#------------------------------------------------------------------------------
#$Date: 2022-03-05 00:14:38 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273372 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/93/7709374.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_7709374
loop_
_publ_author_name
'Brito-Santos, Gabriela'
'Hernández-Rodríguez, Cecilio'
'Gil-Hernández, Beatriz'
'González-Díaz, Benjamín'
'Martín, Inocencio R'
'Guerrero-Lemus, Ricardo'
'Sanchiz, Joaquín'
_publ_section_title
;
 Highly luminescent mixed-ligand bimetallic lanthanoid(III) complexes for
 photovoltaic applications.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3146
_journal_page_last               3158
_journal_paper_doi               10.1039/d1dt04248c
_journal_volume                  51
_journal_year                    2022
_chemical_formula_sum            'C68 H44 Eu2 F6 N4 O12 S2'
_chemical_formula_weight         1591.11
_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-2016/6
_audit_update_record
;
2021-09-21 deposited with the CCDC.	2022-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                94.967(4)
_cell_angle_beta                 103.974(4)
_cell_angle_gamma                111.457(4)
_cell_formula_units_Z            1
_cell_length_a                   10.4570(4)
_cell_length_b                   12.0687(6)
_cell_length_c                   14.0081(7)
_cell_measurement_reflns_used    5768
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.6420
_cell_measurement_theta_min      4.6430
_cell_volume                     1566.41(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    'DIAMOND 4.5 (Brandenburg, 2018)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.5953
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_unetI/netI     0.0657
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11462
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.648
_diffrn_reflns_theta_min         4.012
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    15.539
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41948
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             788
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.436
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         6027
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0667P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
_refine_ls_wR_factor_ref         0.1128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5440
_reflns_number_total             6027
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt04248c2.cif
_cod_data_source_block           gbs3_pl
_cod_depositor_comments          'Adding full bibliography for 7709374.cif.'
_cod_original_cell_volume        1566.40(13)
_cod_database_code               7709374
_shelx_shelxl_version_number     2016/6
_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 0.15832(2) 0.53165(2) 0.62846(2) 0.03171(10) Uani 1 1 d . . . . .
C6B1 C 0.6378(17) 0.923(2) 0.9488(15) 0.074(5) Uani 0.620(9) 1 d D . P A 1
H6B1 H 0.599691 0.941729 0.998312 0.089 Uiso 0.620(9) 1 calc R U P A 1
S1B1 S 0.6607(9) 0.8398(9) 0.7897(8) 0.097(3) Uani 0.620(9) 1 d . . P A 1
C6B2 C 0.655(3) 0.824(3) 0.794(3) 0.054(9) Uani 0.380(9) 1 d . . P A 2
H6B2 H 0.636233 0.772627 0.734394 0.065 Uiso 0.380(9) 1 calc R U P A 2
S1B2 S 0.6304(7) 0.9365(12) 0.9683(7) 0.081(3) Uani 0.380(9) 1 d D . P A 2
C5B C 0.5531(6) 0.8454(5) 0.8568(5) 0.0558(13) Uani 1 1 d D . . . .
C7B C 0.7867(8) 0.9694(7) 0.9596(8) 0.100(3) Uani 1 1 d D . . . .
H7B H 0.859241 1.022367 1.015275 0.120 Uiso 1 1 calc R U . A 1
C8B C 0.8056(9) 0.9238(9) 0.8751(9) 0.105(3) Uani 1 1 d D . . . .
H8B H 0.896120 0.940162 0.867237 0.126 Uiso 1 1 calc R U . A 1
F1B F -0.0015(6) 0.5735(4) 0.9285(4) 0.1005(16) Uani 1 1 d . . . . .
O1B O 0.0938(4) 0.6091(3) 0.7695(3) 0.0468(8) Uani 1 1 d . . . . .
O1C O -0.0699(3) 0.3899(3) 0.6295(2) 0.0428(7) Uani 1 1 d . . . . .
O1D O 0.0113(4) 0.6290(3) 0.5594(3) 0.0478(8) Uani 1 1 d . . . . .
N1A N 0.2369(4) 0.4360(4) 0.7800(3) 0.0423(8) Uani 1 1 d . . . . .
C1A C 0.1479(7) 0.3911(5) 0.8340(4) 0.0521(12) Uani 1 1 d . . . . .
H1A H 0.059358 0.397248 0.817942 0.062 Uiso 1 1 calc R U . . .
C1B C 0.0773(7) 0.6850(6) 0.9217(4) 0.0593(14) Uani 1 1 d . . . . .
C1C C -0.1987(5) 0.3460(4) 0.5766(3) 0.0368(9) Uani 1 1 d . . . . .
C1D C -0.0547(5) 0.6940(4) 0.5293(4) 0.0413(10) Uani 1 1 d . . . . .
F2B F 0.1552(5) 0.7425(5) 1.0148(3) 0.0968(15) Uani 1 1 d . . . . .
O2B O 0.3507(3) 0.7172(3) 0.7261(3) 0.0474(8) Uani 1 1 d . . . . .
O2C O -0.2469(3) 0.3811(3) 0.4985(3) 0.0464(7) Uani 1 1 d . . . . .
O2D O -0.1533(4) 0.6583(3) 0.4484(3) 0.0533(9) Uani 1 1 d . . . . .
N2A N 0.4169(4) 0.5252(4) 0.6678(3) 0.0419(8) Uani 1 1 d . . . . .
C2A C 0.1823(8) 0.3355(6) 0.9138(5) 0.0655(16) Uani 1 1 d . . . . .
H2A H 0.116493 0.303505 0.948828 0.079 Uiso 1 1 calc R U . . .
C2B C 0.1655(6) 0.6845(5) 0.8492(4) 0.0468(11) Uani 1 1 d . . . . .
C2C C -0.3042(6) 0.2450(5) 0.6085(5) 0.0527(12) Uani 1 1 d . U . . .
C2D C -0.0161(5) 0.8168(5) 0.5893(4) 0.0472(11) Uani 1 1 d . . . . .
F3B F -0.0129(5) 0.7361(5) 0.8912(4) 0.0910(13) Uani 1 1 d . . . . .
C3A C 0.3125(9) 0.3280(7) 0.9401(5) 0.0752(19) Uani 1 1 d . . . . .
H3A H 0.337523 0.292949 0.994262 0.090 Uiso 1 1 calc R U . . .
C3B C 0.3084(6) 0.7644(5) 0.8796(4) 0.0495(11) Uani 1 1 d D . . . .
C3C C -0.4447(9) 0.1896(10) 0.5534(10) 0.143(6) Uani 1 1 d . U . . .
H3C H -0.477763 0.211667 0.493265 0.172 Uiso 1 1 calc R U . . .
C3D C 0.1074(7) 0.8697(6) 0.6679(5) 0.0672(16) Uani 1 1 d . . . . .
H3D H 0.167967 0.829556 0.685282 0.081 Uiso 1 1 calc R U . . .
H3B H 0.349(8) 0.814(6) 0.940(3) 0.08(2) Uiso 1 1 d D . . . .
C4A C 0.4078(7) 0.3735(6) 0.8851(5) 0.0619(15) Uani 1 1 d . . . . .
C4B C 0.3962(5) 0.7718(4) 0.8162(4) 0.0443(10) Uani 1 1 d . . . . .
C4C C -0.5377(10) 0.0996(14) 0.5883(14) 0.188(7) Uani 1 1 d . U . . .
H4C H -0.634225 0.063090 0.551197 0.226 Uiso 1 1 calc R U . . .
C4D C 0.1412(10) 0.9851(7) 0.7218(6) 0.092(3) Uani 1 1 d . . . . .
H4D H 0.224230 1.021582 0.775696 0.110 Uiso 1 1 calc R U . . .
C5A C 0.5475(9) 0.3700(8) 0.9066(6) 0.081(2) Uani 1 1 d . . . . .
H5A H 0.576378 0.335031 0.959818 0.097 Uiso 1 1 calc R U . . .
C5C C -0.4948(11) 0.0626(11) 0.6735(12) 0.147(5) Uani 1 1 d . U . . .
H5C H -0.559356 0.000287 0.694185 0.176 Uiso 1 1 calc R U . . .
C5D C 0.0528(12) 1.0442(7) 0.6955(8) 0.108(3) Uani 1 1 d . . . . .
H5D H 0.076994 1.121548 0.730600 0.130 Uiso 1 1 calc R U . . .
C6A C 0.6362(8) 0.4145(7) 0.8536(6) 0.077(2) Uani 1 1 d . . . . .
H6A H 0.725729 0.410281 0.870655 0.093 Uiso 1 1 calc R U . . .
C6C C -0.3568(10) 0.1178(8) 0.7277(8) 0.098(3) Uani 1 1 d . U . . .
H6C H -0.325027 0.094534 0.787458 0.117 Uiso 1 1 calc R U . . .
C6D C -0.0700(13) 0.9906(8) 0.6186(9) 0.118(4) Uani 1 1 d . . . . .
H6D H -0.130622 1.030830 0.601995 0.141 Uiso 1 1 calc R U . . .
C7A C 0.5982(6) 0.4697(6) 0.7699(4) 0.0561(13) Uani 1 1 d . . . . .
C7C C -0.2619(7) 0.2078(6) 0.6967(5) 0.0674(16) Uani 1 1 d . U . . .
H7C H -0.166334 0.244991 0.735883 0.081 Uiso 1 1 calc R U . . .
C7D C -0.1065(9) 0.8753(7) 0.5640(7) 0.087(2) Uani 1 1 d . . . . .
H7D H -0.190902 0.838567 0.511147 0.104 Uiso 1 1 calc R U . . .
C8A C 0.6891(6) 0.5181(6) 0.7120(5) 0.0636(16) Uani 1 1 d . . . . .
H8A H 0.779749 0.516093 0.726309 0.076 Uiso 1 1 calc R U . . .
C9A C 0.6431(6) 0.5682(6) 0.6341(5) 0.0644(16) Uani 1 1 d . . . . .
H9A H 0.701706 0.600895 0.594472 0.077 Uiso 1 1 calc R U . . .
C10A C 0.5052(5) 0.5695(5) 0.6149(4) 0.0519(12) Uani 1 1 d . . . . .
H10A H 0.474773 0.603671 0.561530 0.062 Uiso 1 1 calc R U . . .
C11A C 0.4616(5) 0.4751(4) 0.7454(4) 0.0424(10) Uani 1 1 d . . . . .
C12A C 0.3653(5) 0.4273(4) 0.8037(4) 0.0443(10) 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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'
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
O1D Eu1 O2C 73.61(12) . 2_566 ?
O1D Eu1 O1C 79.53(13) . . ?
O2C Eu1 O1C 133.20(11) 2_566 . ?
O1D Eu1 O2B 93.72(13) . . ?
O2C Eu1 O2B 79.49(13) 2_566 . ?
O1C Eu1 O2B 140.59(12) . . ?
O1D Eu1 O2D 125.98(13) . 2_566 ?
O2C Eu1 O2D 87.87(14) 2_566 2_566 ?
O1C Eu1 O2D 77.78(13) . 2_566 ?
O2B Eu1 O2D 132.83(12) . 2_566 ?
O1D Eu1 O1B 74.93(12) . . ?
O2C Eu1 O1B 133.58(13) 2_566 . ?
O1C Eu1 O1B 71.34(12) . . ?
O2B Eu1 O1B 69.42(12) . . ?
O2D Eu1 O1B 138.50(14) 2_566 . ?
O1D Eu1 N1A 145.18(13) . . ?
O2C Eu1 N1A 139.32(12) 2_566 . ?
O1C Eu1 N1A 79.89(12) . . ?
O2B Eu1 N1A 84.76(13) . . ?
O2D Eu1 N1A 75.90(13) 2_566 . ?
O1B Eu1 N1A 72.01(12) . . ?
O1D Eu1 N2A 146.93(13) . . ?
O2C Eu1 N2A 77.05(12) 2_566 . ?
O1C Eu1 N2A 132.85(13) . . ?
O2B Eu1 N2A 65.94(12) . . ?
O2D Eu1 N2A 66.96(12) 2_566 . ?
O1B Eu1 N2A 117.24(12) . . ?
N1A Eu1 N2A 62.29(13) . . ?
O1D Eu1 O1D 78.10(12) . 2_566 ?
O2C Eu1 O1D 71.77(11) 2_566 2_566 ?
O1C Eu1 O1D 65.58(11) . 2_566 ?
O2B Eu1 O1D 151.26(12) . 2_566 ?
O2D Eu1 O1D 47.88(11) 2_566 2_566 ?
O1B Eu1 O1D 132.34(11) . 2_566 ?
N1A Eu1 O1D 117.56(11) . 2_566 ?
N2A Eu1 O1D 106.83(11) . 2_566 ?
O1D Eu1 C1D 102.59(13) . 2_566 ?
O2C Eu1 C1D 80.20(13) 2_566 2_566 ?
O1C Eu1 C1D 69.08(12) . 2_566 ?
O2B Eu1 C1D 149.10(12) . 2_566 ?
O2D Eu1 C1D 23.39(13) 2_566 2_566 ?
O1B Eu1 C1D 140.07(12) . 2_566 ?
N1A Eu1 C1D 95.84(13) . 2_566 ?
N2A Eu1 C1D 86.93(12) . 2_566 ?
O1D Eu1 C1D 24.53(12) 2_566 2_566 ?
C5B C6B1 C7B 113.7(14) . . ?
C8B S1B1 C5B 95.3(7) . . ?
C5B C6B2 C8B 95(2) . . ?
C7B S1B2 C5B 93.5(6) . . ?
C6B1 C5B C4B 132.1(9) . . ?
C4B C5B C6B2 117.8(12) . . ?
C4B C5B S1B2 123.7(6) . . ?
C6B2 C5B S1B2 118.1(11) . . ?
C6B1 C5B S1B1 107.9(9) . . ?
C4B C5B S1B1 120.0(5) . . ?
C8B C7B C6B1 108.1(10) . . ?
C8B C7B S1B2 119.8(7) . . ?
C7B C8B S1B1 114.9(7) . . ?
C7B C8B C6B2 113.6(18) . . ?
C2B O1B Eu1 133.2(3) . . ?
C1C O1C Eu1 139.7(3) . . ?
C1D O1D Eu1 172.5(3) . . ?
C1D O1D Eu1 84.8(3) . 2_566 ?
Eu1 O1D Eu1 101.90(12) . 2_566 ?
C1A N1A C12A 118.5(4) . . ?
C1A N1A Eu1 120.1(3) . . ?
C12A N1A Eu1 121.3(3) . . ?
N1A C1A C2A 122.6(6) . . ?
F3B C1B F1B 106.4(6) . . ?
F3B C1B F2B 106.8(5) . . ?
F1B C1B F2B 106.0(6) . . ?
F3B C1B C2B 111.3(5) . . ?
F1B C1B C2B 111.4(5) . . ?
F2B C1B C2B 114.4(5) . . ?
O1C C1C O2C 124.9(4) . . ?
O1C C1C C2C 117.8(4) . . ?
O2C C1C C2C 117.4(4) . . ?
O2D C1D O1D 120.9(4) . . ?
O2D C1D C2D 118.4(4) . . ?
O1D C1D C2D 120.8(5) . . ?
O2D C1D Eu1 50.4(2) . 2_566 ?
O1D C1D Eu1 70.6(3) . 2_566 ?
C2D C1D Eu1 167.8(4) . 2_566 ?
C4B O2B Eu1 136.4(4) . . ?
C1C O2C Eu1 136.8(3) . 2_566 ?
C1D O2D Eu1 106.2(3) . 2_566 ?
C10A N2A C11A 117.8(4) . . ?
C10A N2A Eu1 122.5(3) . . ?
C11A N2A Eu1 119.7(3) . . ?
C3A C2A C1A 119.7(6) . . ?
O1B C2B C3B 129.8(5) . . ?
O1B C2B C1B 112.7(5) . . ?
C3B C2B C1B 117.5(5) . . ?
C3C C2C C7C 117.9(7) . . ?
C3C C2C C1C 121.4(6) . . ?
C7C C2C C1C 120.7(5) . . ?
C3D C2D C7D 120.7(6) . . ?
C3D C2D C1D 120.5(5) . . ?
C7D C2D C1D 118.8(5) . . ?
C2A C3A C4A 119.3(6) . . ?
C2B C3B C4B 121.1(5) . . ?
C2C C3C C4C 118.7(9) . . ?
C2D C3D C4D 119.0(7) . . ?
C3A C4A C12A 118.3(6) . . ?
C3A C4A C5A 123.6(6) . . ?
C12A C4A C5A 118.1(6) . . ?
O2B C4B C3B 124.2(5) . . ?
O2B C4B C5B 116.6(5) . . ?
C3B C4B C5B 119.2(5) . . ?
C5C C4C C3C 123.0(10) . . ?
C5D C4D C3D 120.4(8) . . ?
C6A C5A C4A 122.4(6) . . ?
C6C C5C C4C 118.0(8) . . ?
C6D C5D C4D 120.2(7) . . ?
C5A C6A C7A 121.7(6) . . ?
C5C C6C C7C 121.0(9) . . ?
C5D C6D C7D 120.5(8) . . ?
C8A C7A C11A 118.4(5) . . ?
C8A C7A C6A 123.5(5) . . ?
C11A C7A C6A 118.1(6) . . ?
C6C C7C C2C 121.5(7) . . ?
C2D C7D C6D 119.2(7) . . ?
C9A C8A C7A 119.1(5) . . ?
C8A C9A C10A 118.7(6) . . ?
N2A C10A C9A 123.9(6) . . ?
N2A C11A C7A 122.0(5) . . ?
N2A C11A C12A 117.9(4) . . ?
C7A C11A C12A 120.1(5) . . ?
N1A C12A C4A 121.7(5) . . ?
N1A C12A C11A 118.8(4) . . ?
C4A C12A C11A 119.5(5) . . ?
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 O1D 2.341(3) . ?
Eu1 O2C 2.353(3) 2_566 ?
Eu1 O1C 2.378(3) . ?
Eu1 O2B 2.403(3) . ?
Eu1 O2D 2.423(3) 2_566 ?
Eu1 O1B 2.453(3) . ?
Eu1 N1A 2.605(4) . ?
Eu1 N2A 2.657(4) . ?
Eu1 O1D 2.860(4) 2_566 ?
Eu1 C1D 3.019(5) 2_566 ?
C6B1 C5B 1.398(16) . ?
C6B1 C7B 1.413(17) . ?
S1B1 C8B 1.595(13) . ?
S1B1 C5B 1.645(12) . ?
C6B2 C5B 1.61(5) . ?
C6B2 C8B 1.65(3) . ?
S1B2 C7B 1.573(12) . ?
S1B2 C5B 1.657(8) . ?
C5B C4B 1.483(7) . ?
C7B C8B 1.350(12) . ?
F1B C1B 1.322(8) . ?
O1B C2B 1.249(6) . ?
O1C C1C 1.254(6) . ?
O1D C1D 1.259(6) . ?
N1A C1A 1.333(7) . ?
N1A C12A 1.349(6) . ?
C1A C2A 1.393(8) . ?
C1B F3B 1.316(8) . ?
C1B F2B 1.327(7) . ?
C1B C2B 1.529(8) . ?
C1C O2C 1.264(6) . ?
C1C C2C 1.500(7) . ?
C1D O2D 1.248(6) . ?
C1D C2D 1.500(7) . ?
O2B C4B 1.260(6) . ?
N2A C10A 1.314(7) . ?
N2A C11A 1.357(7) . ?
C2A C3A 1.361(11) . ?
C2B C3B 1.382(8) . ?
C2C C3C 1.359(10) . ?
C2C C7C 1.379(9) . ?
C2D C3D 1.370(8) . ?
C2D C7D 1.373(9) . ?
C3A C4A 1.389(11) . ?
C3B C4B 1.409(8) . ?
C3C C4C 1.383(14) . ?
C3D C4D 1.401(10) . ?
C4A C12A 1.419(7) . ?
C4A C5A 1.435(10) . ?
C4C C5C 1.344(18) . ?
C4D C5D 1.365(14) . ?
C5A C6A 1.318(12) . ?
C5C C6C 1.335(15) . ?
C5D C6D 1.353(15) . ?
C6A C7A 1.442(10) . ?
C6C C7C 1.362(10) . ?
C6D C7D 1.399(10) . ?
C7A C8A 1.397(10) . ?
C7A C11A 1.413(7) . ?
C8A C9A 1.364(10) . ?
C9A C10A 1.408(8) . ?
C11A C12A 1.438(8) . ?
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
C7B C6B1 C5B C4B 175.9(10) . . . . ?
C7B C6B1 C5B S1B1 -2(2) . . . . ?
C8B C6B2 C5B C4B -178.9(9) . . . . ?
C8B C6B2 C5B S1B2 -6(2) . . . . ?
C7B S1B2 C5B C4B 175.6(6) . . . . ?
C7B S1B2 C5B C6B2 3.0(19) . . . . ?
C8B S1B1 C5B C6B1 3.1(14) . . . . ?
C8B S1B1 C5B C4B -175.2(6) . . . . ?
C5B C6B1 C7B C8B 0(2) . . . . ?
C5B S1B2 C7B C8B 2.3(13) . . . . ?
C6B1 C7B C8B S1B1 2.7(17) . . . . ?
S1B2 C7B C8B C6B2 -6.6(19) . . . . ?
C5B S1B1 C8B C7B -3.6(11) . . . . ?
C5B C6B2 C8B C7B 7(2) . . . . ?
C12A N1A C1A C2A -0.2(8) . . . . ?
Eu1 N1A C1A C2A 177.9(5) . . . . ?
Eu1 O1C C1C O2C -6.7(8) . . . . ?
Eu1 O1C C1C C2C 173.9(4) . . . . ?
Eu1 O1D C1D O2D 4.5(5) 2_566 . . . ?
Eu1 O1D C1D C2D -175.0(4) 2_566 . . . ?
O1C C1C O2C Eu1 29.4(8) . . . 2_566 ?
C2C C1C O2C Eu1 -151.3(4) . . . 2_566 ?
O1D C1D O2D Eu1 -5.5(6) . . . 2_566 ?
C2D C1D O2D Eu1 174.0(4) . . . 2_566 ?
N1A C1A C2A C3A 1.5(10) . . . . ?
Eu1 O1B C2B C3B 10.0(9) . . . . ?
Eu1 O1B C2B C1B -169.8(4) . . . . ?
F3B C1B C2B O1B -73.4(6) . . . . ?
F1B C1B C2B O1B 45.2(7) . . . . ?
F2B C1B C2B O1B 165.4(5) . . . . ?
F3B C1B C2B C3B 106.7(6) . . . . ?
F1B C1B C2B C3B -134.7(6) . . . . ?
F2B C1B C2B C3B -14.4(8) . . . . ?
O1C C1C C2C C3C -177.6(9) . . . . ?
O2C C1C C2C C3C 3.0(11) . . . . ?
O1C C1C C2C C7C 4.1(8) . . . . ?
O2C C1C C2C C7C -175.3(6) . . . . ?
O2D C1D C2D C3D -167.7(6) . . . . ?
O1D C1D C2D C3D 11.9(8) . . . . ?
Eu1 C1D C2D C3D -145.4(14) 2_566 . . . ?
O2D C1D C2D C7D 12.3(9) . . . . ?
O1D C1D C2D C7D -168.2(6) . . . . ?
Eu1 C1D C2D C7D 34.6(19) 2_566 . . . ?
C1A C2A C3A C4A -1.7(11) . . . . ?
O1B C2B C3B C4B 1.8(9) . . . . ?
C1B C2B C3B C4B -178.4(5) . . . . ?
C7C C2C C3C C4C 0(2) . . . . ?
C1C C2C C3C C4C -178.0(13) . . . . ?
C7D C2D C3D C4D -0.6(11) . . . . ?
C1D C2D C3D C4D 179.3(7) . . . . ?
C2A C3A C4A C12A 0.7(10) . . . . ?
C2A C3A C4A C5A -179.9(7) . . . . ?
Eu1 O2B C4B C3B -29.6(8) . . . . ?
Eu1 O2B C4B C5B 148.7(4) . . . . ?
C2B C3B C4B O2B 7.0(8) . . . . ?
C2B C3B C4B C5B -171.3(5) . . . . ?
C6B1 C5B C4B O2B 175.1(16) . . . . ?
C6B2 C5B C4B O2B -14.9(17) . . . . ?
S1B2 C5B C4B O2B 172.4(8) . . . . ?
S1B1 C5B C4B O2B -7.2(8) . . . . ?
C6B1 C5B C4B C3B -6.6(18) . . . . ?
C6B2 C5B C4B C3B 163.5(16) . . . . ?
S1B2 C5B C4B C3B -9.2(10) . . . . ?
S1B1 C5B C4B C3B 171.2(6) . . . . ?
C2C C3C C4C C5C -1(3) . . . . ?
C2D C3D C4D C5D -0.6(14) . . . . ?
C3A C4A C5A C6A -179.5(8) . . . . ?
C12A C4A C5A C6A -0.1(12) . . . . ?
C3C C4C C5C C6C 2(3) . . . . ?
C3D C4D C5D C6D 1.5(18) . . . . ?
C4A C5A C6A C7A -0.2(13) . . . . ?
C4C C5C C6C C7C -1(2) . . . . ?
C4D C5D C6D C7D -1(2) . . . . ?
C5A C6A C7A C8A 179.9(7) . . . . ?
C5A C6A C7A C11A 0.0(11) . . . . ?
C5C C6C C7C C2C -0.1(17) . . . . ?
C3C C2C C7C C6C 0.5(14) . . . . ?
C1C C2C C7C C6C 178.8(8) . . . . ?
C3D C2D C7D C6D 0.9(14) . . . . ?
C1D C2D C7D C6D -179.0(9) . . . . ?
C5D C6D C7D C2D 0.0(19) . . . . ?
C11A C7A C8A C9A -0.2(9) . . . . ?
C6A C7A C8A C9A 179.9(6) . . . . ?
C7A C8A C9A C10A 0.0(9) . . . . ?
C11A N2A C10A C9A -0.2(8) . . . . ?
Eu1 N2A C10A C9A 179.6(4) . . . . ?
C8A C9A C10A N2A 0.1(10) . . . . ?
C10A N2A C11A C7A 0.0(7) . . . . ?
Eu1 N2A C11A C7A -179.8(4) . . . . ?
C10A N2A C11A C12A 179.6(4) . . . . ?
Eu1 N2A C11A C12A -0.1(5) . . . . ?
C8A C7A C11A N2A 0.2(8) . . . . ?
C6A C7A C11A N2A -179.9(5) . . . . ?
C8A C7A C11A C12A -179.5(5) . . . . ?
C6A C7A C11A C12A 0.5(8) . . . . ?
C1A N1A C12A C4A -0.8(7) . . . . ?
Eu1 N1A C12A C4A -178.9(4) . . . . ?
C1A N1A C12A C11A 179.7(5) . . . . ?
Eu1 N1A C12A C11A 1.7(6) . . . . ?
C3A C4A C12A N1A 0.6(9) . . . . ?
C5A C4A C12A N1A -178.8(6) . . . . ?
C3A C4A C12A C11A -180.0(6) . . . . ?
C5A C4A C12A C11A 0.6(9) . . . . ?
N2A C11A C12A N1A -1.0(7) . . . . ?
C7A C11A C12A N1A 178.6(4) . . . . ?
N2A C11A C12A C4A 179.6(5) . . . . ?
C7A C11A C12A C4A -0.8(7) . . . . ?
