . . . ?
C39 C38 C37 C36 -1.3(6) . . . . ?
C33 C40 C45 C44 -177.9(3) . . . . ?
C33 C40 C41 C42 179.0(3) . . . . ?
C25 C18 C17 C16 -175.4(3) . . . . ?
C25 C26 C27 C28 -0.3(7) . . . . ?
C25 C30 C29 C28 -1.7(7) . . . . ?
C43 C44 C45 C40 -1.2(5) . . . . ?
C43 C42 C41 C40 -1.1(6) . . . . ?
C18 C25 C26 C27 -179.6(4) . . . . ?
C18 C25 C30 C29 -179.5(4) . . . . ?
C18 C17 C16 O3 -5.3(6) . . . . ?
C18 C17 C16 C19 174.8(3) . . . . ?
C5 C4 C9 C8 0.3(5) . . . . ?
C35 C34 C31 O5 -14.3(5) . . . . ?
C35 C34 C31 C32 166.8(3) . . . . ?
C35 C34 C39 C38 0.6(5) . . . . ?
C35 C36 C37 Cl5 -176.8(3) . . . . ?
C35 C36 C37 C38 1.8(6) . . . . ?
C12 C13 C14 C15 -1.1(5) . . . . ?
C13 C12 C11 C10 1.4(5) . . . . ?
C41 C40 C45 C44 1.3(5) . . . . ?
C41 C40 C33 O6 -20.5(4) . . . . ?
C41 C40 C33 C32 158.4(3) . . . . ?
C14 C15 C10 C3 178.7(3) . . . . ?
C14 C15 C10 C11 -0.6(5) . . . . ?
C11 C10 C3 O2 15.1(4) . . . . ?
C11 C10 C3 C2 -167.2(3) . . . . ?
C11 C12 C13 Cl2 179.6(3) . . . . ?
C11 C12 C13 C14 -0.4(5) . . . . ?
C21 C22 C23 C24 0.2(6) . . . . ?
C37 C38 C39 C34 0.1(5) . . . . ?
C26 C25 C18 O4 16.1(5) . . . . ?
C26 C25 C18 C17 -164.4(3) . . . . ?
C26 C25 C30 C29 1.4(6) . . . . ?
C26 C27 C28 Cl4 -178.5(3) . . . . ?
C26 C27 C28 C29 0.1(7) . . . . ?
C6 C7 C8 C9 -2.5(6) . . . . ?
C46 N1 C57 C56 -179.9(3) . . . . ?
C46 N1 C57 C49 0.6(5) . . . . ?
C20 C19 C24 C23 0.2(6) . . . . ?
C20 C19 C16 O3 -9.4(5) . . . . ?
C20 C19 C16 C17 170.6(3) . . . . ?
C23 C22 C21 C20 -0.7(6) . . . . ?
C24 C19 C20 C21 -0.7(6) . . . . ?
C24 C19 C16 O3 171.9(3) . . . . ?
C24 C19 C16 C17 -8.1(5) . . . . ?
C16 C19 C20 C21 -179.5(4) . . . . ?
C16 C19 C24 C23 178.9(3) . . . . ?
C27 C28 C29 C30 0.9(7) . . . . ?
C30 C25 C18 O4 -163.0(4) . . . . ?
C30 C25 C18 C17 16.5(5) . . . . ?
C30 C25 C26 C27 -0.4(6) . . . . ?
C49 C57 C56 N2 179.2(3) . . . . ?
C49 C57 C56 C52 -2.1(5) . . . . ?
C49 C48 C47 C46 0.2(6) . . . . ?
C52 C51 C50 C49 0.1(7) . . . . ?
C51 C52 C53 C54 179.1(4) . . . . ?
C8 C7 C6 C5 0.6(6) . . . . ?
C53 C52 C51 C50 177.8(4) . . . . ?
C50 C49 C48 C47 -179.9(4) . . . . ?
C48 C49 C50 C51 179.7(4) . . . . ?


_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_q_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2301533'
loop_
_audit_author_name
_audit_author_address
'Victoria Gontcharenko'
;MSU
Russia
;
_audit_update_record             
;
2023-10-16 deposited with the CCDC.	2025-01-03 downloaded from the CCDC.
;
_audit_creation_date             2023-10-16
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C57 H35 Eu I6 N2 O6'
_chemical_formula_sum            'C57 H35 Eu I6 N2 O6'
_chemical_formula_weight         1757.23
_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'
I I -0.4742 1.8119 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.002(2)
_cell_length_b                   18.604(3)
_cell_length_c                   20.390(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.521(5)
_cell_angle_gamma                90.00
_cell_volume                     5673.0(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9914
_cell_measurement_temperature    120.00
_cell_measurement_theta_max      30.20
_cell_measurement_theta_min      2.41
_exptl_absorpt_coefficient_mu    4.420
_exptl_absorpt_correction_T_max  0.6478
_exptl_absorpt_correction_T_min  0.4167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1133 before and 0.0660 after correction.
The Ratio of minimum to maximum transmission is 0.6433.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3280
_exptl_crystal_size_max          0.099
_exptl_crystal_size_mid          0.092
_exptl_crystal_size_min          0.078
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            62949
_diffrn_reflns_theta_full        30.56
_diffrn_reflns_theta_max         30.56
_diffrn_reflns_theta_min         1.63
_diffrn_ambient_temperature      120.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III detector'
_diffrn_measurement_method       'phi and omega shutterless scans'
_diffrn_radiation_monochromator  ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                12997
_reflns_number_total             17347
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.800
_refine_diff_density_min         -1.718
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         17347
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0391
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0092P)²+3.8380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0715
_refine_ls_wR_factor_ref         0.0784
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(I2) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 C39(H39), C11(H11), C30(H30), C29(H29), C2(H2), C15(H15), C38(H38), C8(H8),
 C5(H5), C6(H6), C41(H41), C9(H9), C17(H17), C27(H27), C55(H55), C12(H12),
 C36(H36), C46(H46), C32(H32), C35(H35), C24(H24), C45(H45), C44(H44), C26(H26),
  C53(H53), C21(H21), C14(H14), C23(H23), C20(H20), C54(H54), C50(H50),
 C48(H48), C42(H42), C51(H51), C47(H47)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.361657(12) 0.558777(10) 0.792333(9) 0.01239(4) Uani 1 1 d . . .
I4 I 0.668562(17) 0.577940(15) 0.425021(13) 0.02097(6) Uani 1 1 d . . .
I1 I -0.108185(19) 0.623634(18) 1.048763(14) 0.03029(7) Uani 1 1 d . . .
I5 I -0.152080(19) 0.287850(18) 0.800212(16) 0.03236(8) Uani 1 1 d . . .
I3 I -0.183004(19) 0.689634(19) 0.594373(16) 0.03420(8) Uani 1 1 d . . .
I6 I 0.70038(2) 0.19497(2) 0.632801(19) 0.04315(10) Uani 1 1 d . . .
I2 I 0.64956(2) 0.97688(2) 0.93948(2) 0.05946(13) Uani 1 1 d U . .
O2 O 0.41406(17) 0.66669(14) 0.84028(13) 0.0162(6) Uani 1 1 d . . .
O4 O 0.41706(17) 0.59785(16) 0.69522(13) 0.0182(6) Uani 1 1 d . . .
O1 O 0.26549(17) 0.59404(14) 0.87040(13) 0.0165(6) Uani 1 1 d . . .
O5 O 0.24739(17) 0.47252(15) 0.78030(14) 0.0213(6) Uani 1 1 d . . .
O3 O 0.24924(17) 0.62375(16) 0.72981(13) 0.0203(6) Uani 1 1 d . . .
O6 O 0.41845(18) 0.45209(15) 0.75136(14) 0.0206(6) Uani 1 1 d . . .
N1 N 0.4125(2) 0.48523(18) 0.89712(16) 0.0184(7) Uani 1 1 d . . .
N2 N 0.5349(2) 0.54375(18) 0.82088(16) 0.0176(7) Uani 1 1 d . . .
C28 C 0.5731(2) 0.5888(2) 0.49301(19) 0.0179(8) Uani 1 1 d . . .
C3 C 0.3809(2) 0.7180(2) 0.87122(18) 0.0153(8) Uani 1 1 d . . .
C7 C 0.0057(2) 0.6356(2) 0.99696(19) 0.0194(8) Uani 1 1 d . . .
C39 C 0.1326(3) 0.3022(2) 0.78247(19) 0.0197(8) Uani 1 1 d . . .
H39 H 0.1812 0.2693 0.7843 0.024 Uiso 1 1 calc R . .
C11 C 0.5320(3) 0.7731(2) 0.8799(2) 0.0202(8) Uani 1 1 d . . .
H11 H 0.5535 0.7282 0.8655 0.024 Uiso 1 1 calc R . .
C10 C 0.4407(2) 0.7819(2) 0.88551(18) 0.0151(7) Uani 1 1 d . . .
C56 C 0.5630(3) 0.4926(2) 0.86504(19) 0.0181(8) Uani 1 1 d . . .
C1 C 0.2444(2) 0.6528(2) 0.89580(17) 0.0133(7) Uani 1 1 d . . .
C30 C 0.4334(3) 0.6354(2) 0.52330(19) 0.0206(8) Uani 1 1 d . . .
H30 H 0.3805 0.6625 0.5127 0.025 Uiso 1 1 calc R . .
C29 C 0.4959(3) 0.6284(2) 0.4774(2) 0.0210(9) Uani 1 1 d . . .
H29 H 0.4861 0.6505 0.4354 0.025 Uiso 1 1 calc R . .
C34 C 0.1484(3) 0.3751(2) 0.77293(18) 0.0168(8) Uani 1 1 d . . .
C2 C 0.2949(2) 0.7159(2) 0.89555(19) 0.0171(8) Uani 1 1 d . . .
H2 H 0.2708 0.7588 0.9122 0.020 Uiso 1 1 calc R . .
C18 C 0.3830(2) 0.6097(2) 0.63718(19) 0.0166(8) Uani 1 1 d . . .
C40 C 0.4653(2) 0.3387(2) 0.71868(19) 0.0170(8) Uani 1 1 d . . .
C4 C 0.1607(2) 0.6502(2) 0.93152(18) 0.0144(7) Uani 1 1 d . . .
C25 C 0.4468(2) 0.6035(2) 0.58460(19) 0.0154(8) Uani 1 1 d . . .
C15 C 0.4105(3) 0.8479(2) 0.9046(2) 0.0260(10) Uani 1 1 d . . .
H15 H 0.3483 0.8548 0.9085 0.031 Uiso 1 1 calc R . .
C33 C 0.3951(3) 0.3870(2) 0.74226(18) 0.0180(8) Uani 1 1 d . . .
C38 C 0.0470(3) 0.2772(2) 0.7893(2) 0.0229(9) Uani 1 1 d . . .
H38 H 0.0366 0.2276 0.7963 0.027 Uiso 1 1 calc R . .
C8 C 0.0592(3) 0.6952(2) 1.00839(19) 0.0204(8) Uani 1 1 d . . .
H8 H 0.0437 0.7309 1.0388 0.024 Uiso 1 1 calc R . .
C57 C 0.4983(3) 0.4623(2) 0.90672(19) 0.0181(8) Uani 1 1 d . . .
C5 C 0.1057(3) 0.5894(2) 0.92162(19) 0.0184(8) Uani 1 1 d . . .
H5 H 0.1221 0.5525 0.8927 0.022 Uiso 1 1 calc R . .
C6 C 0.0278(3) 0.5824(2) 0.9534(2) 0.0223(9) Uani 1 1 d . . .
H6 H -0.0100 0.5418 0.9454 0.027 Uiso 1 1 calc R . .
C41 C 0.5517(3) 0.3659(2) 0.7179(2) 0.0237(9) Uani 1 1 d . . .
H41 H 0.5645 0.4129 0.7343 0.028 Uiso 1 1 calc R . .
C9 C 0.1356(3) 0.7028(2) 0.97519(19) 0.0189(8) Uani 1 1 d . . .
H9 H 0.1716 0.7445 0.9823 0.023 Uiso 1 1 calc R . .
C17 C 0.2933(3) 0.6257(2) 0.62174(19) 0.0197(8) Uani 1 1 d . . .
H17 H 0.2734 0.6328 0.5768 0.024 Uiso 1 1 calc R . .
C27 C 0.5874(3) 0.5553(2) 0.5538(2) 0.0231(9) Uani 1 1 d . . .
H27 H 0.6398 0.5276 0.5643 0.028 Uiso 1 1 calc R . .
C55 C 0.5933(3) 0.5704(2) 0.7820(2) 0.0235(9) Uani 1 1 d . . .
H55 H 0.5741 0.6068 0.7514 0.028 Uiso 1 1 calc R . .
C12 C 0.5917(3) 0.8281(2) 0.8949(2) 0.0240(9) Uani 1 1 d . . .
H12 H 0.6540 0.8209 0.8920 0.029 Uiso 1 1 calc R . .
C31 C 0.2402(2) 0.4059(2) 0.76859(18) 0.0167(8) Uani 1 1 d . . .
C22 C -0.0462(3) 0.6720(3) 0.6167(2) 0.0255(10) Uani 1 1 d . . .
C36 C -0.0096(3) 0.3974(2) 0.7747(2) 0.0246(9) Uani 1 1 d . . .
H36 H -0.0588 0.4297 0.7713 0.030 Uiso 1 1 calc R . .
C46 C 0.3544(3) 0.4585(2) 0.9359(2) 0.0241(9) Uani 1 1 d . . .
H46 H 0.2940 0.4739 0.9296 0.029 Uiso 1 1 calc R . .
C19 C 0.1350(2) 0.6475(2) 0.64847(19) 0.0182(8) Uani 1 1 d . . .
C16 C 0.2310(3) 0.6321(2) 0.66859(19) 0.0167(8) Uani 1 1 d . . .
C32 C 0.3097(3) 0.3608(2) 0.7510(2) 0.0206(8) Uani 1 1 d . . .
H32 H 0.2981 0.3110 0.7448 0.025 Uiso 1 1 calc R . .
C35 C 0.0762(3) 0.4225(2) 0.7684(2) 0.0226(9) Uani 1 1 d . . .
H35 H 0.0859 0.4722 0.7610 0.027 Uiso 1 1 calc R . .
C37 C -0.0233(3) 0.3256(2) 0.7859(2) 0.0218(9) Uani 1 1 d . . .
C24 C 0.1052(3) 0.6790(3) 0.5888(2) 0.0319(11) Uani 1 1 d . . .
H24 H 0.1473 0.6916 0.5583 0.038 Uiso 1 1 calc R . .
C45 C 0.4482(3) 0.2700(2) 0.6946(2) 0.0236(9) Uani 1 1 d . . .
H45 H 0.3897 0.2507 0.6949 0.028 Uiso 1 1 calc R . .
C44 C 0.5155(3) 0.2292(2) 0.6703(2) 0.0260(10) Uani 1 1 d . . .
H44 H 0.5031 0.1823 0.6535 0.031 Uiso 1 1 calc R . .
C52 C 0.6526(3) 0.4674(2) 0.8722(2) 0.0249(9) Uani 1 1 d . . .
C26 C 0.5236(3) 0.5632(2) 0.5989(2) 0.0218(9) Uani 1 1 d . . .
H26 H 0.5327 0.5404 0.6406 0.026 Uiso 1 1 calc R . .
C13 C 0.5597(3) 0.8937(3) 0.9141(2) 0.0278(10) Uani 1 1 d . . .
C53 C 0.7109(3) 0.4962(3) 0.8292(2) 0.0318(11) Uani 1 1 d . . .
H53 H 0.7712 0.4801 0.8312 0.038 Uiso 1 1 calc R . .
C43 C 0.6004(3) 0.2572(2) 0.6705(2) 0.0213(9) Uani 1 1 d . . .
C21 C -0.0178(3) 0.6405(3) 0.6759(2) 0.0321(11) Uani 1 1 d . . .
H21 H -0.0602 0.6271 0.7060 0.039 Uiso 1 1 calc R . .
C14 C 0.4690(3) 0.9045(3) 0.9183(2) 0.0319(11) Uani 1 1 d . . .
H14 H 0.4472 0.9501 0.9304 0.038 Uiso 1 1 calc R . .
C23 C 0.0149(3) 0.6925(3) 0.5732(2) 0.0329(12) Uani 1 1 d . . .
H23 H -0.0046 0.7155 0.5330 0.039 Uiso 1 1 calc R . .
C49 C 0.5265(3) 0.4119(2) 0.9546(2) 0.0240(9) Uani 1 1 d . . .
C20 C 0.0724(3) 0.6285(3) 0.6916(2) 0.0279(10) Uani 1 1 d . . .
H20 H 0.0916 0.6069 0.7325 0.033 Uiso 1 1 calc R . .
C54 C 0.6823(3) 0.5470(3) 0.7842(2) 0.0306(11) Uani 1 1 d . . .
H54 H 0.7221 0.5664 0.7548 0.037 Uiso 1 1 calc R . .
C50 C 0.6190(3) 0.3895(3) 0.9609(2) 0.0320(11) Uani 1 1 d . . .
H50 H 0.6383 0.3559 0.9940 0.038 Uiso 1 1 calc R . .
C48 C 0.4642(3) 0.3861(3) 0.9954(2) 0.0329(11) Uani 1 1 d . . .
H48 H 0.4816 0.3530 1.0295 0.039 Uiso 1 1 calc R . .
C42 C 0.6193(3) 0.3254(2) 0.6937(2) 0.0256(10) Uani 1 1 d . . .
H42 H 0.6780 0.3445 0.6931 0.031 Uiso 1 1 calc R . .
C51 C 0.6778(3) 0.4152(3) 0.9210(2) 0.0327(11) Uani 1 1 d . . .
H51 H 0.7377 0.3983 0.9254 0.039 Uiso 1 1 calc R . .
C47 C 0.3770(3) 0.4087(3) 0.9860(2) 0.0309(10) Uani 1 1 d . . .
H47 H 0.3330 0.3910 1.0129 0.037 Uiso 1 1 calc R . .


_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 O2 2.342(3) . ?
Eu1 O4 2.324(3) . ?
Eu1 O1 2.325(3) . ?
Eu1 O5 2.347(3) . ?
Eu1 O3 2.365(3) . ?
Eu1 O6 2.340(3) . ?
Eu1 N1 2.600(3) . ?
Eu1 N2 2.634(3) . ?
I4 C28 2.080(4) . ?
I1 C7 2.090(4) . ?
I5 C37 2.098(4) . ?
I3 C22 2.092(4) . ?
I6 C43 2.090(4) . ?
I2 C13 2.091(4) . ?
O2 C3 1.267(4) . ?
O4 C18 1.270(4) . ?
O1 C1 1.260(4) . ?
O5 C31 1.266(5) . ?
O3 C16 1.266(4) . ?
O6 C33 1.269(5) . ?
N1 C57 1.355(5) . ?
N1 C46 1.320(5) . ?
N2 C56 1.355(5) . ?
N2 C55 1.322(5) . ?
C28 C29 1.388(5) . ?
C28 C27 1.389(6) . ?
C3 C10 1.504(5) . ?
C3 C2 1.419(5) . ?
C7 C8 1.379(6) . ?
C7 C6 1.387(6) . ?
C39 H39 0.9500 . ?
C39 C34 1.393(5) . ?
C39 C38 1.384(5) . ?
C11 H11 0.9500 . ?
C11 C10 1.393(5) . ?
C11 C12 1.378(6) . ?
C10 C15 1.377(6) . ?
C56 C57 1.453(6) . ?
C56 C52 1.420(5) . ?
C1 C2 1.398(5) . ?
C1 C4 1.501(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.383(5) . ?
C30 C25 1.384(5) . ?
C29 H29 0.9500 . ?
C34 C31 1.500(5) . ?
C34 C35 1.394(5) . ?
C2 H2 0.9500 . ?
C18 C25 1.497(5) . ?
C18 C17 1.391(5) . ?
C40 C33 1.493(5) . ?
C40 C41 1.392(5) . ?
C40 C45 1.386(6) . ?
C4 C5 1.405(5) . ?
C4 C9 1.395(5) . ?
C25 C26 1.385(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.384(6) . ?
C33 C32 1.396(5) . ?
C38 H38 0.9500 . ?
C38 C37 1.384(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(5) . ?
C57 C49 1.396(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(5) . ?
C6 H6 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.385(6) . ?
C9 H9 0.9500 . ?
C17 H17 0.9500 . ?
C17 C16 1.393(5) . ?
C27 H27 0.9500 . ?
C27 C26 1.386(5) . ?
C55 H55 0.9500 . ?
C55 C54 1.401(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.380(6) . ?
C31 C32 1.406(5) . ?
C22 C21 1.379(6) . ?
C22 C23 1.379(6) . ?
C36 H36 0.9500 . ?
C36 C35 1.385(5) . ?
C36 C37 1.373(6) . ?
C46 H46 0.9500 . ?
C46 C47 1.400(6) . ?
C19 C16 1.494(5) . ?
C19 C24 1.393(6) . ?
C19 C20 1.382(6) . ?
C32 H32 0.9500 . ?
C35 H35 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.390(6) . ?
C45 H45 0.9500 . ?
C45 C44 1.386(6) . ?
C44 H44 0.9500 . ?
C44 C43 1.375(6) . ?
C52 C53 1.395(6) . ?
C52 C51 1.420(6) . ?
C26 H26 0.9500 . ?
C13 C14 1.385(6) . ?
C53 H53 0.9500 . ?
C53 C54 1.363(7) . ?
C43 C42 1.375(6) . ?
C21 H21 0.9500 . ?
C21 C20 1.385(6) . ?
C14 H14 0.9500 . ?
C23 H23 0.9500 . ?
C49 C50 1.444(6) . ?
C49 C48 1.385(6) . ?
C20 H20 0.9500 . ?
C54 H54 0.9500 . ?
C50 H50 0.9500 . ?
C50 C51 1.334(7) . ?
C48 H48 0.9500 . ?
C48 C47 1.373(6) . ?
C42 H42 0.9500 . ?
C51 H51 0.9500 . ?
C47 H47 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
O2 Eu1 O5 148.03(9) . . ?
O2 Eu1 O3 89.34(10) . . ?
O2 Eu1 N1 92.35(10) . . ?
O2 Eu1 N2 72.88(10) . . ?
O4 Eu1 O2 87.52(10) . . ?
O4 Eu1 O1 141.07(10) . . ?
O4 Eu1 O5 115.61(10) . . ?
O4 Eu1 O3 70.64(9) . . ?
O4 Eu1 O6 78.25(10) . . ?
O4 Eu1 N1 139.75(10) . . ?
O4 Eu1 N2 78.95(10) . . ?
O1 Eu1 O2 71.24(9) . . ?
O1 Eu1 O5 77.12(9) . . ?
O1 Eu1 O3 76.72(9) . . ?
O1 Eu1 O6 138.30(10) . . ?
O1 Eu1 N1 75.15(10) . . ?
O1 Eu1 N2 122.24(10) . . ?
O5 Eu1 O3 79.00(10) . . ?
O5 Eu1 N1 83.73(10) . . ?
O5 Eu1 N2 130.59(10) . . ?
O3 Eu1 N1 149.60(10) . . ?
O3 Eu1 N2 145.39(10) . . ?
O6 Eu1 O2 139.16(9) . . ?
O6 Eu1 O5 70.50(9) . . ?
O6 Eu1 O3 120.36(10) . . ?
O6 Eu1 N1 75.85(10) . . ?
O6 Eu1 N2 66.93(10) . . ?
N1 Eu1 N2 62.74(10) . . ?
C3 O2 Eu1 136.2(2) . . ?
C18 O4 Eu1 134.7(2) . . ?
C1 O1 Eu1 135.7(2) . . ?
C31 O5 Eu1 137.8(2) . . ?
C16 O3 Eu1 133.1(2) . . ?
C33 O6 Eu1 139.2(3) . . ?
C57 N1 Eu1 119.9(2) . . ?
C46 N1 Eu1 121.7(3) . . ?
C46 N1 C57 117.3(4) . . ?
C56 N2 Eu1 118.1(3) . . ?
C55 N2 Eu1 121.1(3) . . ?
C55 N2 C56 118.4(4) . . ?
C29 C28 I4 120.3(3) . . ?
C29 C28 C27 120.7(4) . . ?
C27 C28 I4 119.0(3) . . ?
O2 C3 C10 116.1(3) . . ?
O2 C3 C2 123.9(4) . . ?
C2 C3 C10 119.9(3) . . ?
C8 C7 I1 119.2(3) . . ?
C8 C7 C6 121.2(4) . . ?
C6 C7 I1 119.6(3) . . ?
C34 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C38 C39 C34 120.7(4) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C12 C11 C10 121.4(4) . . ?
C11 C10 C3 117.8(3) . . ?
C15 C10 C3 123.7(3) . . ?
C15 C10 C11 118.4(4) . . ?
N2 C56 C57 118.3(3) . . ?
N2 C56 C52 122.9(4) . . ?
C52 C56 C57 118.8(4) . . ?
O1 C1 C2 125.0(3) . . ?
O1 C1 C4 114.7(3) . . ?
C2 C1 C4 120.2(3) . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C25 120.8(4) . . ?
C25 C30 H30 119.6 . . ?
C28 C29 H29 120.3 . . ?
C30 C29 C28 119.5(4) . . ?
C30 C29 H29 120.3 . . ?
C39 C34 C31 123.1(4) . . ?
C39 C34 C35 119.0(4) . . ?
C35 C34 C31 117.9(4) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 C3 122.2(4) . . ?
C1 C2 H2 118.9 . . ?
O4 C18 C25 114.9(3) . . ?
O4 C18 C17 124.0(3) . . ?
C17 C18 C25 121.1(3) . . ?
C41 C40 C33 117.8(4) . . ?
C45 C40 C33 123.6(4) . . ?
C45 C40 C41 118.5(4) . . ?
C5 C4 C1 117.4(3) . . ?
C9 C4 C1 124.4(4) . . ?
C9 C4 C5 118.2(3) . . ?
C30 C25 C18 123.9(3) . . ?
C30 C25 C26 118.8(4) . . ?
C26 C25 C18 117.3(3) . . ?
C10 C15 H15 119.4 . . ?
C10 C15 C14 121.1(4) . . ?
C14 C15 H15 119.4 . . ?
O6 C33 C40 115.3(3) . . ?
O6 C33 C32 124.0(4) . . ?
C32 C33 C40 120.6(4) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 C39 119.1(4) . . ?
C37 C38 H38 120.5 . . ?
C7 C8 H8 120.2 . . ?
C7 C8 C9 119.5(4) . . ?
C9 C8 H8 120.2 . . ?
N1 C57 C56 117.6(3) . . ?
N1 C57 C49 123.0(4) . . ?
C49 C57 C56 119.3(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.0(4) . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 119.0(4) . . ?
C7 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
C40 C41 H41 119.5 . . ?
C42 C41 C40 121.0(4) . . ?
C42 C41 H41 119.5 . . ?
C4 C9 H9 119.5 . . ?
C8 C9 C4 121.0(4) . . ?
C8 C9 H9 119.5 . . ?
C18 C17 H17 118.2 . . ?
C18 C17 C16 123.6(4) . . ?
C16 C17 H17 118.2 . . ?
C28 C27 H27 120.7 . . ?
C26 C27 C28 118.6(4) . . ?
C26 C27 H27 120.7 . . ?
N2 C55 H55 118.7 . . ?
N2 C55 C54 122.7(4) . . ?
C54 C55 H55 118.7 . . ?
C11 C12 H12 120.5 . . ?
C11 C12 C13 119.0(4) . . ?
C13 C12 H12 120.5 . . ?
O5 C31 C34 115.3(3) . . ?
O5 C31 C32 125.3(4) . . ?
C32 C31 C34 119.4(4) . . ?
C21 C22 I3 119.2(3) . . ?
C21 C22 C23 120.4(4) . . ?
C23 C22 I3 120.5(3) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C37 C36 C35 119.7(4) . . ?
N1 C46 H46 118.2 . . ?
N1 C46 C47 123.6(4) . . ?
C47 C46 H46 118.2 . . ?
C24 C19 C16 123.8(4) . . ?
C20 C19 C16 117.7(4) . . ?
C20 C19 C24 118.5(4) . . ?
O3 C16 C17 124.1(4) . . ?
O3 C16 C19 115.0(3) . . ?
C17 C16 C19 120.8(3) . . ?
C33 C32 C31 122.1(4) . . ?
C33 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.3(4) . . ?
C36 C35 H35 119.9 . . ?
C38 C37 I5 118.8(3) . . ?
C36 C37 I5 120.0(3) . . ?
C36 C37 C38 121.2(4) . . ?
C19 C24 H24 119.5 . . ?
C23 C24 C19 121.0(4) . . ?
C23 C24 H24 119.5 . . ?
C40 C45 H45 119.6 . . ?
C40 C45 C44 120.8(4) . . ?
C44 C45 H45 119.6 . . ?
C45 C44 H44 120.3 . . ?
C43 C44 C45 119.4(4) . . ?
C43 C44 H44 120.3 . . ?
C53 C52 C56 116.3(4) . . ?
C53 C52 C51 123.9(4) . . ?
C51 C52 C56 119.7(4) . . ?
C25 C26 C27 121.5(4) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C12 C13 I2 119.6(3) . . ?
C12 C13 C14 120.8(4) . . ?
C14 C13 I2 119.7(3) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 C52 120.7(4) . . ?
C54 C53 H53 119.7 . . ?
C44 C43 I6 118.7(3) . . ?
C42 C43 I6 120.2(3) . . ?
C42 C43 C44 121.2(4) . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 120.0(4) . . ?
C20 C21 H21 120.0 . . ?
C15 C14 C13 119.2(4) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
C22 C23 C24 119.3(4) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C57 C49 C50 119.5(4) . . ?
C48 C49 C57 118.1(4) . . ?
C48 C49 C50 122.5(4) . . ?
C19 C20 C21 120.8(4) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C55 C54 H54 120.5 . . ?
C53 C54 C55 119.0(4) . . ?
C53 C54 H54 120.5 . . ?
C49 C50 H50 119.3 . . ?
C51 C50 C49 121.3(4) . . ?
C51 C50 H50 119.3 . . ?
C49 C48 H48 120.3 . . ?
C47 C48 C49 119.4(4) . . ?
C47 C48 H48 120.3 . . ?
C41 C42 H42 120.5 . . ?
C43 C42 C41 119.1(4) . . ?
C43 C42 H42 120.5 . . ?
C52 C51 H51 119.4 . . ?
C50 C51 C52 121.3(4) . . ?
C50 C51 H51 119.4 . . ?
C46 C47 H47 120.7 . . ?
C48 C47 C46 118.6(4) . . ?
C48 C47 H47 120.7 . . ?

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
Eu1 O2 C3 C10 -172.6(2) . . . . ?
Eu1 O2 C3 C2 11.3(6) . . . . ?
Eu1 O4 C18 C25 -154.5(3) . . . . ?
Eu1 O4 C18 C17 24.2(6) . . . . ?
Eu1 O1 C1 C2 -19.0(6) . . . . ?
Eu1 O1 C1 C4 164.5(2) . . . . ?
Eu1 O5 C31 C34 174.0(3) . . . . ?
Eu1 O5 C31 C32 -7.5(6) . . . . ?
Eu1 O3 C16 C17 -25.5(6) . . . . ?
Eu1 O3 C16 C19 152.8(3) . . . . ?
Eu1 O6 C33 C40 -174.5(3) . . . . ?
Eu1 O6 C33 C32 7.6(6) . . . . ?
Eu1 N1 C57 C56 12.7(5) . . . . ?
Eu1 N1 C57 C49 -167.7(3) . . . . ?
Eu1 N1 C46 C47 168.6(3) . . . . ?
Eu1 N2 C56 C57 -16.1(5) . . . . ?
Eu1 N2 C56 C52 163.9(3) . . . . ?
Eu1 N2 C55 C54 -161.2(3) . . . . ?
I4 C28 C29 C30 -179.6(3) . . . . ?
I4 C28 C27 C26 179.7(3) . . . . ?
I1 C7 C8 C9 178.8(3) . . . . ?
I1 C7 C6 C5 -177.0(3) . . . . ?
I3 C22 C21 C20 -180.0(4) . . . . ?
I3 C22 C23 C24 -178.9(4) . . . . ?
I6 C43 C42 C41 179.4(3) . . . . ?
I2 C13 C14 C15 -176.7(4) . . . . ?
O2 Eu1 O4 C18 -121.2(4) . . . . ?
O2 Eu1 O1 C1 25.4(3) . . . . ?
O2 Eu1 O5 C31 -151.0(3) . . . . ?
O2 Eu1 O3 C16 119.0(4) . . . . ?
O2 Eu1 O6 C33 154.4(4) . . . . ?
O2 Eu1 N1 C57 -83.7(3) . . . . ?
O2 Eu1 N1 C46 108.3(3) . . . . ?
O2 Eu1 N2 C56 117.4(3) . . . . ?
O2 Eu1 N2 C55 -80.5(3) . . . . ?
O2 C3 C10 C11 -16.4(5) . . . . ?
O2 C3 C10 C15 164.6(4) . . . . ?
O2 C3 C2 C1 9.6(6) . . . . ?
O4 Eu1 O2 C3 125.4(4) . . . . ?
O4 Eu1 O1 C1 -35.1(4) . . . . ?
O4 Eu1 O5 C31 76.3(4) . . . . ?
O4 Eu1 O3 C16 31.4(3) . . . . ?
O4 Eu1 O6 C33 -133.6(4) . . . . ?
O4 Eu1 N1 C57 5.2(4) . . . . ?
O4 Eu1 N1 C46 -162.8(3) . . . . ?
O4 Eu1 N2 C56 -151.8(3) . . . . ?
O4 Eu1 N2 C55 10.3(3) . . . . ?
O4 C18 C25 C30 -158.3(4) . . . . ?
O4 C18 C25 C26 21.7(5) . . . . ?
O4 C18 C17 C16 1.3(7) . . . . ?
O1 Eu1 O2 C3 -21.4(3) . . . . ?
O1 Eu1 O4 C18 -65.7(4) . . . . ?
O1 Eu1 O5 C31 -142.8(4) . . . . ?
O1 Eu1 O3 C16 -170.1(4) . . . . ?
O1 Eu1 O6 C33 30.4(4) . . . . ?
O1 Eu1 N1 C57 -153.6(3) . . . . ?
O1 Eu1 N1 C46 38.4(3) . . . . ?
O1 Eu1 N2 C56 63.7(3) . . . . ?
O1 Eu1 N2 C55 -134.2(3) . . . . ?
O1 C1 C2 C3 -6.0(6) . . . . ?
O1 C1 C4 C5 -13.0(5) . . . . ?
O1 C1 C4 C9 164.9(4) . . . . ?
O5 Eu1 O2 C3 -13.0(5) . . . . ?
O5 Eu1 O4 C18 35.8(4) . . . . ?
O5 Eu1 O1 C1 -150.1(4) . . . . ?
O5 Eu1 O3 C16 -90.9(4) . . . . ?
O5 Eu1 O6 C33 -10.7(4) . . . . ?
O5 Eu1 N1 C57 128.1(3) . . . . ?
O5 Eu1 N1 C46 -39.9(3) . . . . ?
O5 Eu1 N2 C56 -37.5(3) . . . . ?
O5 Eu1 N2 C55 124.7(3) . . . . ?
O5 C31 C32 C33 -2.3(6) . . . . ?
O3 Eu1 O2 C3 54.7(4) . . . . ?
O3 Eu1 O4 C18 -31.1(4) . . . . ?
O3 Eu1 O1 C1 -68.5(3) . . . . ?
O3 Eu1 O5 C31 138.5(4) . . . . ?
O3 Eu1 O6 C33 -74.5(4) . . . . ?
O3 Eu1 N1 C57 -176.4(3) . . . . ?
O3 Eu1 N1 C46 15.6(4) . . . . ?
O3 Eu1 N2 C56 179.5(2) . . . . ?
O3 Eu1 N2 C55 -18.3(4) . . . . ?
O6 Eu1 O2 C3 -165.8(3) . . . . ?
O6 Eu1 O4 C18 97.3(4) . . . . ?
O6 Eu1 O1 C1 170.4(3) . . . . ?
O6 Eu1 O5 C31 10.5(4) . . . . ?
O6 Eu1 O3 C16 -31.4(4) . . . . ?
O6 Eu1 N1 C57 56.7(3) . . . . ?
O6 Eu1 N1 C46 -111.3(3) . . . . ?
O6 Eu1 N2 C56 -70.0(3) . . . . ?
O6 Eu1 N2 C55 92.1(3) . . . . ?
O6 C33 C32 C31 2.4(6) . . . . ?
N1 Eu1 O2 C3 -94.9(4) . . . . ?
N1 Eu1 O4 C18 148.1(3) . . . . ?
N1 Eu1 O1 C1 123.1(4) . . . . ?
N1 Eu1 O5 C31 -66.7(4) . . . . ?
N1 Eu1 O3 C16 -147.5(3) . . . . ?
N1 Eu1 O6 C33 77.5(4) . . . . ?
N1 Eu1 N2 C56 15.4(3) . . . . ?
N1 Eu1 N2 C55 177.6(3) . . . . ?
N1 C57 C49 C50 179.0(4) . . . . ?
N1 C57 C49 C48 -2.1(6) . . . . ?
N1 C46 C47 C48 -0.2(7) . . . . ?
N2 Eu1 O2 C3 -155.4(4) . . . . ?
N2 Eu1 O4 C18 165.7(4) . . . . ?
N2 Eu1 O1 C1 79.8(4) . . . . ?
N2 Eu1 O5 C31 -21.2(4) . . . . ?
N2 Eu1 O3 C16 61.4(4) . . . . ?
N2 Eu1 O6 C33 143.6(4) . . . . ?
N2 Eu1 N1 C57 -14.4(3) . . . . ?
N2 Eu1 N1 C46 177.7(4) . . . . ?
N2 C56 C57 N1 2.5(5) . . . . ?
N2 C56 C57 C49 -177.1(4) . . . . ?
N2 C56 C52 C53 -2.5(6) . . . . ?
N2 C56 C52 C51 178.0(4) . . . . ?
N2 C55 C54 C53 -1.7(7) . . . . ?
C28 C27 C26 C25 -0.1(7) . . . . ?
C3 C10 C15 C14 178.8(4) . . . . ?
C7 C8 C9 C4 -1.6(6) . . . . ?
C39 C34 C31 O5 -159.0(4) . . . . ?
C39 C34 C31 C32 22.4(6) . . . . ?
C39 C34 C35 C36 1.3(6) . . . . ?
C39 C38 C37 I5 -177.5(3) . . . . ?
C39 C38 C37 C36 1.0(6) . . . . ?
C11 C10 C15 C14 -0.2(7) . . . . ?
C11 C12 C13 I2 178.3(3) . . . . ?
C11 C12 C13 C14 -0.1(7) . . . . ?
C10 C3 C2 C1 -166.4(3) . . . . ?
C10 C11 C12 C13 -1.7(7) . . . . ?
C10 C15 C14 C13 -1.5(7) . . . . ?
C56 N2 C55 C54 0.9(6) . . . . ?
C56 C57 C49 C50 -1.4(6) . . . . ?
C56 C57 C49 C48 177.5(4) . . . . ?
C56 C52 C53 C54 1.6(7) . . . . ?
C56 C52 C51 C50 -0.5(7) . . . . ?
C1 C4 C5 C6 179.2(3) . . . . ?
C1 C4 C9 C8 -177.3(4) . . . . ?
C30 C25 C26 C27 1.1(6) . . . . ?
C29 C28 C27 C26 -1.0(6) . . . . ?
C29 C30 C25 C18 179.0(4) . . . . ?
C29 C30 C25 C26 -1.1(6) . . . . ?
C34 C39 C38 C37 0.7(6) . . . . ?
C34 C31 C32 C33 176.1(4) . . . . ?
C2 C3 C10 C11 159.9(4) . . . . ?
C2 C3 C10 C15 -19.2(6) . . . . ?
C2 C1 C4 C5 170.4(4) . . . . ?
C2 C1 C4 C9 -11.7(6) . . . . ?
C18 C25 C26 C27 -178.9(4) . . . . ?
C18 C17 C16 O3 -0.1(7) . . . . ?
C18 C17 C16 C19 -178.3(4) . . . . ?
C40 C33 C32 C31 -175.4(4) . . . . ?
C40 C41 C42 C43 -0.4(7) . . . . ?
C40 C45 C44 C43 0.6(7) . . . . ?
C4 C1 C2 C3 170.3(3) . . . . ?
C4 C5 C6 C7 -1.9(6) . . . . ?
C25 C30 C29 C28 0.0(6) . . . . ?
C25 C18 C17 C16 179.9(4) . . . . ?
C33 C40 C41 C42 -176.8(4) . . . . ?
C33 C40 C45 C44 176.6(4) . . . . ?
C38 C39 C34 C31 176.8(4) . . . . ?
C38 C39 C34 C35 -1.9(6) . . . . ?
C8 C7 C6 C5 0.9(6) . . . . ?
C57 N1 C46 C47 0.4(6) . . . . ?
C57 C56 C52 C53 177.5(4) . . . . ?
C57 C56 C52 C51 -2.0(6) . . . . ?
C57 C49 C50 C51 -1.2(7) . . . . ?
C57 C49 C48 C47 2.3(7) . . . . ?
C5 C4 C9 C8 0.6(6) . . . . ?
C6 C7 C8 C9 0.8(6) . . . . ?
C41 C40 C33 O6 9.0(5) . . . . ?
C41 C40 C33 C32 -173.1(4) . . . . ?
C41 C40 C45 C44 -0.1(6) . . . . ?
C9 C4 C5 C6 1.2(6) . . . . ?
C17 C18 C25 C30 22.9(6) . . . . ?
C17 C18 C25 C26 -157.1(4) . . . . ?
C27 C28 C29 C30 1.0(6) . . . . ?
C55 N2 C56 C57 -178.7(4) . . . . ?
C55 N2 C56 C52 1.2(6) . . . . ?
C12 C11 C10 C3 -177.2(4) . . . . ?
C12 C11 C10 C15 1.9(6) . . . . ?
C12 C13 C14 C15 1.6(7) . . . . ?
C31 C34 C35 C36 -177.5(4) . . . . ?
C22 C21 C20 C19 -0.1(8) . . . . ?
C46 N1 C57 C56 -178.8(4) . . . . ?
C46 N1 C57 C49 0.8(6) . . . . ?
C19 C24 C23 C22 -2.1(8) . . . . ?
C16 C19 C24 C23 -179.5(4) . . . . ?
C16 C19 C20 C21 -179.4(4) . . . . ?
C35 C34 C31 O5 19.7(5) . . . . ?
C35 C34 C31 C32 -158.9(4) . . . . ?
C35 C36 C37 I5 176.9(3) . . . . ?
C35 C36 C37 C38 -1.6(7) . . . . ?
C37 C36 C35 C34 0.4(7) . . . . ?
C24 C19 C16 O3 159.9(4) . . . . ?
C24 C19 C16 C17 -21.8(6) . . . . ?
C24 C19 C20 C21 0.0(7) . . . . ?
C45 C40 C33 O6 -167.8(4) . . . . ?
C45 C40 C33 C32 10.2(6) . . . . ?
C45 C40 C41 C42 0.1(6) . . . . ?
C45 C44 C43 I6 -179.5(3) . . . . ?
C45 C44 C43 C42 -1.0(7) . . . . ?
C44 C43 C42 C41 0.9(7) . . . . ?
C52 C56 C57 N1 -177.5(4) . . . . ?
C52 C56 C57 C49 2.9(6) . . . . ?
C52 C53 C54 C55 0.3(7) . . . . ?
C53 C52 C51 C50 -180.0(5) . . . . ?
C21 C22 C23 C24 1.9(8) . . . . ?
C23 C22 C21 C20 -0.8(8) . . . . ?
C49 C50 C51 C52 2.1(8) . . . . ?
C49 C48 C47 C46 -1.2(7) . . . . ?
C20 C19 C16 O3 -20.8(6) . . . . ?
C20 C19 C16 C17 157.6(4) . . . . ?
C20 C19 C24 C23 1.2(7) . . . . ?
C50 C49 C48 C47 -178.9(5) . . . . ?
C48 C49 C50 C51 -180.0(5) . . . . ?
C51 C52 C53 C54 -178.9(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
