#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:51:51 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178920 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/49/4114993.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_4114993
loop_
_publ_author_name
'Yann Bretonnière'
'Marinella Mazzanti'
'Jacques Pécaut'
'Marilyn M. Olmstead'
_publ_section_title
;
 Cation-Controlled Self-Assembly of a Hexameric Europium Wheel
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9012
_journal_page_last               9013
_journal_paper_doi               10.1021/ja012177e
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety
'Eu, 6 (C32 H20 Eu N6 O4), 9 (C F3 O3 S), 10 (C2 H3 N)'
_chemical_formula_sum            'C221 H150 Eu7 F27 N46 O51 S9'
_chemical_formula_weight         6131.13
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   22.9958(7)
_cell_length_b                   22.9958(7)
_cell_length_c                   31.3192(17)
_cell_measurement_temperature    223(2)
_cell_volume                     14342.9(10)
_computing_cell_refinement       'SMART (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       'π and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.090
_diffrn_reflns_av_sigmaI/netI    0.110
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            51321
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.662
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_description       block
_exptl_crystal_F_000             6068
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.329
_refine_diff_density_min         -1.766
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         11116
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1466
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1235P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1934
_refine_ls_wR_factor_ref         0.2288
_reflns_number_gt                5390
_reflns_number_total             11116
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja012177e_2.cif
_cod_data_source_block           2
_cod_database_code               4114993
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
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 0.02829(2) 0.28399(2) 0.514603(14) 0.03176(16) Uani 1 1 d . . .
Eu2 Eu 0.0000 0.0000 0.5000 0.0387(3) Uani 1 6 d S . .
O1 O 0.0031(3) 0.0815(3) 0.5426(2) 0.0548(18) Uani 1 1 d . . .
O2 O 0.0165(3) 0.1736(3) 0.5097(2) 0.0454(16) Uani 1 1 d . . .
O3 O 0.2022(3) 0.2792(3) 0.45584(19) 0.0421(15) Uani 1 1 d . . .
O4 O 0.1378(3) 0.3025(3) 0.4977(2) 0.0403(14) Uani 1 1 d . . .
N1 N 0.0563(3) 0.2429(3) 0.5822(2) 0.0362(17) Uani 1 1 d . . .
N2 N 0.1015(3) 0.3719(3) 0.5710(2) 0.0357(17) Uani 1 1 d . . .
N3 N 0.0942(4) 0.4083(4) 0.4889(2) 0.0387(18) Uani 1 1 d . . .
N4 N -0.0475(4) 0.3342(4) 0.5397(3) 0.0449(19) Uani 1 1 d . . .
N5 N -0.0569(3) 0.2835(3) 0.4597(2) 0.0378(17) Uani 1 1 d . . .
N6 N 0.0458(3) 0.2663(3) 0.4379(2) 0.0346(17) Uani 1 1 d . . .
C1 C 0.0408(4) 0.1790(4) 0.5839(3) 0.040(2) Uani 1 1 d . . .
C2 C 0.0459(5) 0.1493(5) 0.6204(4) 0.060(3) Uani 1 1 d . . .
H2 H 0.0346 0.1040 0.6204 0.072 Uiso 1 1 calc R . .
C3 C 0.0682(6) 0.1878(6) 0.6573(4) 0.076(4) Uani 1 1 d . . .
H3 H 0.0724 0.1688 0.6830 0.091 Uiso 1 1 calc R . .
C4 C 0.0842(5) 0.2545(5) 0.6559(3) 0.060(3) Uani 1 1 d . . .
H4 H 0.0988 0.2811 0.6807 0.072 Uiso 1 1 calc R . .
C5 C 0.0786(4) 0.2811(4) 0.6183(3) 0.046(2) Uani 1 1 d . . .
C6 C 0.1008(4) 0.3534(4) 0.6119(3) 0.043(2) Uani 1 1 d . . .
C7 C 0.1211(5) 0.3978(5) 0.6455(3) 0.057(3) Uani 1 1 d . . .
H7 H 0.1183 0.3833 0.6739 0.069 Uiso 1 1 calc R . .
C8 C 0.1458(5) 0.4650(6) 0.6356(4) 0.065(3) Uani 1 1 d . . .
H8 H 0.1591 0.4967 0.6577 0.078 Uiso 1 1 calc R . .
C9 C 0.1511(5) 0.4852(5) 0.5955(3) 0.055(3) Uani 1 1 d . . .
H9 H 0.1698 0.5311 0.5892 0.066 Uiso 1 1 calc R . .
C10 C 0.1283(4) 0.4374(4) 0.5622(3) 0.039(2) Uani 1 1 d . . .
C11 C 0.1346(4) 0.4562(4) 0.5166(3) 0.041(2) Uani 1 1 d . . .
C12 C 0.1817(5) 0.5210(5) 0.5037(4) 0.057(3) Uani 1 1 d . . .
H12 H 0.2091 0.5534 0.5239 0.069 Uiso 1 1 calc R . .
C13 C 0.1874(5) 0.5369(5) 0.4609(4) 0.064(3) Uani 1 1 d . . .
H13 H 0.2194 0.5800 0.4515 0.077 Uiso 1 1 calc R . .
C14 C 0.1461(5) 0.4889(5) 0.4325(4) 0.060(3) Uani 1 1 d . . .
H14 H 0.1489 0.4987 0.4032 0.072 Uiso 1 1 calc R . .
C15 C 0.0993(5) 0.4248(5) 0.4477(3) 0.050(2) Uani 1 1 d . . .
H15 H 0.0705 0.3922 0.4280 0.060 Uiso 1 1 calc R . .
C16 C -0.0458(5) 0.3537(5) 0.5799(4) 0.062(3) Uani 1 1 d . . .
H16 H -0.0074 0.3657 0.5965 0.075 Uiso 1 1 calc R . .
C17 C -0.1006(7) 0.3570(6) 0.5984(4) 0.080(4) Uani 1 1 d . . .
H17 H -0.0976 0.3728 0.6264 0.096 Uiso 1 1 calc R . .
C18 C -0.1560(7) 0.3373(8) 0.5755(5) 0.095(5) Uani 1 1 d . . .
H18 H -0.1934 0.3373 0.5876 0.114 Uiso 1 1 calc R . .
C19 C -0.1583(6) 0.3170(6) 0.5343(4) 0.073(3) Uani 1 1 d . . .
H19 H -0.1974 0.3026 0.5178 0.088 Uiso 1 1 calc R . .
C20 C -0.1028(5) 0.3179(4) 0.5169(3) 0.046(2) Uani 1 1 d . . .
C21 C -0.1045(4) 0.2973(4) 0.4720(3) 0.043(2) Uani 1 1 d . . .
C22 C -0.1529(5) 0.2932(5) 0.4437(4) 0.058(3) Uani 1 1 d . . .
H22 H -0.1859 0.3031 0.4530 0.069 Uiso 1 1 calc R . .
C23 C -0.1527(5) 0.2748(5) 0.4024(4) 0.058(3) Uani 1 1 d . . .
H23 H -0.1844 0.2731 0.3828 0.069 Uiso 1 1 calc R . .
C24 C -0.1042(5) 0.2586(5) 0.3898(3) 0.056(3) Uani 1 1 d . . .
H24 H -0.1039 0.2440 0.3618 0.067 Uiso 1 1 calc R . .
C25 C -0.0570(4) 0.2644(4) 0.4191(3) 0.044(2) Uani 1 1 d . . .
C26 C -0.0014(5) 0.2514(4) 0.4075(3) 0.043(2) Uani 1 1 d . . .
C27 C 0.0051(5) 0.2284(6) 0.3671(3) 0.059(3) Uani 1 1 d . . .
H27 H -0.0282 0.2170 0.3462 0.071 Uiso 1 1 calc R . .
C28 C 0.0584(6) 0.2231(6) 0.3591(4) 0.068(3) Uani 1 1 d . . .
H28 H 0.0625 0.2071 0.3323 0.081 Uiso 1 1 calc R . .
C29 C 0.1087(5) 0.2405(5) 0.3893(3) 0.050(2) Uani 1 1 d . . .
H29 H 0.1473 0.2379 0.3831 0.060 Uiso 1 1 calc R . .
C30 C 0.0998(4) 0.2618(4) 0.4287(3) 0.035(2) Uani 1 1 d . . .
C31 C 0.0187(4) 0.1431(4) 0.5419(3) 0.041(2) Uani 1 1 d . . .
C32 C 0.1505(4) 0.2823(4) 0.4639(3) 0.0342(19) Uani 1 1 d . . .
S1 S 0.3333 0.6667 0.57002(17) 0.0526(12) Uani 1 3 d S . .
O5 O 0.2718(3) 0.6655(3) 0.5596(3) 0.068(2) Uani 1 1 d . . .
C33 C 0.3333 0.6667 0.6259(7) 0.071(6) Uani 1 3 d S . .
F1 F 0.3874(4) 0.6677(5) 0.6418(3) 0.127(3) Uani 1 1 d . . .
S2 S 0.2040(4) 0.3469(5) 0.7500 0.063(2) Uiso 0.50 2 d SPD . 1
O6 O 0.2148(8) 0.3209(8) 0.7109(3) 0.082(5) Uiso 0.50 1 d PD . 1
O7 O 0.1408(7) 0.3454(11) 0.7500 0.059(6) Uiso 0.50 2 d SPD . 1
C34 C 0.2607(13) 0.4363(6) 0.7500 0.089(12) Uiso 0.50 2 d SPD . 1
F2 F 0.3172(15) 0.4343(17) 0.7500 0.157(11) Uiso 0.50 2 d SPD . 1
F3 F 0.2583(12) 0.4637(12) 0.7115(6) 0.160(9) Uiso 0.50 1 d PD . 1
S2A S 0.2180(5) 0.3874(6) 0.7500 0.081(3) Uiso 0.50 2 d SPD . 2
O6A O 0.2387(10) 0.3701(10) 0.7109(4) 0.101(6) Uiso 0.50 1 d PD . 2
O7A O 0.1522(8) 0.3802(16) 0.7500 0.108(10) Uiso 0.50 2 d SPD . 2
C34A C 0.2584(16) 0.4777(6) 0.7500 0.115(15) Uiso 0.50 2 d SPD . 2
F2A F 0.3201(16) 0.4903(17) 0.7500 0.166(12) Uiso 0.50 2 d SPD . 2
F3A F 0.2430(10) 0.4951(11) 0.7150(6) 0.148(8) Uiso 0.50 1 d PD . 2
S3 S 0.3333 0.6667 0.3732(3) 0.117(2) Uiso 1 3 d SD . .
O8 O 0.2718(8) 0.6081(9) 0.3598(8) 0.249(12) Uiso 0.67 1 d PD . .
O9 O 0.3333 0.6667 0.4188(3) 0.171(9) Uiso 1 3 d SD . .
S4 S 0.060(2) 0.041(2) 0.7500 0.270(18) Uiso 0.33 2 d SP . .
C35 C 0.0000 0.0000 0.7074(16) 0.098(15) Uiso 0.50 3 d SP . .
S5 S 0.3333 0.6667 0.2960(9) 0.106(9) Uiso 0.25 3 d SP . .
S6 S 0.203(2) 0.422(2) 0.3406(14) 0.085(12) Uiso 0.08 1 d P . .
N7 N 0.2607(16) 0.3176(16) 0.3193(10) 0.061(9) Uiso 0.25 1 d PD . 2
C36 C 0.226(3) 0.281(3) 0.2916(14) 0.110(19) Uiso 0.25 1 d PD . 2
C37 C 0.203(3) 0.241(2) 0.2500 0.15(2) Uiso 0.50 2 d SPD . 2
N8 N 0.1669(19) 0.189(2) 0.7500 0.155(16) Uiso 0.50 2 d SPD A 3
C38 C 0.225(2) 0.212(2) 0.7500 0.133(17) Uiso 0.50 2 d SPD A 3
C39 C 0.2986(19) 0.259(2) 0.7500 0.112(16) Uiso 0.50 2 d SPD A 3
N9 N 0.0505(15) 0.4009(15) 0.3405(11) 0.102(10) Uiso 0.38 1 d PD B 4
C40 C 0.012(2) 0.420(3) 0.3342(18) 0.16(2) Uiso 0.38 1 d PD B 4
C41 C -0.0481(17) 0.4285(19) 0.3349(12) 0.097(12) Uiso 0.38 1 d PD B 4
N10 N -0.045(3) 0.460(3) 0.4252(9) 0.163(19) Uiso 0.38 1 d PD C 5
C42 C -0.0349(19) 0.469(2) 0.4619(8) 0.084(12) Uiso 0.38 1 d PD C 5
C43 C 0.0000 0.5000 0.5000 0.081(8) Uiso 0.75 2 d SPD . 5
N11 N 0.513(3) 0.382(3) 0.2500 0.14(2) Uiso 0.33 2 d SPD D 6
C44 C 0.461(3) 0.378(3) 0.2500 0.096(19) Uiso 0.33 2 d SPD D 6
C45 C 0.400(2) 0.381(3) 0.2500 0.089(17) Uiso 0.33 2 d SPD D 6
N12 N -0.0122(15) 0.4861(15) 0.4775(9) 0.034(6) Uiso 0.25 1 d PD . 7
C46 C -0.025(4) 0.470(4) 0.4416(12) 0.11(2) Uiso 0.25 1 d PD E 7
C47 C -0.038(3) 0.451(3) 0.3958(11) 0.082(15) Uiso 0.25 1 d PD E 7
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'
Eu Eu -0.1578 3.6682 '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'
F F 0.0171 0.0103 '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
O3 Eu1 O4 142.0(2) 9_556 .
O3 Eu1 O2 70.2(2) 9_556 .
O4 Eu1 O2 74.3(2) . .
O3 Eu1 N6 115.2(2) 9_556 .
O4 Eu1 N6 64.9(2) . .
O2 Eu1 N6 73.2(2) . .
O3 Eu1 N1 74.3(2) 9_556 .
O4 Eu1 N1 79.0(2) . .
O2 Eu1 N1 65.0(2) . .
N6 Eu1 N1 130.6(2) . .
O3 Eu1 N2 111.1(2) 9_556 .
O4 Eu1 N2 78.2(2) . .
O2 Eu1 N2 123.6(2) . .
N6 Eu1 N2 133.7(2) . .
N1 Eu1 N2 62.0(2) . .
O3 Eu1 N5 77.8(2) 9_556 .
O4 Eu1 N5 125.3(2) . .
O2 Eu1 N5 105.3(2) . .
N6 Eu1 N5 63.1(2) . .
N1 Eu1 N5 152.0(2) . .
N2 Eu1 N5 130.6(2) . .
O3 Eu1 N3 142.0(2) 9_556 .
O4 Eu1 N3 75.7(2) . .
O2 Eu1 N3 146.1(2) . .
N6 Eu1 N3 80.2(2) . .
N1 Eu1 N3 123.5(2) . .
N2 Eu1 N3 63.7(2) . .
N5 Eu1 N3 79.9(2) . .
O3 Eu1 N4 66.3(2) 9_556 .
O4 Eu1 N4 148.4(2) . .
O2 Eu1 N4 136.4(2) . .
N6 Eu1 N4 123.4(2) . .
N1 Eu1 N4 105.1(2) . .
N2 Eu1 N4 76.6(2) . .
N5 Eu1 N4 62.6(2) . .
N3 Eu1 N4 76.2(2) . .
O1 Eu2 O1 89.1(2) 7_556 9_556
O1 Eu2 O1 90.9(2) 7_556 3
O1 Eu2 O1 180.0(3) 9_556 3
O1 Eu2 O1 180.0(3) 7_556 .
O1 Eu2 O1 90.9(2) 9_556 .
O1 Eu2 O1 89.1(2) 3 .
O1 Eu2 O1 89.1(2) 7_556 8_556
O1 Eu2 O1 89.1(2) 9_556 8_556
O1 Eu2 O1 90.9(2) 3 8_556
O1 Eu2 O1 90.9(2) . 8_556
O1 Eu2 O1 90.9(2) 7_556 2
O1 Eu2 O1 90.9(2) 9_556 2
O1 Eu2 O1 89.1(2) 3 2
O1 Eu2 O1 89.1(2) . 2
O1 Eu2 O1 180.0(3) 8_556 2
C31 O1 Eu2 141.4(6) . .
C31 O2 Eu1 121.7(5) . .
C32 O3 Eu1 144.4(6) . 8_556
C32 O4 Eu1 122.8(5) . .
C1 N1 C5 119.0(8) . .
C1 N1 Eu1 118.0(6) . .
C5 N1 Eu1 122.5(5) . .
C10 N2 C6 118.4(8) . .
C10 N2 Eu1 119.7(6) . .
C6 N2 Eu1 120.2(5) . .
C15 N3 C11 117.7(8) . .
C15 N3 Eu1 122.2(6) . .
C11 N3 Eu1 119.0(6) . .
C16 N4 C20 117.6(8) . .
C16 N4 Eu1 120.9(7) . .
C20 N4 Eu1 117.4(6) . .
C21 N5 C25 118.8(8) . .
C21 N5 Eu1 120.7(6) . .
C25 N5 Eu1 120.3(5) . .
C30 N6 C26 119.3(8) . .
C30 N6 Eu1 117.0(6) . .
C26 N6 Eu1 123.0(6) . .
N1 C1 C2 123.0(9) . .
N1 C1 C31 113.7(8) . .
C2 C1 C31 123.2(8) . .
C1 C2 C3 118.4(9) . .
C4 C3 C2 119.1(10) . .
C5 C4 C3 119.4(10) . .
C4 C5 N1 121.2(9) . .
C4 C5 C6 124.2(9) . .
N1 C5 C6 114.5(8) . .
N2 C6 C7 123.2(9) . .
N2 C6 C5 115.2(8) . .
C7 C6 C5 121.6(9) . .
C6 C7 C8 116.8(10) . .
C9 C8 C7 121.2(10) . .
C8 C9 C10 119.6(9) . .
N2 C10 C9 120.5(9) . .
N2 C10 C11 116.7(8) . .
C9 C10 C11 122.8(8) . .
N3 C11 C12 122.6(9) . .
N3 C11 C10 117.2(7) . .
C12 C11 C10 120.2(9) . .
C13 C12 C11 119.1(10) . .
C14 C13 C12 118.9(10) . .
C13 C14 C15 119.1(11) . .
N3 C15 C14 122.6(10) . .
N4 C16 C17 121.8(11) . .
C18 C17 C16 119.0(12) . .
C17 C18 C19 119.6(12) . .
C18 C19 C20 119.4(12) . .
N4 C20 C19 122.5(11) . .
N4 C20 C21 117.8(8) . .
C19 C20 C21 119.7(10) . .
N5 C21 C22 121.4(10) . .
N5 C21 C20 117.2(8) . .
C22 C21 C20 121.3(9) . .
C23 C22 C21 119.9(10) . .
C22 C23 C24 118.7(10) . .
C25 C24 C23 118.7(10) . .
N5 C25 C24 122.3(9) . .
N5 C25 C26 115.6(8) . .
C24 C25 C26 122.0(10) . .
N6 C26 C27 120.5(8) . .
N6 C26 C25 115.8(8) . .
C27 C26 C25 123.7(9) . .
C28 C27 C26 119.0(10) . .
C27 C28 C29 121.7(10) . .
C30 C29 C28 117.4(9) . .
N6 C30 C29 122.2(8) . .
N6 C30 C32 115.2(8) . .
C29 C30 C32 122.7(8) . .
O2 C31 O1 124.9(9) . .
O2 C31 C1 120.0(8) . .
O1 C31 C1 115.2(8) . .
O4 C32 O3 126.6(8) . .
O4 C32 C30 116.9(7) . .
O3 C32 C30 116.5(8) . .
O5 S1 O5 115.0(3) . 3_565
O5 S1 O5 115.0(3) . 2_665
O5 S1 O5 115.0(3) 3_565 2_665
O5 S1 C33 103.1(4) . .
O5 S1 C33 103.1(4) 3_565 .
O5 S1 C33 103.1(4) 2_665 .
F1 C33 F1 106.7(11) 2_665 3_565
F1 C33 F1 106.7(11) 2_665 .
F1 C33 F1 106.7(11) 3_565 .
F1 C33 S1 112.1(10) 2_665 .
F1 C33 S1 112.1(10) 3_565 .
F1 C33 S1 112.1(10) . .
O7 S2 O6 111.9(9) . .
O7 S2 O6 111.9(9) . 10_557
O6 S2 O6 116.8(15) . 10_557
O7 S2 C34 100.0(15) . .
O6 S2 C34 107.3(9) . .
O6 S2 C34 107.3(9) 10_557 .
F2 C34 F3 106.3(18) . 10_557
F2 C34 F3 106.3(18) . .
F3 C34 F3 123(3) 10_557 .
F2 C34 S2 97(2) . .
F3 C34 S2 110.6(12) 10_557 .
F3 C34 S2 110.6(12) . .
O7A S2A O6A 116.2(10) . 10_557
O7A S2A O6A 116.2(10) . .
O6A S2A O6A 116.6(17) 10_557 .
O7A S2A C34A 92.3(18) . .
O6A S2A C34A 105.5(12) 10_557 .
O6A S2A C34A 105.5(12) . .
F3A C34A F3A 118(3) . 10_557
F3A C34A F2A 111.9(19) . .
F3A C34A F2A 111.9(19) 10_557 .
F3A C34A S2A 107.3(14) . .
F3A C34A S2A 107.3(14) 10_557 .
F2A C34A S2A 98(2) . .
O9 S3 O8 106.9(12) . 3_565
O9 S3 O8 106.9(12) . .
O8 S3 O8 112.0(11) 3_565 .
O9 S3 O8 106.9(12) . 2_665
O8 S3 O8 112.0(11) 3_565 2_665
O8 S3 O8 112.0(11) . 2_665
O9 S3 S5 180.000(9) . .
O8 S3 S5 73.1(12) 3_565 .
O8 S3 S5 73.1(12) . .
O8 S3 S5 73.1(12) 2_665 .
N7 C36 C37 162(6) . .
N8 C38 C39 165(6) . .
N9 C40 C41 163(5) . .
N10 C42 C43 158(4) . .
N11 C44 C45 175(7) . .
N12 C46 C47 178(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O3 2.387(6) 9_556
Eu1 O4 2.394(6) .
Eu1 O2 2.420(6) .
Eu1 N6 2.502(8) .
Eu1 N1 2.529(7) .
Eu1 N2 2.576(7) .
Eu1 N5 2.603(7) .
Eu1 N3 2.604(7) .
Eu1 N4 2.646(7) .
Eu2 O1 2.272(6) 7_556
Eu2 O1 2.272(6) 9_556
Eu2 O1 2.272(6) 3
Eu2 O1 2.272(6) .
Eu2 O1 2.272(6) 8_556
Eu2 O1 2.272(6) 2
O1 C31 1.276(10) .
O2 C31 1.242(10) .
O3 C32 1.253(9) .
O3 Eu1 2.387(6) 8_556
O4 C32 1.248(10) .
N1 C1 1.328(10) .
N1 C5 1.367(11) .
N2 C10 1.339(10) .
N2 C6 1.347(11) .
N3 C15 1.334(12) .
N3 C11 1.344(11) .
N4 C16 1.331(12) .
N4 C20 1.338(11) .
N5 C21 1.338(10) .
N5 C25 1.345(11) .
N6 C30 1.329(10) .
N6 C26 1.353(11) .
C1 C2 1.365(12) .
C1 C31 1.501(13) .
C2 C3 1.391(14) .
C3 C4 1.389(14) .
C4 C5 1.362(13) .
C5 C6 1.489(12) .
C6 C7 1.376(12) .
C7 C8 1.390(14) .
C8 C9 1.322(14) .
C9 C10 1.414(12) .
C10 C11 1.479(13) .
C11 C12 1.394(12) .
C12 C13 1.376(14) .
C13 C14 1.366(14) .
C14 C15 1.404(12) .
C16 C17 1.422(14) .
C17 C18 1.330(16) .
C18 C19 1.365(17) .
C19 C20 1.379(13) .
C20 C21 1.477(14) .
C21 C22 1.391(12) .
C22 C23 1.360(15) .
C23 C24 1.396(14) .
C24 C25 1.376(12) .
C25 C26 1.498(12) .
C26 C27 1.405(14) .
C27 C28 1.315(13) .
C28 C29 1.389(13) .
C29 C30 1.380(12) .
C30 C32 1.499(11) .
S1 O5 1.438(6) .
S1 O5 1.438(6) 3_565
S1 O5 1.438(6) 2_665
S1 C33 1.75(2) .
C33 F1 1.328(10) 2_665
C33 F1 1.328(10) 3_565
C33 F1 1.328(10) .
S2 O7 1.436(5) .
S2 O6 1.440(5) .
S2 O6 1.440(5) 10_557
S2 C34 1.802(5) .
C34 F2 1.324(19) .
C34 F3 1.373(16) 10_557
C34 F3 1.373(16) .
S2A O7A 1.438(5) .
S2A O6A 1.441(5) 10_557
S2A O6A 1.441(5) .
S2A C34A 1.801(5) .
C34A F3A 1.277(16) .
C34A F3A 1.277(16) 10_557
C34A F2A 1.297(19) .
S3 O9 1.429(5) .
S3 O8 1.444(5) 3_565
S3 O8 1.444(5) .
S3 O8 1.444(5) 2_665
S4 C35 1.80(4) .
C35 S4 1.80(4) 2
C35 S4 1.80(4) 3
N7 C36 1.194(18) .
C36 C37 1.531(18) .
N8 C38 1.171(18) .
C38 C39 1.475(19) .
N9 C40 1.187(18) .
C40 C41 1.489(18) .
N10 C42 1.170(19) .
C42 C43 1.418(18) .
N11 C44 1.155(19) .
C44 C45 1.449(19) .
N12 C46 1.177(19) .
C46 C47 1.485(19) .
