#------------------------------------------------------------------------------
#$Date: 2021-11-11 04:06:34 +0200 (Thu, 11 Nov 2021) $
#$Revision: 270594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/38/7243897.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_7243897
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         'C36 H29 Eu N2 O6 S3'
_chemical_formula_sum            'C36 H29 Eu N2 O6 S3'
_chemical_formula_weight         833.75
_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                96.107(2)
_cell_angle_beta                 92.850(2)
_cell_angle_gamma                104.079(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1817(5)
_cell_length_b                   13.0615(7)
_cell_length_c                   15.0182(8)
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.45
_cell_volume                     1731.72(16)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1447
_diffrn_reflns_av_unetI/netI     0.0904
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23879
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.366
_diffrn_reflns_theta_min         2.455
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.040
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1124 before and 0.0390 after correction.
The Ratio of minimum to maximum transmission is 0.8073.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             836
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.057
_refine_diff_density_min         -2.021
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7066
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0562P)²+2.1583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1233
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6560
_reflns_number_total             7066
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cp02951g2.cif
_cod_data_source_block           eup
_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               7243897
_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   0.887
_shelx_estimated_absorpt_t_min   0.750
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid body (RIGU) restrains
 C20, C21, C21, C22, C22, C23
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.008
3.a 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)
3.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C24(H24A,H24B,H24C)
;
_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 0.59281(2) 0.77717(2) 0.24974(2) 0.02557(10) Uani 1 1 d . . . . .
N1 N 0.3424(4) 0.8355(3) 0.2396(2) 0.0293(8) Uani 1 1 d . . . . .
N2 N 0.5850(4) 0.9403(3) 0.1611(2) 0.0300(8) Uani 1 1 d . . . . .
O1 O 0.5023(3) 0.7932(3) 0.39279(19) 0.0334(7) Uani 1 1 d . . . . .
O2 O 0.7483(3) 0.9309(3) 0.3346(2) 0.0326(7) Uani 1 1 d . . . . .
O3 O 0.4509(3) 0.6068(3) 0.2691(2) 0.0328(7) Uani 1 1 d . . . . .
O4 O 0.7518(3) 0.6974(3) 0.3326(2) 0.0343(7) Uani 1 1 d . . . . .
O5 O 0.4750(3) 0.6974(3) 0.10694(19) 0.0330(7) Uani 1 1 d . . . . .
O6 O 0.7820(3) 0.7764(3) 0.1506(2) 0.0330(7) Uani 1 1 d . . . . .
C1 C 0.5468(5) 0.8458(4) 0.4678(3) 0.0268(9) Uani 1 1 d . . . . .
C2 C 0.6713(5) 0.9331(4) 0.4826(3) 0.0390(12) Uani 1 1 d . . . . .
H2 H 0.6952 0.9682 0.5422 0.047 Uiso 1 1 calc R . . . .
C3 C 0.7627(5) 0.9725(4) 0.4170(3) 0.0337(10) Uani 1 1 d . . . . .
C4 C 0.4548(5) 0.8084(4) 0.5419(3) 0.0326(10) Uani 1 1 d . . . . .
C5 C 0.4760(5) 0.8536(4) 0.6408(3) 0.0352(11) Uani 1 1 d . . . . .
H5 H 0.5488 0.9141 0.6699 0.042 Uiso 1 1 calc R . . . .
C6 C 0.3530(7) 0.7784(6) 0.6804(4) 0.0587(17) Uani 1 1 d . . . . .
H6 H 0.3378 0.7870 0.7426 0.070 Uiso 1 1 calc R . . . .
C7 C 0.2651(6) 0.6981(5) 0.6234(4) 0.0507(14) Uani 1 1 d . . . . .
H7 H 0.1844 0.6463 0.6421 0.061 Uiso 1 1 calc R . . . .
C8 C 0.8883(6) 1.0713(4) 0.4402(4) 0.0461(13) Uani 1 1 d . . . . .
H8A H 0.9851 1.0541 0.4313 0.069 Uiso 1 1 calc GR . . . .
H8B H 0.8864 1.0997 0.5031 0.069 Uiso 1 1 calc GR . . . .
H8C H 0.8754 1.1246 0.4012 0.069 Uiso 1 1 calc GR . . . .
C9 C 0.4640(5) 0.5416(4) 0.3230(3) 0.0304(10) Uani 1 1 d . . . . .
C10 C 0.5903(5) 0.5481(4) 0.3830(3) 0.0352(10) Uani 1 1 d . . . . .
H10 H 0.5822 0.4988 0.4257 0.042 Uiso 1 1 calc R . . . .
C11 C 0.7274(5) 0.6245(4) 0.3822(3) 0.0344(10) Uani 1 1 d . . . . .
C12 C 0.3367(5) 0.4452(4) 0.3180(3) 0.0362(11) Uani 1 1 d . . . . .
C13 C 0.3196(6) 0.3533(5) 0.3556(4) 0.0506(14) Uani 1 1 d . . . . .
H13 H 0.3950 0.3401 0.3953 0.061 Uiso 1 1 calc R . . . .
C14 C 0.1802(7) 0.2792(5) 0.3307(5) 0.0642(19) Uani 1 1 d . . . . .
H14 H 0.1507 0.2118 0.3519 0.077 Uiso 1 1 calc R . . . .
C15 C 0.0926(6) 0.3168(5) 0.2719(5) 0.0587(18) Uani 1 1 d . . . . .
H15 H -0.0054 0.2784 0.2476 0.070 Uiso 1 1 calc R . . . .
C16 C 0.8627(6) 0.6148(5) 0.4405(4) 0.0502(14) Uani 1 1 d . . . . .
H16A H 0.9343 0.5906 0.4023 0.075 Uiso 1 1 calc GR . . . .
H16B H 0.8291 0.5633 0.4828 0.075 Uiso 1 1 calc GR . . . .
H16C H 0.9119 0.6843 0.4740 0.075 Uiso 1 1 calc GR . . . .
C17 C 0.5174(5) 0.6611(4) 0.0347(3) 0.0282(9) Uani 1 1 d . . . . .
C18 C 0.6684(5) 0.6752(4) 0.0141(3) 0.0324(10) Uani 1 1 d . . . . .
H18 H 0.6879 0.6429 -0.0423 0.039 Uiso 1 1 calc R . . . .
C19 C 0.7902(5) 0.7334(4) 0.0715(3) 0.0305(9) Uani 1 1 d . . . . .
C20 C 0.3958(5) 0.6040(4) -0.0341(3) 0.0312(10) Uani 1 1 d . U . . .
C21 C 0.4043(4) 0.5605(3) -0.1288(3) 0.0264(9) Uani 1 1 d . U . . .
H21 H 0.4927 0.5624 -0.1595 0.032 Uiso 1 1 calc R . . . .
C22 C 0.2490(7) 0.5143(5) -0.1647(4) 0.0540(15) Uani 1 1 d . U . . .
H22 H 0.2237 0.4799 -0.2244 0.065 Uiso 1 1 calc R . . . .
C23 C 0.1433(6) 0.5240(5) -0.1067(4) 0.0517(14) Uani 1 1 d . U . . .
H23 H 0.0381 0.4979 -0.1221 0.062 Uiso 1 1 calc R . . . .
C24 C 0.9463(6) 0.7525(5) 0.0386(4) 0.0481(14) Uani 1 1 d . . . . .
H24A H 0.9782 0.8256 0.0241 0.072 Uiso 1 1 calc GR . . . .
H24B H 0.9451 0.7028 -0.0153 0.072 Uiso 1 1 calc GR . . . .
H24C H 1.0168 0.7415 0.0856 0.072 Uiso 1 1 calc GR . . . .
C25 C 0.2240(5) 0.7850(4) 0.2804(3) 0.0388(12) Uani 1 1 d . . . . .
H25 H 0.2293 0.7222 0.3056 0.047 Uiso 1 1 calc R . . . .
C26 C 0.0932(5) 0.8210(5) 0.2873(4) 0.0466(14) Uani 1 1 d . . . . .
H26 H 0.0114 0.7829 0.3167 0.056 Uiso 1 1 calc R . . . .
C27 C 0.0833(5) 0.9111(5) 0.2519(4) 0.0473(14) Uani 1 1 d . . . . .
H27 H -0.0045 0.9368 0.2573 0.057 Uiso 1 1 calc R . . . .
C28 C 0.2043(5) 0.9660(4) 0.2071(3) 0.0381(11) Uani 1 1 d . . . . .
C29 C 0.3318(5) 0.9237(4) 0.2036(3) 0.0293(9) Uani 1 1 d . . . . .
C30 C 0.7025(6) 0.9918(4) 0.1207(3) 0.0377(11) Uani 1 1 d . . . . .
H30 H 0.7902 0.9654 0.1206 0.045 Uiso 1 1 calc R . . . .
C31 C 0.7039(6) 1.0813(4) 0.0791(4) 0.0462(13) Uani 1 1 d . . . . .
H31 H 0.7910 1.1150 0.0517 0.055 Uiso 1 1 calc R . . . .
C32 C 0.5789(7) 1.1212(4) 0.0773(3) 0.0468(13) Uani 1 1 d . . . . .
H32 H 0.5778 1.1823 0.0485 0.056 Uiso 1 1 calc R . . . .
C33 C 0.4517(6) 1.0694(4) 0.1192(3) 0.0410(12) Uani 1 1 d . . . . .
C34 C 0.4607(5) 0.9799(4) 0.1592(3) 0.0305(10) Uani 1 1 d . . . . .
C35 C 0.2011(6) 1.0587(5) 0.1663(4) 0.0514(14) Uani 1 1 d . . . . .
H35 H 0.1147 1.0864 0.1694 0.062 Uiso 1 1 calc R . . . .
C36 C 0.3206(7) 1.1091(5) 0.1225(4) 0.0528(14) Uani 1 1 d . . . . .
H36 H 0.3159 1.1702 0.0945 0.063 Uiso 1 1 calc R . . . .
S1 S 0.31099(16) 0.69755(12) 0.51572(9) 0.0483(3) Uani 1 1 d . . . . .
S2 S 0.18074(15) 0.44157(13) 0.24748(11) 0.0535(4) Uani 1 1 d . . . . .
S3 S 0.21645(15) 0.58649(13) -0.00582(10) 0.0499(4) 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'
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
N1 Eu1 N2 62.31(12) . . ?
O1 Eu1 N1 70.02(12) . . ?
O1 Eu1 N2 113.00(12) . . ?
O1 Eu1 O2 71.95(10) . . ?
O1 Eu1 O4 78.98(12) . . ?
O1 Eu1 O5 132.69(10) . . ?
O2 Eu1 N1 99.41(11) . . ?
O2 Eu1 N2 72.58(12) . . ?
O2 Eu1 O4 80.52(12) . . ?
O2 Eu1 O5 146.51(12) . . ?
O3 Eu1 N1 87.97(13) . . ?
O3 Eu1 N2 141.72(11) . . ?
O3 Eu1 O1 74.06(11) . . ?
O3 Eu1 O2 140.09(11) . . ?
O3 Eu1 O4 72.97(11) . . ?
O3 Eu1 O5 73.35(11) . . ?
O4 Eu1 N1 147.15(11) . . ?
O4 Eu1 N2 144.38(11) . . ?
O4 Eu1 O5 121.70(12) . . ?
O5 Eu1 N1 75.46(11) . . ?
O5 Eu1 N2 75.99(12) . . ?
O6 Eu1 N1 132.88(12) . . ?
O6 Eu1 N2 77.12(12) . . ?
O6 Eu1 O1 153.92(11) . . ?
O6 Eu1 O2 89.67(10) . . ?
O6 Eu1 O3 113.71(12) . . ?
O6 Eu1 O4 79.87(12) . . ?
O6 Eu1 O5 72.17(10) . . ?
C25 N1 Eu1 119.9(4) . . ?
C25 N1 C29 117.6(4) . . ?
C29 N1 Eu1 121.9(3) . . ?
C30 N2 Eu1 122.9(3) . . ?
C30 N2 C34 116.5(4) . . ?
C34 N2 Eu1 120.5(3) . . ?
C1 O1 Eu1 137.5(3) . . ?
C3 O2 Eu1 135.7(3) . . ?
C9 O3 Eu1 133.7(3) . . ?
C11 O4 Eu1 133.4(3) . . ?
C17 O5 Eu1 135.7(3) . . ?
C19 O6 Eu1 136.4(3) . . ?
O1 C1 C2 124.0(4) . . ?
O1 C1 C4 114.4(4) . . ?
C2 C1 C4 121.6(4) . . ?
C1 C2 H2 117.5 . . ?
C3 C2 C1 124.9(4) . . ?
C3 C2 H2 117.5 . . ?
O2 C3 C2 124.6(4) . . ?
O2 C3 C8 115.4(4) . . ?
C2 C3 C8 120.0(4) . . ?
C1 C4 C5 128.4(4) . . ?
C1 C4 S1 116.8(3) . . ?
C5 C4 S1 114.7(3) . . ?
C4 C5 H5 128.8 . . ?
C6 C5 C4 102.3(4) . . ?
C6 C5 H5 128.8 . . ?
C5 C6 H6 121.7 . . ?
C7 C6 C5 116.7(5) . . ?
C7 C6 H6 121.7 . . ?
C6 C7 H7 123.0 . . ?
C6 C7 S1 114.1(4) . . ?
S1 C7 H7 123.0 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C9 C10 126.5(4) . . ?
O3 C9 C12 115.8(4) . . ?
C10 C9 C12 117.6(5) . . ?
C9 C10 H10 118.6 . . ?
C11 C10 C9 122.8(5) . . ?
C11 C10 H10 118.6 . . ?
O4 C11 C10 125.4(5) . . ?
O4 C11 C16 116.0(4) . . ?
C10 C11 C16 118.4(5) . . ?
C9 C12 S2 116.7(4) . . ?
C13 C12 C9 132.3(5) . . ?
C13 C12 S2 110.9(4) . . ?
C12 C13 H13 123.0 . . ?
C12 C13 C14 114.1(6) . . ?
C14 C13 H13 123.0 . . ?
C13 C14 H14 124.3 . . ?
C15 C14 C13 111.5(6) . . ?
C15 C14 H14 124.3 . . ?
C14 C15 H15 124.0 . . ?
C14 C15 S2 112.1(4) . . ?
S2 C15 H15 124.0 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O5 C17 C18 125.2(4) . . ?
O5 C17 C20 115.6(4) . . ?
C18 C17 C20 119.2(4) . . ?
C17 C18 H18 118.1 . . ?
C19 C18 C17 123.7(4) . . ?
C19 C18 H18 118.1 . . ?
O6 C19 C18 125.1(4) . . ?
O6 C19 C24 115.7(4) . . ?
C18 C19 C24 119.1(4) . . ?
C17 C20 C21 130.1(4) . . ?
C17 C20 S3 117.6(3) . . ?
C21 C20 S3 112.3(3) . . ?
C20 C21 H21 127.1 . . ?
C22 C21 C20 105.8(4) . . ?
C22 C21 H21 127.1 . . ?
C21 C22 H22 122.4 . . ?
C23 C22 C21 115.2(4) . . ?
C23 C22 H22 122.4 . . ?
C22 C23 H23 123.4 . . ?
C22 C23 S3 113.2(4) . . ?
S3 C23 H23 123.4 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C25 H25 118.7 . . ?
N1 C25 C26 122.6(5) . . ?
C26 C25 H25 118.7 . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.7(5) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.2 . . ?
C26 C27 C28 119.7(5) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 C29 116.5(5) . . ?
C27 C28 C35 123.1(5) . . ?
C29 C28 C35 120.4(5) . . ?
N1 C29 C28 123.8(4) . . ?
N1 C29 C34 118.1(4) . . ?
C28 C29 C34 118.0(5) . . ?
N2 C30 H30 118.1 . . ?
N2 C30 C31 123.8(5) . . ?
C31 C30 H30 118.1 . . ?
C30 C31 H31 120.1 . . ?
C32 C31 C30 119.7(5) . . ?
C32 C31 H31 120.1 . . ?
C31 C32 H32 120.7 . . ?
C31 C32 C33 118.6(5) . . ?
C33 C32 H32 120.7 . . ?
C32 C33 C36 121.3(6) . . ?
C34 C33 C32 117.5(5) . . ?
C34 C33 C36 121.1(5) . . ?
N2 C34 C29 116.6(4) . . ?
N2 C34 C33 123.9(4) . . ?
C33 C34 C29 119.5(5) . . ?
C28 C35 H35 119.4 . . ?
C36 C35 C28 121.2(5) . . ?
C36 C35 H35 119.4 . . ?
C33 C36 H36 120.1 . . ?
C35 C36 C33 119.8(6) . . ?
C35 C36 H36 120.1 . . ?
C7 S1 C4 92.2(2) . . ?
C15 S2 C12 91.4(3) . . ?
C23 S3 C20 93.6(3) . . ?
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 2.595(4) . ?
Eu1 N2 2.643(4) . ?
Eu1 O1 2.349(3) . ?
Eu1 O2 2.361(3) . ?
Eu1 O3 2.345(3) . ?
Eu1 O4 2.367(4) . ?
Eu1 O5 2.367(3) . ?
Eu1 O6 2.344(3) . ?
N1 C25 1.340(5) . ?
N1 C29 1.345(7) . ?
N2 C30 1.335(6) . ?
N2 C34 1.363(6) . ?
O1 C1 1.249(5) . ?
O2 C3 1.285(5) . ?
O3 C9 1.257(6) . ?
O4 C11 1.255(6) . ?
O5 C17 1.255(5) . ?
O6 C19 1.274(5) . ?
C1 C2 1.394(6) . ?
C1 C4 1.483(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(7) . ?
C3 C8 1.503(6) . ?
C4 C5 1.523(6) . ?
C4 S1 1.700(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.498(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.346(8) . ?
C7 H7 0.9500 . ?
C7 S1 1.691(5) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.413(7) . ?
C9 C12 1.488(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.405(6) . ?
C11 C16 1.523(7) . ?
C12 C13 1.360(9) . ?
C12 S2 1.726(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.410(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.371(11) . ?
C15 H15 0.9500 . ?
C15 S2 1.721(7) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.407(6) . ?
C17 C20 1.479(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.386(6) . ?
C19 C24 1.510(6) . ?
C20 C21 1.487(5) . ?
C20 S3 1.689(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.457(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.355(8) . ?
C23 H23 0.9500 . ?
C23 S3 1.668(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 0.9500 . ?
C25 C26 1.398(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.362(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.411(7) . ?
C28 C29 1.412(7) . ?
C28 C35 1.419(9) . ?
C29 C34 1.465(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.381(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.371(9) . ?
C32 H32 0.9500 . ?
C32 C33 1.413(7) . ?
C33 C34 1.388(8) . ?
C33 C36 1.422(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.371(9) . ?
C36 H36 0.9500 . ?
