#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/54/7105468.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_7105468
loop_
_publ_author_name
'Li, Dong-Ping'
'Wang, Tian-Wei'
'Li, Cheng-Hui'
'Liu, Dong-Sheng'
'Li, Yi-Zhi'
'You, Xiao-Zeng'
_publ_section_title
;
 Single-ion magnets based on mononuclear lanthanide complexes with
 chiral Schiff base ligands [Ln(FTA)3L] (Ln = Sm, Eu, Gd, Tb and Dy).
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2929
_journal_page_last               2931
_journal_paper_doi               10.1039/b924547b
_journal_volume                  46
_journal_year                    2010
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C44 H32 Eu F9 N2 O11'
_chemical_formula_sum            'C44 H32 Eu F9 N2 O11'
_chemical_formula_weight         1087.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_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            3
_cell_length_a                   10.4826(10)
_cell_length_b                   10.4826(10)
_cell_length_c                   34.508(6)
_cell_measurement_reflns_used    5932
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.91
_cell_measurement_theta_min      2.24
_cell_volume                     3283.9(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex CCD '
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            24232
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.534
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.85
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1626
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.032
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.016(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7985
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.05P)²+1.99P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                6626
_reflns_number_total             7985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b924547b.txt
_cod_data_source_block           p32Eu
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3283.8(8)
_cod_original_sg_symbol_Hall     'P 32 '
_cod_original_sg_symbol_H-M      'P3(2) '
_cod_database_code               7105468
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
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
C1 C 0.2810(8) -0.0076(8) 0.1453(2) 0.0437(17) Uani 1 1 d . . .
C2 C 0.2689(8) 0.0131(8) 0.1033(2) 0.0411(17) Uani 1 1 d . . .
C3 C 0.3332(8) -0.0378(8) 0.07645(19) 0.0355(15) Uani 1 1 d . . .
H3 H 0.3771 -0.0902 0.0856 0.043 Uiso 1 1 calc R . .
C4 C 0.3347(8) -0.0126(8) 0.0347(2) 0.0418(17) Uani 1 1 d . . .
C5 C 0.4379(7) -0.0355(8) 0.0125(2) 0.0398(16) Uani 1 1 d . . .
C6 C 0.4593(8) -0.0120(9) -0.0240(2) 0.0471(18) Uani 1 1 d . . .
H6 H 0.4110 0.0203 -0.0405 0.057 Uiso 1 1 calc R . .
C7 C 0.5703(8) -0.0446(8) -0.0347(2) 0.0474(19) Uani 1 1 d . . .
H7 H 0.6002 -0.0488 -0.0598 0.057 Uiso 1 1 calc R . .
C8 C 0.6237(12) -0.0680(10) -0.0025(3) 0.063(3) Uani 1 1 d . . .
H8 H 0.7050 -0.0805 0.0001 0.075 Uiso 1 1 calc R . .
C9 C -0.0837(8) -0.0708(9) -0.0844(2) 0.0457(18) Uani 1 1 d . . .
C10 C -0.0407(8) 0.0402(8) -0.0529(2) 0.0447(17) Uani 1 1 d . . .
C11 C -0.0365(8) 0.1705(8) -0.0577(2) 0.0446(18) Uani 1 1 d . . .
H11 H -0.0615 0.1887 -0.0821 0.053 Uiso 1 1 calc R . .
C12 C 0.0013(8) 0.2809(9) -0.0298(2) 0.0453(18) Uani 1 1 d . . .
C13 C 0.0183(10) 0.4194(10) -0.0417(2) 0.054(2) Uani 1 1 d . . .
C14 C 0.0632(9) 0.5346(9) -0.0182(3) 0.054(2) Uani 1 1 d . . .
H14 H 0.0940 0.5404 0.0073 0.065 Uiso 1 1 calc R . .
C15 C 0.0555(8) 0.6439(8) -0.0386(2) 0.0413(16) Uani 1 1 d . . .
H15 H 0.0847 0.7377 -0.0293 0.050 Uiso 1 1 calc R . .
C16 C 0.0032(9) 0.5975(9) -0.0717(3) 0.053(2) Uani 1 1 d . . .
H16 H -0.0139 0.6500 -0.0908 0.064 Uiso 1 1 calc R . .
C17 C -0.2877(8) -0.0056(9) 0.1244(2) 0.0439(18) Uani 1 1 d . . .
C18 C -0.2097(7) -0.0442(8) 0.0965(2) 0.0374(16) Uani 1 1 d . . .
C19 C -0.2478(8) -0.1901(8) 0.09454(19) 0.0405(16) Uani 1 1 d . . .
H19 H -0.3231 -0.2597 0.1100 0.049 Uiso 1 1 calc R . .
C20 C -0.1675(8) -0.2353(7) 0.06749(17) 0.0348(15) Uani 1 1 d . . .
C21 C -0.2191(8) -0.3979(8) 0.0657(2) 0.0402(17) Uani 1 1 d . . .
C22 C -0.1528(10) -0.4588(9) 0.0484(2) 0.056(2) Uani 1 1 d . . .
H22 H -0.0627 -0.4155 0.0356 0.067 Uiso 1 1 calc R . .
C23 C -0.2623(10) -0.6181(9) 0.0549(2) 0.051(2) Uani 1 1 d . . .
H23 H -0.2484 -0.6956 0.0475 0.061 Uiso 1 1 calc R . .
C24 C -0.3774(11) -0.6334(8) 0.0720(3) 0.061(2) Uani 1 1 d . . .
H24 H -0.4629 -0.7224 0.0768 0.073 Uiso 1 1 calc R . .
C25 C 0.3582(11) 0.2986(10) -0.1247(2) 0.052(2) Uani 1 1 d . . .
H25 H 0.2575 0.2640 -0.1231 0.063 Uiso 1 1 calc R . .
C26 C 0.4262(10) 0.3224(9) -0.1608(2) 0.054(2) Uani 1 1 d . . .
H26 H 0.3713 0.3022 -0.1834 0.064 Uiso 1 1 calc R . .
C27 C 0.5749(8) 0.3759(7) -0.1623(2) 0.0471(18) Uani 1 1 d . . .
H27 H 0.6200 0.3938 -0.1865 0.057 Uiso 1 1 calc R . .
C28 C 0.6611(10) 0.4044(10) -0.1295(2) 0.058(2) Uani 1 1 d . . .
H28 H 0.7618 0.4395 -0.1313 0.070 Uiso 1 1 calc R . .
C29 C 0.5912(10) 0.3786(11) -0.0936(3) 0.062(2) Uani 1 1 d . . .
H29 H 0.6462 0.3966 -0.0710 0.074 Uiso 1 1 calc R . .
C30 C 0.4415(8) 0.3267(8) -0.0909(2) 0.0442(19) Uani 1 1 d . . .
C31 C 0.3541(8) 0.2934(9) -0.0528(2) 0.0444(18) Uani 1 1 d . . .
H31A H 0.2782 0.3195 -0.0563 0.053 Uiso 1 1 calc R . .
H31B H 0.3051 0.1880 -0.0483 0.053 Uiso 1 1 calc R . .
C32 C 0.4401(8) 0.3692(9) -0.0175(2) 0.0459(18) Uani 1 1 d . . .
H32 H 0.5085 0.3344 -0.0110 0.055 Uiso 1 1 calc R . .
C33 C 0.5202(10) 0.5391(10) -0.0170(2) 0.063(3) Uani 1 1 d . . .
H33A H 0.6254 0.5783 -0.0144 0.076 Uiso 1 1 calc R . .
H33B H 0.5025 0.5748 -0.0412 0.076 Uiso 1 1 calc R . .
C34 C 0.3613(8) 0.4530(8) 0.0279(2) 0.0421(17) Uani 1 1 d . . .
C35 C 0.2727(8) 0.4668(8) 0.0603(2) 0.0407(16) Uani 1 1 d . . .
C36 C 0.1725(9) 0.5610(9) 0.0992(2) 0.053(2) Uani 1 1 d . . .
H36A H 0.1018 0.5874 0.0896 0.064 Uiso 1 1 calc R . .
H36B H 0.2137 0.6122 0.1234 0.064 Uiso 1 1 calc R . .
C37 C 0.0999(8) 0.3908(8) 0.1044(2) 0.0418(17) Uani 1 1 d . . .
H37 H -0.0037 0.3432 0.0966 0.050 Uiso 1 1 calc R . .
C38 C 0.1099(9) 0.3468(9) 0.14493(19) 0.050(2) Uani 1 1 d . . .
H38A H 0.0910 0.2463 0.1442 0.060 Uiso 1 1 calc R . .
H38B H 0.0310 0.3461 0.1598 0.060 Uiso 1 1 calc R . .
C39 C 0.2548(8) 0.4404(8) 0.1674(2) 0.0445(18) Uani 1 1 d . . .
C40 C 0.2619(10) 0.5428(8) 0.1936(2) 0.0480(19) Uani 1 1 d . . .
H40 H 0.1780 0.5484 0.1991 0.058 Uiso 1 1 calc R . .
C41 C 0.3941(8) 0.6377(8) 0.2118(2) 0.0421(17) Uani 1 1 d . . .
H41 H 0.3987 0.7069 0.2294 0.050 Uiso 1 1 calc R . .
C42 C 0.5184(8) 0.6297(7) 0.20368(18) 0.0380(17) Uani 1 1 d . . .
H42 H 0.6065 0.6933 0.2161 0.046 Uiso 1 1 calc R . .
C43 C 0.5138(10) 0.5282(10) 0.1773(2) 0.057(2) Uani 1 1 d . . .
H43 H 0.5984 0.5240 0.1717 0.068 Uiso 1 1 calc R . .
C44 C 0.3804(9) 0.4320(11) 0.1590(2) 0.057(2) Uani 1 1 d . . .
H44 H 0.3756 0.3628 0.1413 0.069 Uiso 1 1 calc R . .
Eu1 Eu 0.09087(4) 0.10452(4) 0.039094(9) 0.04416(11) Uani 1 1 d . . .
F1 F 0.1759(6) -0.0298(6) 0.16639(14) 0.0583(12) Uani 1 1 d . . .
F2 F 0.3886(6) 0.1070(6) 0.16114(13) 0.0592(12) Uani 1 1 d . . .
F3 F 0.3013(5) -0.1195(5) 0.15421(12) 0.0478(10) Uani 1 1 d . . .
F4 F 0.0392(5) -0.0815(5) -0.09470(12) 0.0505(11) Uani 1 1 d . . .
F5 F -0.1812(5) -0.2039(5) -0.07320(13) 0.0506(11) Uani 1 1 d . . .
F6 F -0.1335(5) -0.0381(5) -0.11585(13) 0.0537(11) Uani 1 1 d . . .
F7 F -0.4233(5) -0.1150(4) 0.13337(12) 0.0458(10) Uani 1 1 d . . .
F8 F -0.3099(5) 0.1021(5) 0.11337(13) 0.0522(11) Uani 1 1 d . . .
F9 F -0.2215(5) 0.0357(5) 0.15887(12) 0.0473(10) Uani 1 1 d . . .
N1 N 0.1799(6) 0.3544(6) 0.07729(16) 0.0393(14) Uani 1 1 d . . .
N2 N 0.3364(7) 0.3394(7) 0.01430(18) 0.0473(15) Uani 1 1 d . . .
O1 O 0.1999(5) 0.0769(5) 0.09578(13) 0.0405(11) Uani 1 1 d . . .
O2 O 0.2532(6) 0.0310(6) 0.01792(13) 0.0440(12) Uani 1 1 d . . .
O3 O 0.5349(5) -0.0695(6) 0.02515(15) 0.0497(13) Uani 1 1 d . . .
O4 O 0.0266(6) 0.2647(6) 0.00491(16) 0.0461(13) Uani 1 1 d . . .
O5 O -0.0029(6) 0.0045(6) -0.02133(15) 0.0463(12) Uani 1 1 d . . .
O6 O -0.0249(6) 0.4525(6) -0.07473(16) 0.0534(14) Uani 1 1 d . . .
O7 O -0.1055(6) 0.0622(5) 0.07793(16) 0.0441(12) Uani 1 1 d . . .
O8 O -0.0599(5) -0.1590(5) 0.04945(14) 0.0383(11) Uani 1 1 d . . .
O9 O -0.3540(6) -0.4986(5) 0.08195(15) 0.0460(12) Uani 1 1 d . . .
O10 O 0.2917(6) 0.5959(6) 0.06975(16) 0.0519(13) Uani 1 1 d . . .
O11 O 0.4697(6) 0.5862(6) 0.01348(15) 0.0539(14) 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'
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'
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
F1 C1 F2 101.9(7) . . ?
F1 C1 F3 102.6(6) . . ?
F2 C1 F3 105.8(6) . . ?
F1 C1 C2 118.0(7) . . ?
F2 C1 C2 112.2(6) . . ?
F3 C1 C2 114.8(7) . . ?
O1 C2 C3 126.4(7) . . ?
O1 C2 C1 113.6(7) . . ?
C3 C2 C1 120.0(7) . . ?
C2 C3 C4 123.1(7) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
O2 C4 C5 120.4(6) . . ?
O2 C4 C3 123.8(6) . . ?
C5 C4 C3 115.8(7) . . ?
C6 C5 O3 107.1(7) . . ?
C6 C5 C4 124.4(7) . . ?
O3 C5 C4 128.2(7) . . ?
C5 C6 C7 107.2(8) . . ?
C5 C6 H6 126.4 . . ?
C7 C6 H6 126.4 . . ?
C8 C7 C6 107.6(7) . . ?
C8 C7 H7 126.2 . . ?
C6 C7 H7 126.2 . . ?
C7 C8 O3 104.3(8) . . ?
C7 C8 H8 127.8 . . ?
O3 C8 H8 127.8 . . ?
F5 C9 F6 108.6(6) . . ?
F5 C9 F4 104.5(6) . . ?
F6 C9 F4 108.1(6) . . ?
F5 C9 C10 112.9(6) . . ?
F6 C9 C10 113.6(7) . . ?
F4 C9 C10 108.6(6) . . ?
O5 C10 C11 122.7(7) . . ?
O5 C10 C9 114.2(7) . . ?
C11 C10 C9 123.1(7) . . ?
C10 C11 C12 127.1(7) . . ?
C10 C11 H11 116.5 . . ?
C12 C11 H11 116.5 . . ?
O4 C12 C11 122.3(7) . . ?
O4 C12 C13 118.8(7) . . ?
C11 C12 C13 118.8(7) . . ?
C14 C13 O6 107.2(8) . . ?
C14 C13 C12 123.6(8) . . ?
O6 C13 C12 128.5(8) . . ?
C13 C14 C15 107.5(8) . . ?
C13 C14 H14 126.2 . . ?
C15 C14 H14 126.2 . . ?
C16 C15 C14 109.8(8) . . ?
C16 C15 H15 125.1 . . ?
C14 C15 H15 125.1 . . ?
C15 C16 O6 107.6(7) . . ?
C15 C16 H16 126.2 . . ?
O6 C16 H16 126.2 . . ?
F8 C17 F9 105.4(7) . . ?
F8 C17 F7 103.5(6) . . ?
F9 C17 F7 103.2(5) . . ?
F8 C17 C18 114.5(6) . . ?
F9 C17 C18 114.2(6) . . ?
F7 C17 C18 114.8(7) . . ?
O7 C18 C19 126.4(7) . . ?
O7 C18 C17 116.5(7) . . ?
C19 C18 C17 116.9(6) . . ?
C18 C19 C20 119.3(6) . . ?
C18 C19 H19 120.4 . . ?
C20 C19 H19 120.4 . . ?
O8 C20 C19 128.1(6) . . ?
O8 C20 C21 115.1(6) . . ?
C19 C20 C21 116.5(6) . . ?
C22 C21 O9 113.7(7) . . ?
C22 C21 C20 126.6(7) . . ?
O9 C21 C20 119.6(6) . . ?
C21 C22 C23 100.3(7) . . ?
C21 C22 H22 129.8 . . ?
C23 C22 H22 129.8 . . ?
C24 C23 C22 111.0(8) . . ?
C24 C23 H23 124.5 . . ?
C22 C23 H23 124.5 . . ?
C23 C24 O9 108.6(7) . . ?
C23 C24 H24 125.7 . . ?
O9 C24 H24 125.7 . . ?
C26 C25 C30 119.8(8) . . ?
C26 C25 H25 120.1 . . ?
C30 C25 H25 120.1 . . ?
C27 C26 C25 118.9(8) . . ?
C27 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
C26 C27 C28 122.9(8) . . ?
C26 C27 H27 118.6 . . ?
C28 C27 H27 118.6 . . ?
C27 C28 C29 117.5(9) . . ?
C27 C28 H28 121.3 . . ?
C29 C28 H28 121.3 . . ?
C30 C29 C28 121.1(9) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C29 C30 C25 119.7(8) . . ?
C29 C30 C31 125.1(7) . . ?
C25 C30 C31 115.2(7) . . ?
C32 C31 C30 116.4(6) . . ?
C32 C31 H31A 108.2 . . ?
C30 C31 H31A 108.2 . . ?
C32 C31 H31B 108.2 . . ?
C30 C31 H31B 108.2 . . ?
H31A C31 H31B 107.3 . . ?
N2 C32 C31 108.3(6) . . ?
N2 C32 C33 98.9(6) . . ?
C31 C32 C33 117.4(7) . . ?
N2 C32 H32 110.5 . . ?
C31 C32 H32 110.5 . . ?
C33 C32 H32 110.5 . . ?
O11 C33 C32 109.7(6) . . ?
O11 C33 H33A 109.7 . . ?
C32 C33 H33A 109.7 . . ?
O11 C33 H33B 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
N2 C34 O11 122.1(7) . . ?
N2 C34 C35 123.8(6) . . ?
O11 C34 C35 114.0(6) . . ?
N1 C35 O10 120.5(7) . . ?
N1 C35 C34 119.3(7) . . ?
O10 C35 C34 120.2(6) . . ?
O10 C36 C37 103.2(6) . . ?
O10 C36 H36A 111.1 . . ?
C37 C36 H36A 111.1 . . ?
O10 C36 H36B 111.1 . . ?
C37 C36 H36B 111.1 . . ?
H36A C36 H36B 109.1 . . ?
N1 C37 C38 112.9(7) . . ?
N1 C37 C36 102.3(6) . . ?
C38 C37 C36 113.1(6) . . ?
N1 C37 H37 109.4 . . ?
C38 C37 H37 109.4 . . ?
C36 C37 H37 109.4 . . ?
C37 C38 C39 118.3(6) . . ?
C37 C38 H38A 107.7 . . ?
C39 C38 H38A 107.7 . . ?
C37 C38 H38B 107.7 . . ?
C39 C38 H38B 107.7 . . ?
H38A C38 H38B 107.1 . . ?
C40 C39 C44 120.1(8) . . ?
C40 C39 C38 118.5(7) . . ?
C44 C39 C38 121.0(7) . . ?
C39 C40 C41 120.0(8) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 120.2(8) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C41 C42 C43 120.7(7) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C42 C43 C44 119.3(8) . . ?
C42 C43 H43 120.4 . . ?
C44 C43 H43 120.4 . . ?
C39 C44 C43 119.7(9) . . ?
C39 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
O7 Eu1 O2 148.79(19) . . ?
O7 Eu1 O5 107.43(19) . . ?
O2 Eu1 O5 77.38(19) . . ?
O7 Eu1 O1 86.28(18) . . ?
O2 Eu1 O1 74.79(17) . . ?
O5 Eu1 O1 144.38(18) . . ?
O7 Eu1 O4 83.4(2) . . ?
O2 Eu1 O4 125.99(18) . . ?
O5 Eu1 O4 70.84(18) . . ?
O1 Eu1 O4 144.57(17) . . ?
O7 Eu1 O8 71.61(17) . . ?
O2 Eu1 O8 80.57(17) . . ?
O5 Eu1 O8 74.35(18) . . ?
O1 Eu1 O8 79.51(17) . . ?
O4 Eu1 O8 128.01(18) . . ?
O7 Eu1 N1 74.95(18) . . ?
O2 Eu1 N1 122.21(18) . . ?
O5 Eu1 N1 138.92(18) . . ?
O1 Eu1 N1 75.87(17) . . ?
O4 Eu1 N1 68.73(17) . . ?
O8 Eu1 N1 139.35(16) . . ?
O7 Eu1 N2 136.2(2) . . ?
O2 Eu1 N2 71.0(2) . . ?
O5 Eu1 N2 97.15(19) . . ?
O1 Eu1 N2 94.37(19) . . ?
O4 Eu1 N2 71.1(2) . . ?
O8 Eu1 N2 151.48(19) . . ?
N1 Eu1 N2 62.99(19) . . ?
C35 N1 C37 110.1(6) . . ?
C35 N1 Eu1 115.2(5) . . ?
C37 N1 Eu1 128.7(4) . . ?
C34 N2 C32 108.5(6) . . ?
C34 N2 Eu1 115.3(5) . . ?
C32 N2 Eu1 135.2(5) . . ?
C2 O1 Eu1 133.8(5) . . ?
C4 O2 Eu1 134.9(4) . . ?
C5 O3 C8 113.1(7) . . ?
C12 O4 Eu1 135.4(5) . . ?
C10 O5 Eu1 139.3(5) . . ?
C13 O6 C16 107.7(6) . . ?
C18 O7 Eu1 138.7(5) . . ?
C20 O8 Eu1 134.9(5) . . ?
C24 O9 C21 105.9(7) . . ?
C35 O10 C36 103.8(6) . . ?
C33 O11 C34 100.6(6) . . ?
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
C1 F1 1.242(9) . ?
C1 F2 1.289(9) . ?
C1 F3 1.328(9) . ?
C1 C2 1.481(10) . ?
C2 O1 1.234(9) . ?
C2 C3 1.397(11) . ?
C3 C4 1.464(9) . ?
C3 H3 0.9300 . ?
C4 O2 1.289(10) . ?
C4 C5 1.439(10) . ?
C5 C6 1.283(10) . ?
C5 O3 1.309(9) . ?
C6 C7 1.415(11) . ?
C6 H6 0.9300 . ?
C7 C8 1.319(13) . ?
C7 H7 0.9300 . ?
C8 O3 1.328(11) . ?
C8 H8 0.9300 . ?
C9 F5 1.309(9) . ?
C9 F6 1.323(9) . ?
C9 F4 1.394(9) . ?
C9 C10 1.487(10) . ?
C10 O5 1.279(9) . ?
C10 C11 1.355(11) . ?
C11 C12 1.400(11) . ?
C11 H11 0.9300 . ?
C12 O4 1.258(9) . ?
C12 C13 1.432(12) . ?
C13 C14 1.330(12) . ?
C13 O6 1.334(10) . ?
C14 C15 1.381(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.254(11) . ?
C15 H15 0.9300 . ?
C16 O6 1.400(9) . ?
C16 H16 0.9300 . ?
C17 F8 1.318(9) . ?
C17 F9 1.336(9) . ?
C17 F7 1.342(8) . ?
C17 C18 1.447(11) . ?
C18 O7 1.276(8) . ?
C18 C19 1.375(10) . ?
C19 C20 1.484(10) . ?
C19 H19 0.9300 . ?
C20 O8 1.182(8) . ?
C20 C21 1.510(10) . ?
C21 C22 1.299(11) . ?
C21 O9 1.392(9) . ?
C22 C23 1.497(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.279(13) . ?
C23 H23 0.9300 . ?
C24 O9 1.352(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.394(11) . ?
C25 C30 1.396(11) . ?
C25 H25 0.9300 . ?
C26 C27 1.369(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.396(11) . ?
C28 H28 0.9300 . ?
C29 C30 1.383(11) . ?
C29 H29 0.9300 . ?
C30 C31 1.539(10) . ?
C31 C32 1.487(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 N2 1.465(9) . ?
C32 C33 1.543(12) . ?
C32 H32 0.9800 . ?
C33 O11 1.377(10) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 N2 1.182(10) . ?
C34 O11 1.379(9) . ?
C34 C35 1.505(11) . ?
C35 N1 1.238(9) . ?
C35 O10 1.307(9) . ?
C36 O10 1.506(10) . ?
C36 C37 1.561(10) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 N1 1.430(10) . ?
C37 C38 1.492(10) . ?
C37 H37 0.9800 . ?
C38 C39 1.544(11) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.377(11) . ?
C39 C44 1.393(12) . ?
C40 C41 1.387(10) . ?
C40 H40 0.9300 . ?
C41 C42 1.375(10) . ?
C41 H41 0.9300 . ?
C42 C43 1.383(11) . ?
C42 H42 0.9300 . ?
C43 C44 1.400(12) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
Eu1 O7 2.306(5) . ?
Eu1 O2 2.310(5) . ?
Eu1 O5 2.320(5) . ?
Eu1 O1 2.355(5) . ?
Eu1 O4 2.408(5) . ?
Eu1 O8 2.427(4) . ?
Eu1 N1 2.651(6) . ?
Eu1 N2 2.662(6) . ?
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
F1 C1 C2 O1 34.2(9) . . . . ?
F2 C1 C2 O1 -83.8(8) . . . . ?
F3 C1 C2 O1 155.3(6) . . . . ?
F1 C1 C2 C3 -146.0(7) . . . . ?
F2 C1 C2 C3 96.0(8) . . . . ?
F3 C1 C2 C3 -24.9(10) . . . . ?
O1 C2 C3 C4 4.1(11) . . . . ?
C1 C2 C3 C4 -175.7(6) . . . . ?
C2 C3 C4 O2 -14.7(11) . . . . ?
C2 C3 C4 C5 163.6(7) . . . . ?
O2 C4 C5 C6 1.7(11) . . . . ?
C3 C4 C5 C6 -176.6(7) . . . . ?
O2 C4 C5 O3 175.0(7) . . . . ?
C3 C4 C5 O3 -3.3(11) . . . . ?
O3 C5 C6 C7 4.4(8) . . . . ?
C4 C5 C6 C7 178.9(7) . . . . ?
C5 C6 C7 C8 -8.1(9) . . . . ?
C6 C7 C8 O3 8.1(9) . . . . ?
F5 C9 C10 O5 50.8(9) . . . . ?
F6 C9 C10 O5 175.0(6) . . . . ?
F4 C9 C10 O5 -64.6(8) . . . . ?
F5 C9 C10 C11 -131.6(8) . . . . ?
F6 C9 C10 C11 -7.4(11) . . . . ?
F4 C9 C10 C11 113.0(8) . . . . ?
O5 C10 C11 C12 -3.1(12) . . . . ?
C9 C10 C11 C12 179.5(7) . . . . ?
C10 C11 C12 O4 -5.3(12) . . . . ?
C10 C11 C12 C13 171.8(8) . . . . ?
O4 C12 C13 C14 1.7(13) . . . . ?
C11 C12 C13 C14 -175.5(8) . . . . ?
O4 C12 C13 O6 -167.9(8) . . . . ?
C11 C12 C13 O6 14.9(13) . . . . ?
O6 C13 C14 C15 -3.9(10) . . . . ?
C12 C13 C14 C15 -175.4(8) . . . . ?
C13 C14 C15 C16 2.9(10) . . . . ?
C14 C15 C16 O6 -0.7(10) . . . . ?
F8 C17 C18 O7 38.5(9) . . . . ?
F9 C17 C18 O7 -83.0(8) . . . . ?
F7 C17 C18 O7 158.1(6) . . . . ?
F8 C17 C18 C19 -146.1(7) . . . . ?
F9 C17 C18 C19 92.3(8) . . . . ?
F7 C17 C18 C19 -26.5(10) . . . . ?
O7 C18 C19 C20 -2.8(11) . . . . ?
C17 C18 C19 C20 -177.7(6) . . . . ?
C18 C19 C20 O8 9.4(11) . . . . ?
C18 C19 C20 C21 -177.6(6) . . . . ?
O8 C20 C21 C22 4.2(11) . . . . ?
C19 C20 C21 C22 -169.7(8) . . . . ?
O8 C20 C21 O9 -172.2(6) . . . . ?
C19 C20 C21 O9 13.8(9) . . . . ?
O9 C21 C22 C23 0.2(9) . . . . ?
C20 C21 C22 C23 -176.5(7) . . . . ?
C21 C22 C23 C24 3.8(10) . . . . ?
C22 C23 C24 O9 -6.3(10) . . . . ?
C30 C25 C26 C27 -1.2(12) . . . . ?
C25 C26 C27 C28 1.6(12) . . . . ?
C26 C27 C28 C29 -0.9(13) . . . . ?
C27 C28 C29 C30 -0.1(14) . . . . ?
C28 C29 C30 C25 0.4(14) . . . . ?
C28 C29 C30 C31 179.4(8) . . . . ?
C26 C25 C30 C29 0.3(13) . . . . ?
C26 C25 C30 C31 -178.8(8) . . . . ?
C29 C30 C31 C32 22.3(13) . . . . ?
C25 C30 C31 C32 -158.7(7) . . . . ?
C30 C31 C32 N2 172.6(7) . . . . ?
C30 C31 C32 C33 61.7(10) . . . . ?
N2 C32 C33 O11 4.4(9) . . . . ?
C31 C32 C33 O11 120.5(8) . . . . ?
N2 C34 C35 N1 9.4(11) . . . . ?
O11 C34 C35 N1 -174.7(7) . . . . ?
N2 C34 C35 O10 -169.2(7) . . . . ?
O11 C34 C35 O10 6.7(10) . . . . ?
O10 C36 C37 N1 -2.4(7) . . . . ?
O10 C36 C37 C38 119.4(7) . . . . ?
N1 C37 C38 C39 75.1(9) . . . . ?
C36 C37 C38 C39 -40.4(11) . . . . ?
C37 C38 C39 C40 99.8(9) . . . . ?
C37 C38 C39 C44 -74.2(11) . . . . ?
C44 C39 C40 C41 -0.2(12) . . . . ?
C38 C39 C40 C41 -174.2(7) . . . . ?
C39 C40 C41 C42 -0.1(11) . . . . ?
C40 C41 C42 C43 0.5(11) . . . . ?
C41 C42 C43 C44 -0.6(11) . . . . ?
C40 C39 C44 C43 0.0(12) . . . . ?
C38 C39 C44 C43 173.9(7) . . . . ?
C42 C43 C44 C39 0.4(12) . . . . ?
O10 C35 N1 C37 3.7(9) . . . . ?
C34 C35 N1 C37 -174.9(6) . . . . ?
O10 C35 N1 Eu1 158.9(5) . . . . ?
C34 C35 N1 Eu1 -19.6(8) . . . . ?
C38 C37 N1 C35 -122.2(7) . . . . ?
C36 C37 N1 C35 -0.3(8) . . . . ?
C38 C37 N1 Eu1 86.9(7) . . . . ?
C36 C37 N1 Eu1 -151.2(5) . . . . ?
O7 Eu1 N1 C35 -151.8(6) . . . . ?
O2 Eu1 N1 C35 56.8(6) . . . . ?
O5 Eu1 N1 C35 -52.4(6) . . . . ?
O1 Eu1 N1 C35 118.2(5) . . . . ?
O4 Eu1 N1 C35 -63.2(5) . . . . ?
O8 Eu1 N1 C35 172.7(5) . . . . ?
N2 Eu1 N1 C35 15.7(5) . . . . ?
O7 Eu1 N1 C37 -2.1(5) . . . . ?
O2 Eu1 N1 C37 -153.5(5) . . . . ?
O5 Eu1 N1 C37 97.3(6) . . . . ?
O1 Eu1 N1 C37 -92.0(6) . . . . ?
O4 Eu1 N1 C37 86.5(6) . . . . ?
O8 Eu1 N1 C37 -37.6(7) . . . . ?
N2 Eu1 N1 C37 165.4(6) . . . . ?
O11 C34 N2 C32 1.7(10) . . . . ?
C35 C34 N2 C32 177.3(7) . . . . ?
O11 C34 N2 Eu1 -168.9(5) . . . . ?
C35 C34 N2 Eu1 6.7(10) . . . . ?
C31 C32 N2 C34 -126.4(7) . . . . ?
C33 C32 N2 C34 -3.5(8) . . . . ?
C31 C32 N2 Eu1 41.5(10) . . . . ?
C33 C32 N2 Eu1 164.4(6) . . . . ?
O7 Eu1 N2 C34 6.5(7) . . . . ?
O2 Eu1 N2 C34 -154.9(6) . . . . ?
O5 Eu1 N2 C34 131.1(6) . . . . ?
O1 Eu1 N2 C34 -82.6(6) . . . . ?
O4 Eu1 N2 C34 64.2(6) . . . . ?
O8 Eu1 N2 C34 -158.7(5) . . . . ?
N1 Eu1 N2 C34 -10.9(5) . . . . ?
O7 Eu1 N2 C32 -160.8(6) . . . . ?
O2 Eu1 N2 C32 37.8(7) . . . . ?
O5 Eu1 N2 C32 -36.2(7) . . . . ?
O1 Eu1 N2 C32 110.1(7) . . . . ?
O4 Eu1 N2 C32 -103.0(7) . . . . ?
O8 Eu1 N2 C32 34.0(9) . . . . ?
N1 Eu1 N2 C32 -178.2(8) . . . . ?
C3 C2 O1 Eu1 16.0(11) . . . . ?
C1 C2 O1 Eu1 -164.2(5) . . . . ?
O7 Eu1 O1 C2 137.2(6) . . . . ?
O2 Eu1 O1 C2 -17.8(6) . . . . ?
O5 Eu1 O1 C2 22.0(8) . . . . ?
O4 Eu1 O1 C2 -149.7(6) . . . . ?
O8 Eu1 O1 C2 65.2(6) . . . . ?
N1 Eu1 O1 C2 -147.4(6) . . . . ?
N2 Eu1 O1 C2 -86.7(6) . . . . ?
C5 C4 O2 Eu1 -173.0(5) . . . . ?
C3 C4 O2 Eu1 5.1(11) . . . . ?
O7 Eu1 O2 C4 -47.8(8) . . . . ?
O5 Eu1 O2 C4 -150.7(7) . . . . ?
O1 Eu1 O2 C4 6.8(6) . . . . ?
O4 Eu1 O2 C4 154.6(6) . . . . ?
O8 Eu1 O2 C4 -74.8(6) . . . . ?
N1 Eu1 O2 C4 68.8(7) . . . . ?
N2 Eu1 O2 C4 107.0(7) . . . . ?
C6 C5 O3 C8 0.7(9) . . . . ?
C4 C5 O3 C8 -173.5(7) . . . . ?
C7 C8 O3 C5 -5.8(9) . . . . ?
C11 C12 O4 Eu1 19.6(11) . . . . ?
C13 C12 O4 Eu1 -157.5(6) . . . . ?
O7 Eu1 O4 C12 -128.5(7) . . . . ?
O2 Eu1 O4 C12 40.0(8) . . . . ?
O5 Eu1 O4 C12 -17.4(7) . . . . ?
O1 Eu1 O4 C12 157.5(6) . . . . ?
O8 Eu1 O4 C12 -68.1(7) . . . . ?
N1 Eu1 O4 C12 155.1(7) . . . . ?
N2 Eu1 O4 C12 87.5(7) . . . . ?
C11 C10 O5 Eu1 -2.8(12) . . . . ?
C9 C10 O5 Eu1 174.9(5) . . . . ?
O7 Eu1 O5 C10 85.2(7) . . . . ?
O2 Eu1 O5 C10 -126.8(8) . . . . ?
O1 Eu1 O5 C10 -166.0(6) . . . . ?
O4 Eu1 O5 C10 8.9(7) . . . . ?
O8 Eu1 O5 C10 149.6(8) . . . . ?
N1 Eu1 O5 C10 -1.7(9) . . . . ?
N2 Eu1 O5 C10 -58.2(8) . . . . ?
C14 C13 O6 C16 3.5(9) . . . . ?
C12 C13 O6 C16 174.5(8) . . . . ?
C15 C16 O6 C13 -1.7(10) . . . . ?
C19 C18 O7 Eu1 -8.7(12) . . . . ?
C17 C18 O7 Eu1 166.1(5) . . . . ?
O2 Eu1 O7 C18 -18.5(9) . . . . ?
O5 Eu1 O7 C18 75.8(7) . . . . ?
O1 Eu1 O7 C18 -70.6(7) . . . . ?
O4 Eu1 O7 C18 143.3(7) . . . . ?
O8 Eu1 O7 C18 9.6(7) . . . . ?
N1 Eu1 O7 C18 -147.0(7) . . . . ?
N2 Eu1 O7 C18 -163.1(6) . . . . ?
C19 C20 O8 Eu1 -5.1(11) . . . . ?
C21 C20 O8 Eu1 -178.2(4) . . . . ?
O7 Eu1 O8 C20 -2.4(6) . . . . ?
O2 Eu1 O8 C20 163.3(7) . . . . ?
O5 Eu1 O8 C20 -117.3(7) . . . . ?
O1 Eu1 O8 C20 87.2(6) . . . . ?
O4 Eu1 O8 C20 -67.9(7) . . . . ?
N1 Eu1 O8 C20 33.8(8) . . . . ?
N2 Eu1 O8 C20 166.9(6) . . . . ?
C23 C24 O9 C21 6.1(9) . . . . ?
C22 C21 O9 C24 -3.8(9) . . . . ?
C20 C21 O9 C24 173.1(7) . . . . ?
N1 C35 O10 C36 -5.2(9) . . . . ?
C34 C35 O10 C36 173.3(6) . . . . ?
C37 C36 O10 C35 4.2(7) . . . . ?
C32 C33 O11 C34 -3.6(9) . . . . ?
N2 C34 O11 C33 1.4(10) . . . . ?
C35 C34 O11 C33 -174.7(7) . . . . ?
