#------------------------------------------------------------------------------
#$Date: 2021-11-11 04:06:34 +0200 (Thu, 11 Nov 2021) $
#$Revision: 270594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/38/7243898.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7243898
loop_
_publ_author_name
'Varaksina, Evgeniya A.'
'Kiskin, Mikhail A.'
'Lyssenko, Konstantin A.'
'Puntus, Lada N.'
'Korshunov, Vladislav M.'
'Silva, Gustavo S.'
'Freire, Ricardo O.'
'Taydakov, Ilya V.'
_publ_section_title
;
 Tuning the luminescence efficiency by perfluorination of side chains in
 Eu3+ complexes with β-diketones of the thiophene series
;
_journal_name_full               'Physical Chemistry Chemical Physics'
_journal_paper_doi               10.1039/D1CP02951G
_journal_year                    2021
_chemical_formula_moiety
'C35.67 H22.67 Eu F6 N2 O6 S2.67, 0.33(C), 0.33(S)'
_chemical_formula_sum            'C36 H23 Eu F6 N2 O6 S3'
_chemical_formula_weight         941.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-01-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-04-30 deposited with the CCDC.	2021-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.152(4)
_cell_angle_beta                 94.059(3)
_cell_angle_gamma                102.044(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4489(7)
_cell_length_b                   13.2007(11)
_cell_length_c                   14.8576(11)
_cell_measurement_reflns_used    3417
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.37
_cell_measurement_theta_min      2.43
_cell_volume                     1807.6(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_unetI/netI     0.1282
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16459
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.877
_diffrn_reflns_theta_min         1.374
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.988
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1295 before and 0.0486 after correction.
The Ratio of minimum to maximum transmission is 0.8484.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             932
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.482
_refine_diff_density_min         -1.910
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         8489
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0487P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1310
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6035
_reflns_number_total             8489
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cp02951g2.cif
_cod_data_source_block           eup_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7243898
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.961
_shelx_estimated_absorpt_t_min   0.857
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 S3-C20 = S3-C22
 1.7 with sigma of 0.02
 S3A-C20 = S3A-C23
 1.7 with sigma of 0.02
 C21-C22 = C21A-C23
 1.46 with sigma of 0.01
 C20-C21 = C20-C21A
 1.44 with sigma of 0.01
 C22-C23
 1.35 with sigma of 0.01
 C20-C22 = C20-C23
 2.4 with sigma of 0.02
 C21-S3 = C21A-S3A
 2.6 with sigma of 0.02
 C21-C23 = C21A-C22
 2.35 with sigma of 0.02
 S3-C22 = S3A-C23
 2.5 with sigma of 0.02
3. Restrained planarity
 C20, C21, C22, C23, S3
 with sigma of 0.01
 C20, C21A, C22, C23, S3A
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C21) = Uanis(C21A)
Uanis(S3) = Uanis(S3A)
5. Others
 Sof(C21A)=Sof(S3A)=1-FVAR(1)
 Sof(C21)=Sof(H21)=Sof(S3)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C8(H8), C16(H16), C24(H24)
6.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C7(H7), C10(H10), C13(H13), C14(H14), C15(H15),
 C18(H18), C21(H21), C22(H22), C23(H23), C25(H25), C26(H26), C27(H27), C30(H30),
  C31(H31), C32(H32), C35(H35), C36(H36)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.39795(3) 0.24999(3) 0.25988(2) 0.01967(10) Uani 1 1 d . . . . .
N1 N 0.4162(5) 0.0832(4) 0.3475(3) 0.0237(12) Uani 1 1 d . . . . .
N2 N 0.6493(5) 0.2013(4) 0.2746(3) 0.0251(13) Uani 1 1 d . . . . .
O1 O 0.5162(4) 0.3259(3) 0.3979(3) 0.0267(11) Uani 1 1 d . . . . .
O2 O 0.2217(4) 0.2509(3) 0.3623(3) 0.0263(11) Uani 1 1 d . . . . .
O3 O 0.5349(4) 0.4125(3) 0.2237(3) 0.0251(10) Uani 1 1 d . . . . .
O4 O 0.2435(4) 0.3364(4) 0.1708(3) 0.0292(11) Uani 1 1 d . . . . .
O5 O 0.4707(4) 0.2161(4) 0.1161(3) 0.0282(11) Uani 1 1 d . . . . .
O6 O 0.2272(4) 0.1093(3) 0.1938(3) 0.0256(10) Uani 1 1 d . . . . .
C1 C 0.4824(7) 0.3500(5) 0.4739(4) 0.0232(14) Uani 1 1 d . . . . .
C2 C 0.3380(6) 0.3330(5) 0.4991(4) 0.0242(15) Uani 1 1 d . . . . .
H2 H 0.3201 0.3557 0.5571 0.029 Uiso 1 1 calc R . . . .
C3 C 0.2232(6) 0.2850(5) 0.4426(4) 0.0243(14) Uani 1 1 d . . . . .
C4 C 0.6036(6) 0.3961(5) 0.5395(4) 0.0252(15) Uani 1 1 d . . . . .
C5 C 0.6030(6) 0.4292(5) 0.6315(4) 0.0253(15) Uani 1 1 d . . . . .
H5 H 0.5196 0.4267 0.6642 0.030 Uiso 1 1 calc R . . . .
C6 C 0.7498(9) 0.4665(6) 0.6651(5) 0.046(2) Uani 1 1 d . . . . .
H6 H 0.7757 0.4952 0.7242 0.056 Uiso 1 1 calc R . . . .
C7 C 0.8472(8) 0.4580(6) 0.6073(5) 0.041(2) Uani 1 1 d . . . . .
H7 H 0.9488 0.4786 0.6217 0.050 Uiso 1 1 calc R . . . .
C8 C 0.0697(7) 0.2619(6) 0.4770(5) 0.0337(17) Uani 1 1 d . . . . .
H8 H 0.0015 0.2879 0.4327 0.040 Uiso 1 1 calc R . . . .
C9 C 0.5239(7) 0.4808(5) 0.1668(4) 0.0272(15) Uani 1 1 d . . . . .
C10 C 0.3983(7) 0.4777(6) 0.1082(5) 0.0355(18) Uani 1 1 d . . . . .
H10 H 0.4036 0.5263 0.0608 0.043 Uiso 1 1 calc R . . . .
C11 C 0.2685(7) 0.4083(6) 0.1156(5) 0.0317(17) Uani 1 1 d . . . . .
C12 C 0.6445(7) 0.5693(6) 0.1673(5) 0.0314(16) Uani 1 1 d . . . . .
C13 C 0.6655(9) 0.6554(6) 0.1163(6) 0.054(2) Uani 1 1 d . . . . .
H13 H 0.5997 0.6665 0.0678 0.065 Uiso 1 1 calc R . . . .
C14 C 0.7955(9) 0.7271(7) 0.1426(7) 0.060(3) Uani 1 1 d . . . . .
H14 H 0.8259 0.7917 0.1143 0.073 Uiso 1 1 calc R . . . .
C15 C 0.8710(8) 0.6934(6) 0.2122(6) 0.050(2) Uani 1 1 d . . . . .
H15 H 0.9609 0.7314 0.2387 0.060 Uiso 1 1 calc R . . . .
C16 C 0.1386(8) 0.4301(7) 0.0551(6) 0.051(2) Uani 1 1 d . . . . .
H16 H 0.1704 0.4691 -0.0001 0.061 Uiso 1 1 calc R . . . .
C17 C 0.4290(7) 0.1514(5) 0.0517(4) 0.0268(15) Uani 1 1 d . . . . .
C18 C 0.3045(7) 0.0723(6) 0.0512(5) 0.039(2) Uani 1 1 d . . . . .
H18 H 0.2807 0.0266 0.0003 0.047 Uiso 1 1 calc R . . . .
C19 C 0.2161(7) 0.0582(5) 0.1209(5) 0.0304(17) Uani 1 1 d . . . . .
C20 C 0.5208(6) 0.1650(5) -0.0240(4) 0.0346(18) Uani 1 1 d D . . A 1
C21 C 0.4881(10) 0.1154(6) -0.1117(7) 0.114(11) Uani 0.671(5) 1 d D . P A 1
H21 H 0.4056 0.0645 -0.1328 0.137 Uiso 0.671(5) 1 calc R . P A 1
S3 S 0.6810(3) 0.2531(3) -0.0120(2) 0.0440(11) Uani 0.671(5) 1 d D . P A 1
C22 C 0.6167(8) 0.1642(6) -0.1613(5) 0.069(3) Uani 1 1 d D . . A 1
H22 H 0.6277 0.1473 -0.2222 0.083 Uiso 1 1 calc R . . A 1
C23 C 0.7114(7) 0.2314(5) -0.1137(5) 0.064(3) Uani 1 1 d D . . A 1
H23 H 0.7973 0.2671 -0.1386 0.077 Uiso 1 1 calc R . . A 1
C21A C 0.6597(11) 0.2386(7) -0.0213(7) 0.114(11) Uani 0.329(5) 1 d D . P A 2
S3A S 0.4832(6) 0.1075(5) -0.1259(6) 0.0440(11) Uani 0.329(5) 1 d D . P A 2
C24 C 0.0846(8) -0.0325(6) 0.1133(6) 0.046(2) Uani 1 1 d . . . . .
H24 H 0.0925 -0.0806 0.0627 0.055 Uiso 1 1 calc R . . . .
C25 C 0.3036(7) 0.0249(6) 0.3838(4) 0.0312(17) Uani 1 1 d . . . . .
H25 H 0.2171 0.0506 0.3856 0.037 Uiso 1 1 calc R . . . .
C26 C 0.3061(7) -0.0723(6) 0.4195(5) 0.0347(18) Uani 1 1 d . . . . .
H26 H 0.2227 -0.1116 0.4447 0.042 Uiso 1 1 calc R . . . .
C27 C 0.4282(8) -0.1100(6) 0.4179(5) 0.0369(18) Uani 1 1 d . . . . .
H27 H 0.4311 -0.1761 0.4423 0.044 Uiso 1 1 calc R . . . .
C28 C 0.5500(8) -0.0523(6) 0.3803(5) 0.0328(17) Uani 1 1 d . . . . .
C29 C 0.5397(7) 0.0446(5) 0.3459(4) 0.0236(14) Uani 1 1 d . . . . .
C30 C 0.7617(7) 0.2612(6) 0.2405(5) 0.0322(17) Uani 1 1 d . . . . .
H30 H 0.7519 0.3268 0.2179 0.039 Uiso 1 1 calc R . . . .
C31 C 0.8961(7) 0.2314(6) 0.2362(5) 0.0342(18) Uani 1 1 d . . . . .
H31 H 0.9758 0.2765 0.2121 0.041 Uiso 1 1 calc R . . . .
C32 C 0.9094(7) 0.1358(6) 0.2675(5) 0.0327(17) Uani 1 1 d . . . . .
H32 H 0.9980 0.1133 0.2639 0.039 Uiso 1 1 calc R . . . .
C33 C 0.7920(7) 0.0722(6) 0.3046(5) 0.0303(16) Uani 1 1 d . . . . .
C34 C 0.6627(6) 0.1089(5) 0.3076(4) 0.0209(14) Uani 1 1 d . . . . .
C35 C 0.6826(8) -0.0886(6) 0.3746(5) 0.042(2) Uani 1 1 d . . . . .
H35 H 0.6891 -0.1552 0.3962 0.051 Uiso 1 1 calc R . . . .
C36 C 0.7978(8) -0.0282(6) 0.3386(6) 0.045(2) Uani 1 1 d . . . . .
H36 H 0.8848 -0.0531 0.3358 0.054 Uiso 1 1 calc R . . . .
S1 S 0.7755(2) 0.40736(17) 0.50643(14) 0.0434(5) Uani 1 1 d . . . . .
S2 S 0.7867(2) 0.57469(16) 0.24751(14) 0.0431(5) Uani 1 1 d . . . . .
F1 F 0.0654(4) 0.3055(4) 0.5594(3) 0.0578(15) Uani 1 1 d . . . . .
F2 F 0.0254(4) 0.1590(4) 0.4850(3) 0.0551(13) Uani 1 1 d . . . . .
F3 F 0.0453(5) 0.3361(5) 0.0338(4) 0.0833(19) Uani 1 1 d . . . . .
F4 F 0.0616(6) 0.4806(5) 0.1049(4) 0.087(2) Uani 1 1 d . . . . .
F5 F 0.0744(5) -0.0839(4) 0.1932(3) 0.0641(15) Uani 1 1 d . . . . .
F6 F -0.0371(5) 0.0050(4) 0.1002(4) 0.0735(18) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Eu1 N1 63.31(17) . . ?
O1 Eu1 N1 80.54(16) . . ?
O1 Eu1 N2 73.40(15) . . ?
O2 Eu1 N1 80.06(16) . . ?
O2 Eu1 N2 132.67(16) . . ?
O2 Eu1 O1 71.82(14) . . ?
O2 Eu1 O3 116.14(15) . . ?
O2 Eu1 O4 81.40(16) . . ?
O2 Eu1 O5 152.35(14) . . ?
O2 Eu1 O6 83.77(14) . . ?
O3 Eu1 N1 142.18(15) . . ?
O3 Eu1 N2 82.83(16) . . ?
O3 Eu1 O1 73.68(15) . . ?
O3 Eu1 O4 72.32(15) . . ?
O3 Eu1 O5 78.29(15) . . ?
O3 Eu1 O6 140.98(15) . . ?
O4 Eu1 N1 145.49(15) . . ?
O4 Eu1 N2 144.96(17) . . ?
O4 Eu1 O1 120.38(16) . . ?
O5 Eu1 N1 103.18(16) . . ?
O5 Eu1 N2 69.73(15) . . ?
O5 Eu1 O1 135.80(14) . . ?
O5 Eu1 O4 81.12(16) . . ?
O6 Eu1 N1 70.65(15) . . ?
O6 Eu1 N2 108.84(15) . . ?
O6 Eu1 O1 145.02(15) . . ?
O6 Eu1 O4 78.63(15) . . ?
O6 Eu1 O5 71.88(14) . . ?
C25 N1 Eu1 122.6(5) . . ?
C25 N1 C29 117.4(6) . . ?
C29 N1 Eu1 119.4(4) . . ?
C30 N2 Eu1 120.4(5) . . ?
C30 N2 C34 119.2(6) . . ?
C34 N2 Eu1 119.9(4) . . ?
C1 O1 Eu1 138.2(4) . . ?
C3 O2 Eu1 134.8(4) . . ?
C9 O3 Eu1 136.6(4) . . ?
C11 O4 Eu1 132.4(4) . . ?
C17 O5 Eu1 138.1(4) . . ?
C19 O6 Eu1 134.5(4) . . ?
O1 C1 C2 123.6(6) . . ?
O1 C1 C4 116.3(5) . . ?
C2 C1 C4 120.1(6) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.1(6) . . ?
C3 C2 H2 119.0 . . ?
O2 C3 C2 129.4(6) . . ?
O2 C3 C8 111.3(5) . . ?
C2 C3 C8 119.2(6) . . ?
C1 C4 S1 117.4(5) . . ?
C5 C4 C1 130.5(6) . . ?
C5 C4 S1 112.1(4) . . ?
C4 C5 H5 126.0 . . ?
C6 C5 C4 107.9(6) . . ?
C6 C5 H5 126.0 . . ?
C5 C6 H6 122.7 . . ?
C7 C6 C5 114.5(6) . . ?
C7 C6 H6 122.7 . . ?
C6 C7 H7 123.0 . . ?
C6 C7 S1 114.1(6) . . ?
S1 C7 H7 123.0 . . ?
C3 C8 H8 109.3 . . ?
F1 C8 C3 112.7(5) . . ?
F1 C8 H8 109.3 . . ?
F2 C8 C3 108.9(6) . . ?
F2 C8 H8 109.3 . . ?
F2 C8 F1 107.2(6) . . ?
O3 C9 C10 123.2(6) . . ?
O3 C9 C12 116.5(6) . . ?
C10 C9 C12 120.2(7) . . ?
C9 C10 H10 118.0 . . ?
C11 C10 C9 123.9(7) . . ?
C11 C10 H10 118.0 . . ?
O4 C11 C10 126.9(6) . . ?
O4 C11 C16 117.6(6) . . ?
C10 C11 C16 115.2(7) . . ?
C9 C12 S2 118.1(5) . . ?
C13 C12 C9 131.1(7) . . ?
C13 C12 S2 110.8(5) . . ?
C12 C13 H13 123.4 . . ?
C12 C13 C14 113.1(8) . . ?
C14 C13 H13 123.4 . . ?
C13 C14 H14 123.9 . . ?
C15 C14 C13 112.3(8) . . ?
C15 C14 H14 123.9 . . ?
C14 C15 H15 123.9 . . ?
C14 C15 S2 112.2(6) . . ?
S2 C15 H15 123.9 . . ?
C11 C16 H16 112.0 . . ?
F3 C16 C11 107.9(7) . . ?
F3 C16 H16 112.0 . . ?
F4 C16 C11 108.3(7) . . ?
F4 C16 H16 112.0 . . ?
F4 C16 F3 104.1(7) . . ?
O5 C17 C18 123.7(6) . . ?
O5 C17 C20 114.9(6) . . ?
C18 C17 C20 121.4(6) . . ?
C17 C18 H18 118.7 . . ?
C19 C18 C17 122.6(6) . . ?
C19 C18 H18 118.7 . . ?
O6 C19 C18 129.1(6) . . ?
O6 C19 C24 113.1(6) . . ?
C18 C19 C24 117.8(6) . . ?
C17 C20 S3 118.0(5) . . ?
C21 C20 C17 127.0(7) . . ?
C21 C20 S3 114.9(6) . . ?
C20 C21 H21 128.7 . . ?
C20 C21 C22 102.5(7) . . ?
C22 C21 H21 128.7 . . ?
C23 S3 C20 90.3(3) . . ?
C21 C22 H22 123.1 . . ?
C23 C22 C21 113.8(6) . . ?
C23 C22 H22 123.1 . . ?
S3 C23 H23 120.8 . . ?
C22 C23 S3 118.5(6) . . ?
C22 C23 H23 120.8 . . ?
C19 C24 H24 110.6 . . ?
F5 C24 C19 109.7(6) . . ?
F5 C24 H24 110.6 . . ?
F6 C24 C19 109.0(7) . . ?
F6 C24 H24 110.6 . . ?
F6 C24 F5 106.2(6) . . ?
N1 C25 H25 118.4 . . ?
N1 C25 C26 123.1(7) . . ?
C26 C25 H25 118.4 . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.3(7) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.1(7) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 117.4(7) . . ?
C27 C28 C35 123.1(7) . . ?
C29 C28 C35 119.5(7) . . ?
N1 C29 C28 122.7(6) . . ?
N1 C29 C34 117.2(6) . . ?
C28 C29 C34 120.1(6) . . ?
N2 C30 H30 118.8 . . ?
N2 C30 C31 122.4(7) . . ?
C31 C30 H30 118.8 . . ?
C30 C31 H31 120.7 . . ?
C32 C31 C30 118.7(6) . . ?
C32 C31 H31 120.7 . . ?
C31 C32 H32 120.2 . . ?
C31 C32 C33 119.5(6) . . ?
C33 C32 H32 120.2 . . ?
C32 C33 C34 118.0(7) . . ?
C32 C33 C36 122.6(7) . . ?
C34 C33 C36 119.4(6) . . ?
N2 C34 C29 118.8(6) . . ?
N2 C34 C33 122.1(6) . . ?
C33 C34 C29 119.1(6) . . ?
C28 C35 H35 119.9 . . ?
C36 C35 C28 120.3(7) . . ?
C36 C35 H35 119.9 . . ?
C33 C36 H36 119.2 . . ?
C35 C36 C33 121.6(7) . . ?
C35 C36 H36 119.2 . . ?
C7 S1 C4 91.3(3) . . ?
C15 S2 C12 91.6(4) . . ?
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 N1 2.591(6) . ?
Eu1 N2 2.582(5) . ?
Eu1 O1 2.378(4) . ?
Eu1 O2 2.335(4) . ?
Eu1 O3 2.348(4) . ?
Eu1 O4 2.369(5) . ?
Eu1 O5 2.359(4) . ?
Eu1 O6 2.351(4) . ?
N1 C25 1.325(8) . ?
N1 C29 1.369(8) . ?
N2 C30 1.318(8) . ?
N2 C34 1.343(8) . ?
O1 C1 1.254(7) . ?
O2 C3 1.272(7) . ?
O3 C9 1.252(8) . ?
O4 C11 1.251(8) . ?
O5 C17 1.266(7) . ?
O6 C19 1.262(7) . ?
C1 C2 1.413(8) . ?
C1 C4 1.476(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.366(8) . ?
C3 C8 1.543(8) . ?
C4 C5 1.434(8) . ?
C4 S1 1.708(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.425(9) . ?
C6 H6 0.9500 . ?
C6 C7 1.323(10) . ?
C7 H7 0.9500 . ?
C7 S1 1.677(7) . ?
C8 H8 1.0000 . ?
C8 F1 1.358(7) . ?
C8 F2 1.343(8) . ?
C9 C10 1.416(9) . ?
C9 C12 1.452(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(9) . ?
C11 C16 1.547(10) . ?
C12 C13 1.356(10) . ?
C12 S2 1.721(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.415(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.344(11) . ?
C15 H15 0.9500 . ?
C15 S2 1.706(8) . ?
C16 H16 1.0000 . ?
C16 F3 1.385(9) . ?
C16 F4 1.341(10) . ?
C17 C18 1.400(9) . ?
C17 C20 1.457(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.365(9) . ?
C19 C24 1.532(9) . ?
C20 C21 1.441(9) . ?
C20 S3 1.704(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.496(9) . ?
S3 C23 1.594(8) . ?
C22 H22 0.9500 . ?
C22 C23 1.289(7) . ?
C23 H23 0.9500 . ?
C24 H24 1.0000 . ?
C24 F5 1.369(9) . ?
C24 F6 1.347(9) . ?
C25 H25 0.9500 . ?
C25 C26 1.394(10) . ?
C26 H26 0.9500 . ?
C26 C27 1.351(10) . ?
C27 H27 0.9500 . ?
C27 C28 1.395(10) . ?
C28 C29 1.398(9) . ?
C28 C35 1.439(10) . ?
C29 C34 1.442(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.412(9) . ?
C31 H31 0.9500 . ?
C31 C32 1.372(10) . ?
C32 H32 0.9500 . ?
C32 C33 1.393(9) . ?
C33 C34 1.409(9) . ?
C33 C36 1.430(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.353(11) . ?
C36 H36 0.9500 . ?
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 N1 C25 C26 170.4(5) . . . . ?
Eu1 N1 C29 C28 -170.6(5) . . . . ?
Eu1 N1 C29 C34 10.1(7) . . . . ?
Eu1 N2 C30 C31 -171.4(5) . . . . ?
Eu1 N2 C34 C29 -8.6(7) . . . . ?
Eu1 N2 C34 C33 170.4(4) . . . . ?
Eu1 O1 C1 C2 0.7(11) . . . . ?
Eu1 O1 C1 C4 179.1(4) . . . . ?
Eu1 O2 C3 C2 -2.0(12) . . . . ?
Eu1 O2 C3 C8 -179.5(4) . . . . ?
Eu1 O3 C9 C10 7.5(11) . . . . ?
Eu1 O3 C9 C12 -176.6(4) . . . . ?
Eu1 O4 C11 C10 -19.0(11) . . . . ?
Eu1 O4 C11 C16 167.6(5) . . . . ?
Eu1 O5 C17 C18 2.0(11) . . . . ?
Eu1 O5 C17 C20 -178.2(4) . . . . ?
Eu1 O6 C19 C18 -2.6(12) . . . . ?
Eu1 O6 C19 C24 176.4(5) . . . . ?
N1 C25 C26 C27 0.2(10) . . . . ?
N1 C29 C34 N2 -1.0(8) . . . . ?
N1 C29 C34 C33 180.0(5) . . . . ?
N2 C30 C31 C32 1.0(10) . . . . ?
O1 C1 C2 C3 2.4(11) . . . . ?
O1 C1 C4 C5 -178.2(7) . . . . ?
O1 C1 C4 S1 -2.2(9) . . . . ?
O2 C3 C8 F1 -174.4(6) . . . . ?
O2 C3 C8 F2 66.8(8) . . . . ?
O3 C9 C10 C11 9.5(12) . . . . ?
O3 C9 C12 C13 -179.2(8) . . . . ?
O3 C9 C12 S2 -2.3(9) . . . . ?
O4 C11 C16 F3 -35.8(10) . . . . ?
O4 C11 C16 F4 76.3(9) . . . . ?
O5 C17 C18 C19 0.2(12) . . . . ?
O5 C17 C20 C21 -168.6(5) . . . . ?
O5 C17 C20 S3 7.8(8) . . . . ?
O6 C19 C24 F5 -44.1(9) . . . . ?
O6 C19 C24 F6 71.8(8) . . . . ?
C1 C2 C3 O2 -1.8(12) . . . . ?
C1 C2 C3 C8 175.6(6) . . . . ?
C1 C4 C5 C6 179.0(7) . . . . ?
C1 C4 S1 C7 -178.6(6) . . . . ?
C2 C1 C4 C5 0.3(11) . . . . ?
C2 C1 C4 S1 176.3(5) . . . . ?
C2 C3 C8 F1 7.8(10) . . . . ?
C2 C3 C8 F2 -111.0(7) . . . . ?
C4 C1 C2 C3 -176.0(6) . . . . ?
C4 C5 C6 C7 -2.6(10) . . . . ?
C5 C4 S1 C7 -1.9(6) . . . . ?
C5 C6 C7 S1 1.3(10) . . . . ?
C6 C7 S1 C4 0.4(7) . . . . ?
C9 C10 C11 O4 -3.4(13) . . . . ?
C9 C10 C11 C16 170.2(7) . . . . ?
C9 C12 C13 C14 176.0(8) . . . . ?
C9 C12 S2 C15 -176.7(6) . . . . ?
C10 C9 C12 C13 -3.1(13) . . . . ?
C10 C9 C12 S2 173.8(6) . . . . ?
C10 C11 C16 F3 150.0(7) . . . . ?
C10 C11 C16 F4 -97.8(8) . . . . ?
C12 C9 C10 C11 -166.3(7) . . . . ?
C12 C13 C14 C15 0.7(13) . . . . ?
C13 C12 S2 C15 0.8(7) . . . . ?
C13 C14 C15 S2 -0.1(11) . . . . ?
C14 C15 S2 C12 -0.4(8) . . . . ?
C17 C18 C19 O6 0.2(14) . . . . ?
C17 C18 C19 C24 -178.8(7) . . . . ?
C17 C20 C21 C22 176.5(7) . . . . ?
C17 C20 S3 C23 -176.8(6) . . . . ?
C18 C17 C20 C21 11.2(9) . . . . ?
C18 C17 C20 S3 -172.3(6) . . . . ?
C18 C19 C24 F5 135.0(8) . . . . ?
C18 C19 C24 F6 -109.0(8) . . . . ?
C20 C17 C18 C19 -179.6(7) . . . . ?
C20 C21 C22 C23 0.0(2) . . . . ?
C20 S3 C23 C22 -0.1(4) . . . . ?
C21 C20 S3 C23 0.0(3) . . . . ?
C21 C22 C23 S3 0.1(4) . . . . ?
S3 C20 C21 C22 -0.01(17) . . . . ?
C25 N1 C29 C28 0.2(9) . . . . ?
C25 N1 C29 C34 -179.1(5) . . . . ?
C25 C26 C27 C28 -0.3(11) . . . . ?
C26 C27 C28 C29 0.4(10) . . . . ?
C26 C27 C28 C35 -178.7(7) . . . . ?
C27 C28 C29 N1 -0.4(10) . . . . ?
C27 C28 C29 C34 178.9(6) . . . . ?
C27 C28 C35 C36 -179.0(7) . . . . ?
C28 C29 C34 N2 179.7(6) . . . . ?
C28 C29 C34 C33 0.6(9) . . . . ?
C28 C35 C36 C33 -0.5(12) . . . . ?
C29 N1 C25 C26 -0.1(9) . . . . ?
C29 C28 C35 C36 1.9(11) . . . . ?
C30 N2 C34 C29 179.1(6) . . . . ?
C30 N2 C34 C33 -1.8(9) . . . . ?
C30 C31 C32 C33 -1.6(10) . . . . ?
C31 C32 C33 C34 0.6(10) . . . . ?
C31 C32 C33 C36 180.0(6) . . . . ?
C32 C33 C34 N2 1.2(9) . . . . ?
C32 C33 C34 C29 -179.8(6) . . . . ?
C32 C33 C36 C35 179.8(7) . . . . ?
C34 N2 C30 C31 0.7(10) . . . . ?
C34 C33 C36 C35 -0.8(11) . . . . ?
C35 C28 C29 N1 178.7(6) . . . . ?
C35 C28 C29 C34 -2.0(9) . . . . ?
C36 C33 C34 N2 -178.2(6) . . . . ?
C36 C33 C34 C29 0.8(9) . . . . ?
S1 C4 C5 C6 2.8(8) . . . . ?
S2 C12 C13 C14 -1.0(10) . . . . ?
