#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:29:26 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260782 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/49/7704946.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_7704946
loop_
_publ_author_name
'Vaz, Raphael C. A.'
'Esteves, Isabela O.'
'Oliveira, Willian X. C.'
'Honorato, João'
'Martins, Felipe T.'
'Marques, Lippy F.'
'Dos Santos, Guilherme L.'
'Freire, Ricardo O.'
'Jesus, Larissa T.'
'Pedroso, Emerson F.'
'Nunes, Wallace C.'
'Julve, Miguel'
'Pereira, Cynthia L. M.'
_publ_section_title
;
 Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent
 field-induced single-molecule magnets: solid-state photophysical and
 magnetic properties.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16106
_journal_page_last               16124
_journal_paper_doi               10.1039/d0dt02497j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C50 H66 Eu F4 N5 O15 S'
_chemical_formula_weight         1237.09
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-07 deposited with the CCDC.	2020-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                74.932(5)
_cell_angle_beta                 89.752(5)
_cell_angle_gamma                61.685(7)
_cell_formula_units_Z            2
_cell_length_a                   14.2518(10)
_cell_length_b                   14.5549(9)
_cell_length_c                   16.2386(8)
_cell_measurement_reflns_used    14104
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.9150
_cell_measurement_theta_min      2.3160
_cell_volume                     2835.3(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    Mercury
_computing_publication_material  'Shelx - CIF Tables'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    Superflip
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4186
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_unetI/netI     0.0818
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            44030
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.238
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.223
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_correction_T_min  0.558
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_description       plate
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.691
_exptl_crystal_size_mid          0.576
_exptl_crystal_size_min          0.164
_refine_diff_density_max         2.127
_refine_diff_density_min         -0.970
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         11584
_refine_ls_number_restraints     474
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0530
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0695P)²+1.8631P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1264
_refine_ls_wR_factor_ref         0.1488
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8942
_reflns_number_total             11584
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02497j2.cif
_cod_data_source_block           1_F
_cod_depositor_comments
'Adding full bibliography for 7704941--7704948.cif.'
_cod_original_cell_volume        2835.3(3)
_cod_database_code               7704946
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -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 0.80153(2) 0.39631(2) 0.27285(2) 0.03315(10) Uani 1 1 d . . . . .
S1 S 0.92739(15) 0.09910(15) 0.30092(13) 0.0703(5) Uani 1 1 d . . . . .
O5 O 0.6991(3) 0.3527(3) 0.1905(2) 0.0508(10) Uani 1 1 d . . . . .
O2 O 0.7305(3) 0.3445(3) 0.4005(3) 0.0564(10) Uani 1 1 d . . . . .
O11 O 0.9442(3) 0.3497(3) 0.3785(2) 0.0480(9) Uani 1 1 d . . . . .
O6 O 0.7079(3) 0.5361(3) 0.1356(2) 0.0504(10) Uani 1 1 d . . . . .
O12 O 0.7595(3) 0.5353(3) 0.3465(2) 0.0482(9) Uani 1 1 d . . . . .
N2 N 0.5728(4) 0.6028(4) 0.0259(3) 0.0582(14) Uani 1 1 d . . . . .
H2 H 0.530910 0.586147 0.003103 0.070 Uiso 1 1 calc R U . . .
O3 O 0.6050(3) 0.5167(4) 0.2713(3) 0.0560(11) Uani 1 1 d . . . . .
O8 O 0.9186(4) 0.3473(4) 0.1691(3) 0.0653(12) Uani 1 1 d . . . . .
N4 N 0.8308(4) 0.6048(4) 0.4216(3) 0.0503(12) Uani 1 1 d . . . . .
H4 H 0.887165 0.587821 0.454539 0.060 Uiso 1 1 calc R U . . .
N1 N 0.4862(4) 0.5927(4) 0.3583(3) 0.0570(13) Uani 1 1 d . U . . .
H1 H 0.471055 0.579079 0.409832 0.068 Uiso 1 1 calc R U . . .
O13 O 0.8975(4) 0.2060(3) 0.3179(3) 0.0593(11) Uani 1 1 d . . . . .
O9 O 0.8822(4) 0.5159(4) 0.2207(2) 0.0593(11) Uani 1 1 d . U . . .
N3 N 0.9219(5) 0.5959(5) 0.0960(4) 0.0658(15) Uani 1 1 d . U . . .
H3 H 0.951573 0.583233 0.051028 0.079 Uiso 1 1 calc R U . . .
O10 O 1.0232(3) 0.4190(4) 0.4435(3) 0.0732(14) Uani 1 1 d . U . . .
O1 O 0.6158(5) 0.4106(5) 0.4899(4) 0.123(3) Uani 1 1 d . U . . .
C32 C 0.6478(5) 0.7511(5) 0.3588(4) 0.0636(17) Uani 1 1 d . U . . .
H32 H 0.636090 0.705866 0.334052 0.076 Uiso 1 1 calc R U . . .
O1S O 0.8668(5) 0.1253(5) 0.5259(4) 0.1032(18) Uani 1 1 d D . . . .
H1S H 0.823087 0.190955 0.496926 0.155 Uiso 1 1 d DR U . . .
H2S H 0.945371 0.085921 0.523019 0.155 Uiso 1 1 d DR U . . .
O4 O 0.5507(4) 0.4248(4) 0.0956(3) 0.0847(17) Uani 1 1 d . U . . .
C2 C 0.5753(5) 0.5137(5) 0.3423(4) 0.0475(13) Uani 1 1 d . U . . .
C3 C 0.4134(5) 0.6960(5) 0.3016(4) 0.0518(14) Uani 1 1 d . U . . .
F2 F 0.5236(6) 1.0064(5) -0.1442(4) 0.149(3) Uani 1 1 d . U . . .
C10 C 0.6391(5) 0.5288(5) 0.0960(3) 0.0452(13) Uani 1 1 d . U . . .
C1 C 0.6457(5) 0.4141(6) 0.4193(4) 0.0629(17) Uani 1 1 d . U . . .
C9 C 0.6277(5) 0.4258(5) 0.1298(4) 0.0522(15) Uani 1 1 d . U . . .
F1 F 0.1954(6) 0.9960(5) 0.1444(4) 0.158(3) Uani 1 1 d . U . . .
C27 C 0.7443(5) 0.7111(5) 0.4083(4) 0.0508(14) Uani 1 1 d . U . . .
F4 F 0.5054(4) 1.0264(4) 0.3713(4) 0.136(2) Uani 1 1 d . U . . .
C25 C 0.9453(4) 0.4221(5) 0.4071(4) 0.0479(14) Uani 1 1 d . U . . .
O2S O 0.9205(5) 0.9058(6) 0.5137(4) 0.126(2) Uani 1 1 d D . . . .
H3S H 0.943611 0.839655 0.543226 0.189 Uiso 1 1 d DR U . . .
H4S H 0.887175 0.970335 0.536442 0.189 Uiso 1 1 d DR U . . .
C8 C 0.4358(6) 0.7359(6) 0.2207(5) 0.0690(18) Uani 1 1 d . U . . .
H8 H 0.499712 0.693824 0.201876 0.083 Uiso 1 1 calc R U . . .
C11 C 0.5627(5) 0.7062(5) -0.0160(4) 0.0586(16) Uani 1 1 d . U . . .
C18 C 0.9134(5) 0.5142(6) 0.1501(4) 0.0563(15) Uani 1 1 d . U . . .
C19 C 0.8875(6) 0.6999(6) 0.1050(4) 0.0636(16) Uani 1 1 d . U . . .
C17 C 0.9431(7) 0.4127(6) 0.1216(5) 0.076(2) Uani 1 1 d . U . . .
C26 C 0.8365(4) 0.5261(5) 0.3893(3) 0.0412(12) Uani 1 1 d . U . . .
C4 C 0.3200(6) 0.7584(6) 0.3292(5) 0.0721(19) Uani 1 1 d . U . . .
H4A H 0.306571 0.732228 0.384027 0.086 Uiso 1 1 calc R U . . .
F3 F 0.7901(6) 1.0095(5) 0.1189(4) 0.137(2) Uani 1 1 d . U . . .
C7 C 0.3622(7) 0.8387(7) 0.1687(5) 0.087(2) Uani 1 1 d . U . . .
H7 H 0.376330 0.867601 0.115098 0.105 Uiso 1 1 calc R U . . .
C24 C 0.8231(6) 0.7398(6) 0.1656(5) 0.0738(19) Uani 1 1 d . U . . .
H24 H 0.801733 0.695936 0.203961 0.089 Uiso 1 1 calc R U . . .
C31 C 0.5683(6) 0.8573(6) 0.3456(5) 0.081(2) Uani 1 1 d . U . . .
H31 H 0.503689 0.884669 0.310772 0.097 Uiso 1 1 calc R U . . .
C13 C 0.4804(8) 0.8680(7) -0.1352(6) 0.097(3) Uani 1 1 d . U . . .
H13 H 0.433274 0.909068 -0.186429 0.117 Uiso 1 1 calc R U . . .
C6 C 0.2681(7) 0.8966(7) 0.1982(6) 0.093(3) Uani 1 1 d . U . . .
C12 C 0.4935(6) 0.7662(6) -0.0908(5) 0.078(2) Uani 1 1 d . U . . .
H12 H 0.454786 0.739001 -0.112330 0.094 Uiso 1 1 calc R U . . .
C16 C 0.6161(8) 0.7493(7) 0.0166(6) 0.103(3) Uani 1 1 d . U . . .
H16 H 0.662785 0.709090 0.068089 0.124 Uiso 1 1 calc R U . . .
C28 C 0.7597(6) 0.7790(6) 0.4460(5) 0.073(2) Uani 1 1 d . U . . .
H28 H 0.823979 0.752353 0.480986 0.088 Uiso 1 1 calc R U . . .
C22 C 0.8198(8) 0.9096(7) 0.1134(6) 0.092(2) Uani 1 1 d . U . . .
C21 C 0.8830(8) 0.8726(8) 0.0539(6) 0.098(3) Uani 1 1 d . U . . .
H21 H 0.904060 0.917538 0.016368 0.118 Uiso 1 1 calc R U . . .
C33 C 0.8074(7) 0.0894(7) 0.3067(6) 0.095(3) Uani 1 1 d . . . . .
H33A H 0.820148 0.022642 0.296408 0.142 Uiso 1 1 calc R U . . .
H33B H 0.786282 0.090096 0.362848 0.142 Uiso 1 1 calc R U . . .
H33C H 0.751049 0.150248 0.263930 0.142 Uiso 1 1 calc R U . . .
C5 C 0.2457(7) 0.8593(7) 0.2774(6) 0.096(3) Uani 1 1 d . U . . .
H5 H 0.181469 0.901236 0.295884 0.116 Uiso 1 1 calc R U . . .
C23 C 0.7909(8) 0.8437(7) 0.1692(6) 0.092(2) Uani 1 1 d . U . . .
H23 H 0.748690 0.869119 0.210584 0.110 Uiso 1 1 calc R U . . .
C30 C 0.5851(7) 0.9217(6) 0.3839(6) 0.090(2) Uani 1 1 d . U . . .
C20 C 0.9166(8) 0.7679(7) 0.0485(5) 0.089(2) Uani 1 1 d . U . . .
H20 H 0.958709 0.743640 0.006752 0.106 Uiso 1 1 calc R U . . .
C29 C 0.6816(6) 0.8842(7) 0.4321(6) 0.091(3) Uani 1 1 d . U . . .
H29 H 0.693513 0.930576 0.455088 0.109 Uiso 1 1 calc R U . . .
C34 C 0.9303(8) 0.1217(8) 0.1888(5) 0.097(3) Uani 1 1 d . . . . .
H34A H 0.949144 0.055452 0.174774 0.145 Uiso 1 1 calc R U . . .
H34B H 0.860669 0.177777 0.158394 0.145 Uiso 1 1 calc R U . . .
H34C H 0.982797 0.144129 0.172300 0.145 Uiso 1 1 calc R U . . .
C15 C 0.6018(9) 0.8512(8) -0.0257(6) 0.121(4) Uani 1 1 d . U . . .
H15 H 0.635491 0.881682 -0.002180 0.145 Uiso 1 1 calc R U . . .
C14 C 0.5369(7) 0.9060(7) -0.1029(6) 0.100(3) Uani 1 1 d . U . . .
O7 O 0.9837(8) 0.4049(6) 0.0555(5) 0.160(4) Uani 1 1 d . U . . .
N5 N 0.2666(8) 0.4449(8) 0.2698(6) 0.121(2) Uani 1 1 d . U . . .
C41 C 0.2423(16) 0.6473(13) 0.0541(10) 0.189(6) Uani 1 1 d D U . . .
H41A H 0.294188 0.599957 0.024384 0.227 Uiso 1 1 calc R U . . .
H41B H 0.172228 0.658807 0.034674 0.227 Uiso 1 1 calc R U . . .
C40 C 0.2687(14) 0.5910(13) 0.1447(9) 0.175(6) Uani 1 1 d . U . . .
H40A H 0.345167 0.562362 0.159935 0.211 Uiso 1 1 calc R U . . .
H40B H 0.231594 0.645267 0.174677 0.211 Uiso 1 1 calc R U . . .
C36 C 0.1216(11) 0.6077(10) 0.3089(9) 0.157(5) Uani 1 1 d . U . . .
H36A H 0.072972 0.579125 0.305658 0.189 Uiso 1 1 calc R U . . .
H36B H 0.113366 0.655909 0.252257 0.189 Uiso 1 1 calc R U . . .
C43 C 0.3884(10) 0.3735(11) 0.2940(9) 0.141(4) Uani 1 1 d . U . . .
H43A H 0.413581 0.328246 0.255526 0.169 Uiso 1 1 calc R U . . .
H43B H 0.419214 0.421613 0.281311 0.169 Uiso 1 1 calc R U . . .
C44 C 0.4345(10) 0.3016(11) 0.3817(10) 0.141(4) Uani 1 1 d . U . . .
H44A H 0.398993 0.258186 0.398352 0.169 Uiso 1 1 calc R U . . .
H44B H 0.420219 0.345839 0.420548 0.169 Uiso 1 1 calc R U . . .
C37 C 0.0865(13) 0.6720(12) 0.3668(9) 0.196(7) Uani 1 1 d D U . . .
H37A H 0.148513 0.673876 0.388854 0.235 Uiso 1 1 calc R U . . .
H37B H 0.066919 0.632562 0.415252 0.235 Uiso 1 1 calc R U . . .
C39 C 0.2473(13) 0.5068(11) 0.1781(9) 0.172(5) Uani 1 1 d . U . . .
H39A H 0.286360 0.452901 0.148269 0.207 Uiso 1 1 calc R U . . .
H39B H 0.171492 0.535972 0.159322 0.207 Uiso 1 1 calc R U . . .
C38 C -0.0008(12) 0.7831(11) 0.3401(10) 0.183(6) Uani 1 1 d D U . . .
H38A H -0.012704 0.812871 0.387777 0.275 Uiso 1 1 calc R U . . .
H38B H 0.017149 0.825904 0.293981 0.275 Uiso 1 1 calc R U . . .
H38C H -0.065032 0.784292 0.320569 0.275 Uiso 1 1 calc R U . . .
C42 C 0.2398(18) 0.7498(15) 0.0283(10) 0.243(9) Uani 1 1 d D U . . .
H42A H 0.221422 0.779967 -0.033169 0.364 Uiso 1 1 calc R U . . .
H42B H 0.186930 0.798828 0.055418 0.364 Uiso 1 1 calc R U . . .
H42C H 0.309271 0.739795 0.045097 0.364 Uiso 1 1 calc R U . . .
C35 C 0.2265(9) 0.5201(9) 0.3263(7) 0.121(2) Uani 1 1 d . U . . .
H35A H 0.235498 0.474930 0.384578 0.145 Uiso 1 1 calc R U . . .
H35B H 0.274604 0.549872 0.326591 0.145 Uiso 1 1 calc R U . . .
C46 C 0.6039(11) 0.1591(12) 0.4811(9) 0.162(5) Uani 1 1 d . U . . .
H46A H 0.679728 0.113509 0.482133 0.243 Uiso 1 1 calc R U . . .
H46B H 0.592934 0.205960 0.516496 0.243 Uiso 1 1 calc R U . . .
H46C H 0.571795 0.114329 0.502654 0.243 Uiso 1 1 calc R U . . .
C45 C 0.5537(10) 0.2264(12) 0.3916(10) 0.156(5) Uani 1 1 d . U . . .
H45A H 0.567147 0.178164 0.356168 0.187 Uiso 1 1 calc R U . . .
H45B H 0.588255 0.269666 0.369991 0.187 Uiso 1 1 calc R U . . .
C47 C 0.2149(11) 0.3780(11) 0.2838(12) 0.183(5) Uani 1 1 d D U . . .
H47A H 0.220476 0.349384 0.345631 0.220 Uiso 1 1 calc R U . . .
H47B H 0.139023 0.427069 0.262654 0.220 Uiso 1 1 calc R U . . .
C48 C 0.2472(12) 0.2869(12) 0.2492(12) 0.208(7) Uani 1 1 d D U . . .
H48A H 0.325119 0.243752 0.259339 0.250 Uiso 1 1 calc R U . . .
H48B H 0.225329 0.315054 0.187338 0.250 Uiso 1 1 calc R U . . .
C49 C 0.2026(13) 0.2155(13) 0.2854(14) 0.248(9) Uani 1 1 d D U . . .
H49A H 0.222480 0.193953 0.347257 0.297 Uiso 1 1 calc R U . . .
H49B H 0.125122 0.262850 0.274759 0.297 Uiso 1 1 calc R U . . .
C50 C 0.2201(16) 0.1162(14) 0.2664(16) 0.280(11) Uani 1 1 d D U . . .
H50A H 0.179781 0.087182 0.300496 0.420 Uiso 1 1 calc R U . . .
H50B H 0.196739 0.133045 0.206415 0.420 Uiso 1 1 calc R U . . .
H50C H 0.295317 0.063285 0.279821 0.420 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Eu Eu -0.1578 3.6682 '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
O13 Eu1 O8 74.86(15) . . ?
O13 Eu1 O11 74.78(14) . . ?
O8 Eu1 O11 92.69(15) . . ?
O13 Eu1 O5 78.36(14) . . ?
O8 Eu1 O5 81.93(15) . . ?
O11 Eu1 O5 153.08(14) . . ?
O13 Eu1 O2 75.16(14) . . ?
O8 Eu1 O2 149.99(15) . . ?
O11 Eu1 O2 80.78(14) . . ?
O5 Eu1 O2 90.75(14) . . ?
O13 Eu1 O12 133.38(13) . . ?
O8 Eu1 O12 130.36(14) . . ?
O11 Eu1 O12 66.68(12) . . ?
O5 Eu1 O12 135.28(13) . . ?
O2 Eu1 O12 73.74(14) . . ?
O13 Eu1 O6 135.17(13) . . ?
O8 Eu1 O6 73.36(15) . . ?
O11 Eu1 O6 137.00(13) . . ?
O5 Eu1 O6 66.60(12) . . ?
O2 Eu1 O6 129.91(13) . . ?
O12 Eu1 O6 91.42(13) . . ?
O13 Eu1 O9 124.78(16) . . ?
O8 Eu1 O9 65.18(14) . . ?
O11 Eu1 O9 70.86(14) . . ?
O5 Eu1 O9 128.30(13) . . ?
O2 Eu1 O9 136.79(14) . . ?
O12 Eu1 O9 65.42(13) . . ?
O6 Eu1 O9 66.34(13) . . ?
O13 Eu1 O3 127.46(15) . . ?
O8 Eu1 O3 136.48(15) . . ?
O11 Eu1 O3 126.98(12) . . ?
O5 Eu1 O3 69.79(14) . . ?
O2 Eu1 O3 64.92(14) . . ?
O12 Eu1 O3 65.62(12) . . ?
O6 Eu1 O3 65.38(13) . . ?
O9 Eu1 O3 107.75(15) . . ?
O13 Eu1 C26 118.84(14) . . ?
O8 Eu1 C26 118.04(15) . . ?
O11 Eu1 C26 46.99(13) . . ?
O5 Eu1 C26 155.51(14) . . ?
O2 Eu1 C26 78.34(14) . . ?
O12 Eu1 C26 20.39(12) . . ?
O6 Eu1 C26 103.82(14) . . ?
O9 Eu1 C26 58.46(13) . . ?
O3 Eu1 C26 85.72(13) . . ?
O13 Eu1 C9 97.79(15) . . ?
O8 Eu1 C9 83.18(16) . . ?
O11 Eu1 C9 172.27(15) . . ?
O5 Eu1 C9 19.82(14) . . ?
O2 Eu1 C9 99.55(15) . . ?
O12 Eu1 C9 120.90(15) . . ?
O6 Eu1 C9 47.84(14) . . ?
O9 Eu1 C9 112.85(14) . . ?
O3 Eu1 C9 59.23(15) . . ?
C26 Eu1 C9 140.71(15) . . ?
O13 Eu1 C18 115.88(16) . . ?
O8 Eu1 C18 46.63(16) . . ?
O11 Eu1 C18 83.11(15) . . ?
O5 Eu1 C18 110.65(15) . . ?
O2 Eu1 C18 157.16(16) . . ?
O12 Eu1 C18 85.05(15) . . ?
O6 Eu1 C18 57.49(14) . . ?
O9 Eu1 C18 20.43(14) . . ?
O3 Eu1 C18 114.05(16) . . ?
C26 Eu1 C18 78.83(15) . . ?
C9 Eu1 C18 98.58(15) . . ?
O13 S1 C34 106.4(3) . . ?
O13 S1 C33 104.5(3) . . ?
C34 S1 C33 98.6(4) . . ?
C9 O5 Eu1 120.2(3) . . ?
C1 O2 Eu1 120.1(4) . . ?
C25 O11 Eu1 120.3(3) . . ?
C10 O6 Eu1 117.2(3) . . ?
C26 O12 Eu1 116.0(3) . . ?
C10 N2 C11 127.9(5) . . ?
C2 O3 Eu1 115.1(4) . . ?
C17 O8 Eu1 121.8(4) . . ?
C26 N4 C27 128.3(5) . . ?
C2 N1 C3 128.4(5) . . ?
S1 O13 Eu1 149.3(3) . . ?
C18 O9 Eu1 114.6(4) . . ?
C18 N3 C19 126.8(6) . . ?
C31 C32 C27 120.6(6) . . ?
O3 C2 N1 124.3(6) . . ?
O3 C2 C1 118.8(5) . . ?
N1 C2 C1 116.9(5) . . ?
O3 C2 Eu1 44.7(3) . . ?
N1 C2 Eu1 159.6(4) . . ?
C1 C2 Eu1 76.5(3) . . ?
C4 C3 C8 120.0(6) . . ?
C4 C3 N1 117.9(6) . . ?
C8 C3 N1 122.1(6) . . ?
O6 C10 N2 125.4(5) . . ?
O6 C10 C9 118.4(5) . . ?
N2 C10 C9 116.2(5) . . ?
O6 C10 Eu1 42.8(3) . . ?
N2 C10 Eu1 166.9(4) . . ?
C9 C10 Eu1 75.9(3) . . ?
O1 C1 O2 127.4(7) . . ?
O1 C1 C2 118.9(6) . . ?
O2 C1 C2 113.7(5) . . ?
O1 C1 Eu1 160.1(6) . . ?
O2 C1 Eu1 40.2(3) . . ?
C2 C1 Eu1 75.9(3) . . ?
O4 C9 O5 128.0(6) . . ?
O4 C9 C10 117.7(5) . . ?
O5 C9 C10 114.3(5) . . ?
O4 C9 Eu1 161.3(4) . . ?
O5 C9 Eu1 40.0(2) . . ?
C10 C9 Eu1 76.2(3) . . ?
C32 C27 C28 119.0(6) . . ?
C32 C27 N4 123.6(5) . . ?
C28 C27 N4 117.4(5) . . ?
O10 C25 O11 127.8(6) . . ?
O10 C25 C26 118.5(5) . . ?
O11 C25 C26 113.7(4) . . ?
O10 C25 Eu1 161.0(4) . . ?
O11 C25 Eu1 39.8(3) . . ?
C26 C25 Eu1 75.4(3) . . ?
C7 C8 C3 119.4(7) . . ?
C12 C11 C16 119.0(6) . . ?
C12 C11 N2 117.6(6) . . ?
C16 C11 N2 123.3(6) . . ?
O9 C18 N3 124.5(6) . . ?
O9 C18 C17 117.8(5) . . ?
N3 C18 C17 117.8(5) . . ?
O9 C18 Eu1 44.9(3) . . ?
N3 C18 Eu1 157.7(5) . . ?
C17 C18 Eu1 76.3(3) . . ?
C20 C19 C24 118.2(7) . . ?
C20 C19 N3 118.0(7) . . ?
C24 C19 N3 123.8(6) . . ?
O7 C17 O8 127.0(7) . . ?
O7 C17 C18 118.9(6) . . ?
O8 C17 C18 114.1(6) . . ?
O7 C17 Eu1 161.9(7) . . ?
O8 C17 Eu1 38.9(3) . . ?
C18 C17 Eu1 76.1(3) . . ?
O12 C26 N4 123.3(5) . . ?
O12 C26 C25 119.9(5) . . ?
N4 C26 C25 116.7(4) . . ?
O12 C26 Eu1 43.6(2) . . ?
N4 C26 Eu1 164.2(4) . . ?
C25 C26 Eu1 76.9(3) . . ?
C3 C4 C5 120.8(7) . . ?
C6 C7 C8 118.3(7) . . ?
C23 C24 C19 120.3(7) . . ?
C30 C31 C32 119.2(7) . . ?
C14 C13 C12 118.9(7) . . ?
C5 C6 F1 120.0(8) . . ?
C5 C6 C7 122.9(8) . . ?
F1 C6 C7 117.1(8) . . ?
C11 C12 C13 120.4(7) . . ?
C11 C16 C15 121.1(7) . . ?
C29 C28 C27 120.4(7) . . ?
F3 C22 C23 120.3(9) . . ?
F3 C22 C21 119.6(8) . . ?
C23 C22 C21 120.0(8) . . ?
C22 C21 C20 120.4(8) . . ?
C6 C5 C4 118.5(8) . . ?
C22 C23 C24 120.9(8) . . ?
C31 C30 F4 118.8(7) . . ?
C31 C30 C29 121.1(7) . . ?
F4 C30 C29 120.0(7) . . ?
C19 C20 C21 120.2(8) . . ?
C28 C29 C30 119.6(7) . . ?
C14 C15 C16 118.1(8) . . ?
C13 C14 F2 119.9(8) . . ?
C13 C14 C15 122.3(7) . . ?
F2 C14 C15 117.6(8) . . ?
C47 N5 C39 110.9(12) . . ?
C47 N5 C35 109.3(9) . . ?
C39 N5 C35 111.5(9) . . ?
C47 N5 C43 110.5(10) . . ?
C39 N5 C43 106.5(10) . . ?
C35 N5 C43 108.1(9) . . ?
C42 C41 C40 116.5(15) . . ?
C39 C40 C41 120.4(16) . . ?
C35 C36 C37 118.5(14) . . ?
C44 C43 N5 120.2(11) . . ?
C43 C44 C45 113.3(12) . . ?
C36 C37 C38 121.7(14) . . ?
C40 C39 N5 126.0(15) . . ?
C36 C35 N5 121.0(11) . . ?
C46 C45 C44 114.4(14) . . ?
C48 C47 N5 122.9(13) . . ?
C47 C48 C49 114.6(15) . . ?
C50 C49 C48 128.7(18) . . ?
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 O13 2.333(4) . ?
Eu1 O8 2.367(4) . ?
Eu1 O11 2.378(4) . ?
Eu1 O5 2.379(4) . ?
Eu1 O2 2.405(4) . ?
Eu1 O12 2.445(4) . ?
Eu1 O6 2.446(4) . ?
Eu1 O9 2.488(4) . ?
Eu1 O3 2.497(4) . ?
Eu1 C26 3.187(5) . ?
Eu1 C9 3.200(5) . ?
Eu1 C18 3.202(6) . ?
S1 O13 1.507(4) . ?
S1 C34 1.768(8) . ?
S1 C33 1.782(8) . ?
O5 C9 1.256(7) . ?
O2 C1 1.257(7) . ?
O11 C25 1.264(6) . ?
O6 C10 1.236(6) . ?
O12 C26 1.235(6) . ?
N2 C10 1.324(7) . ?
N2 C11 1.418(8) . ?
O3 C2 1.224(7) . ?
O8 C17 1.246(8) . ?
N4 C26 1.347(7) . ?
N4 C27 1.407(7) . ?
N1 C2 1.330(7) . ?
N1 C3 1.412(8) . ?
O9 C18 1.229(7) . ?
N3 C18 1.339(8) . ?
N3 C19 1.401(9) . ?
O10 C25 1.236(6) . ?
O1 C1 1.218(8) . ?
C32 C31 1.373(9) . ?
C32 C27 1.373(8) . ?
O4 C9 1.240(7) . ?
C2 C1 1.536(9) . ?
C3 C4 1.363(9) . ?
C3 C8 1.393(9) . ?
F2 C14 1.360(9) . ?
C10 C9 1.542(8) . ?
F1 C6 1.363(9) . ?
C27 C28 1.386(8) . ?
F4 C30 1.361(8) . ?
C25 C26 1.526(8) . ?
C8 C7 1.383(10) . ?
C11 C12 1.361(9) . ?
C11 C16 1.373(9) . ?
C18 C17 1.530(10) . ?
C19 C20 1.380(9) . ?
C19 C24 1.390(9) . ?
C17 O7 1.224(8) . ?
C4 C5 1.369(10) . ?
F3 C22 1.336(9) . ?
C7 C6 1.367(11) . ?
C24 C23 1.374(10) . ?
C31 C30 1.358(10) . ?
C13 C14 1.345(11) . ?
C13 C12 1.390(10) . ?
C6 C5 1.359(11) . ?
C16 C15 1.377(11) . ?
C28 C29 1.356(10) . ?
C22 C23 1.352(11) . ?
C22 C21 1.356(12) . ?
C21 C20 1.392(12) . ?
C30 C29 1.370(11) . ?
C15 C14 1.361(11) . ?
N5 C47 1.452(14) . ?
N5 C39 1.474(15) . ?
N5 C35 1.514(12) . ?
N5 C43 1.526(14) . ?
C41 C42 1.424(14) . ?
C41 C40 1.437(18) . ?
C40 C39 1.378(17) . ?
C36 C35 1.396(14) . ?
C36 C37 1.422(16) . ?
C43 C44 1.461(17) . ?
C44 C45 1.503(17) . ?
C37 C38 1.442(13) . ?
C46 C45 1.479(17) . ?
C47 C48 1.446(14) . ?
C48 C49 1.462(14) . ?
C49 C50 1.461(9) . ?
