#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:06:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180374 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/43/7204343.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_7204343
loop_
_publ_author_name
'Batsanov, Andrei S.'
'Bruce, James I.'
'Ganesh, Thota'
'Low, Paul J.'
'Kataky, Ritu'
'Puschmann, Horst'
'Steel, Patrick G.'
_publ_section_title
;
 Synthesis, characterisation and application of lanthanide cyclen
 complexes in organic synthesis
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              932
_journal_paper_doi               10.1039/b111628b
_journal_year                    2002
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C29 H46 Eu F3 N6 O7 S 2+,2(C F3 O3 S 1-)'
_chemical_formula_sum            'C31 H46 Eu F9 N6 O13 S3'
_chemical_formula_weight         1129.88
_chemical_name_systematic
;
1,4-bis-N'-{(R)-N-(a-methylbenzyl)acetamide}-1,4,7,10-
tetraazacycldodecane diaqua europium(III) 
tris(trifrluoromethylsulfonate)  
;
_chemical_optical_rotation
'[\a]~D~= +66.26 (c=3, CH~2~Cl~2~) for pure ligand'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   difmap
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.156(2)
_cell_length_b                   13.194(2)
_cell_length_c                   33.401(7)
_cell_measurement_reflns_used    794
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      12.0
_cell_volume                     4475.7(15)
_computing_cell_refinement       'SMART version 5.060 (Bruker, 1999)'
_computing_data_collection       'SMART version 5.060 (Bruker, 1999)'
_computing_data_reduction        'SAINT version 6.01 (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL version 5.10 (Bruker, 1997)'
_computing_publication_material  'SHELXTL version 5.10 (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'SMART 1K CCD area detector'
_diffrn_measurement_method       'ω scans'
_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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            37277
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.643
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6047
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS (Sheldrick,1998),R(int)=0.070 before correction'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.041
_refine_diff_density_min         -1.424
_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   -0.005(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         9301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0218P)²+6.1386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0622
_refine_ls_wR_factor_ref         0.0626
_reflns_Friedel_coverage         0.75
_reflns_number_gt                8997
_reflns_number_total             9301
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b111628b.txt
_cod_data_source_block           00srv343
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_database_code               7204343
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu 0.455132(16) 0.293108(13) 0.366040(5) 0.01284(4) Uani 1 1 d . . .
S1 S 0.78224(9) 0.18262(7) 0.33564(3) 0.0192(2) Uani 1 1 d . . .
S2 S 0.36046(10) 0.10329(8) 0.51433(3) 0.0209(2) Uani 1 1 d . . .
S3 S 0.39374(10) -0.11661(7) 0.33707(3) 0.02016(19) Uani 1 1 d . . .
F1 F 0.8933(2) 0.0047(2) 0.34250(9) 0.0360(6) Uani 1 1 d . . .
F2 F 0.6914(2) 0.00945(18) 0.36330(9) 0.0333(5) Uani 1 1 d . . .
F3 F 0.7335(3) 0.0094(2) 0.30019(8) 0.0368(6) Uani 1 1 d . . .
F4 F 0.2637(3) -0.0146(2) 0.45830(8) 0.0326(6) Uani 1 1 d . . .
F5 F 0.4497(3) -0.0635(2) 0.48204(10) 0.0514(8) Uani 1 1 d . . .
F6 F 0.2726(3) -0.0839(2) 0.51642(9) 0.0474(8) Uani 1 1 d . . .
F7 F 0.1919(3) -0.2364(2) 0.35227(8) 0.0382(7) Uani 1 1 d . . .
F8 F 0.1446(3) -0.1079(2) 0.31528(10) 0.0453(7) Uani 1 1 d . . .
F9 F 0.2533(3) -0.2332(2) 0.29053(9) 0.0493(8) Uani 1 1 d . . .
O1 O 0.5831(2) 0.44396(18) 0.36657(9) 0.0187(5) Uani 1 1 d . . .
O2 O 0.3804(3) 0.35890(19) 0.42841(8) 0.0180(5) Uani 1 1 d . . .
O3 O 0.4374(3) 0.13070(19) 0.40180(8) 0.0203(6) Uani 1 1 d . . .
H031 H 0.4195 0.0695 0.3975 0.026 Uiso 1 1 d R . .
H032 H 0.4518 0.1339 0.4265 0.026 Uiso 1 1 d R . .
O4 O 0.6430(2) 0.2121(2) 0.33235(7) 0.0231(6) Uani 1 1 d . . .
O5 O 0.6261(2) 0.2752(2) 0.41673(7) 0.0192(6) Uani 1 1 d . . .
H051 H 0.7038 0.2624 0.4097 0.025 Uiso 1 1 d R . .
H052 H 0.6446 0.3014 0.4389 0.025 Uiso 1 1 d R . .
O6 O 0.8392(2) 0.2072(2) 0.37423(7) 0.0228(6) Uani 1 1 d . . .
O7 O 0.8611(3) 0.2070(3) 0.30125(8) 0.0320(6) Uani 1 1 d . . .
O8 O 0.4545(3) 0.1497(2) 0.48733(8) 0.0268(6) Uani 1 1 d . . .
O9 O 0.2296(3) 0.1468(2) 0.51294(9) 0.0315(7) Uani 1 1 d . . .
O10 O 0.4120(3) 0.0817(3) 0.55380(9) 0.0328(7) Uani 1 1 d . . .
O11 O 0.4779(3) -0.2026(2) 0.34478(8) 0.0297(6) Uani 1 1 d . . .
O12 O 0.3598(3) -0.0564(2) 0.37175(9) 0.0286(7) Uani 1 1 d . . .
O13 O 0.4264(3) -0.0582(2) 0.30191(9) 0.0302(7) Uani 1 1 d . . .
N1 N 0.3157(3) 0.4635(2) 0.35056(9) 0.0156(6) Uani 1 1 d . . .
N4 N 0.2017(3) 0.2670(2) 0.37931(9) 0.0162(7) Uani 1 1 d . . .
N7 N 0.3564(3) 0.1634(2) 0.31667(9) 0.0164(6) Uani 1 1 d . . .
H7 H 0.3828 0.1028 0.3269 0.020 Uiso 1 1 d R . .
N10 N 0.4657(3) 0.3512(2) 0.29000(9) 0.0183(6) Uani 1 1 d . . .
H10 H 0.5532 0.3387 0.2866 0.022 Uiso 1 1 d R . .
N14 N 0.6131(3) 0.6131(2) 0.36811(10) 0.0182(6) Uani 1 1 d . . .
H14 H 0.5693 0.6700 0.3645 0.022 Uiso 1 1 d R . .
N18 N 0.2356(3) 0.3759(3) 0.47859(10) 0.0210(7) Uani 1 1 d . . .
H18 H 0.1639 0.3603 0.4921 0.025 Uiso 1 1 d R . .
C2 C 0.1815(3) 0.4551(3) 0.36797(14) 0.0186(7) Uani 1 1 d . . .
H2A H 0.1237 0.5070 0.3557 0.024 Uiso 1 1 d R . .
H2B H 0.1856 0.4688 0.3971 0.024 Uiso 1 1 d R . .
C3 C 0.1219(3) 0.3509(3) 0.36117(12) 0.0185(8) Uani 1 1 d . . .
H3A H 0.0323 0.3494 0.3728 0.024 Uiso 1 1 d R . .
H3B H 0.1136 0.3391 0.3320 0.024 Uiso 1 1 d R . .
C5 C 0.1606(3) 0.1685(3) 0.36193(13) 0.0189(8) Uani 1 1 d . . .
H5A H 0.0634 0.1636 0.3623 0.025 Uiso 1 1 d R . .
H5B H 0.1961 0.1131 0.3787 0.025 Uiso 1 1 d R . .
C6 C 0.2096(4) 0.1553(3) 0.31888(12) 0.0196(8) Uani 1 1 d . . .
H6A H 0.1815 0.0882 0.3087 0.026 Uiso 1 1 d R . .
H6B H 0.1698 0.2080 0.3016 0.026 Uiso 1 1 d R . .
C8 C 0.4012(4) 0.1748(3) 0.27468(12) 0.0211(8) Uani 1 1 d . . .
H8A H 0.3460 0.1323 0.2570 0.027 Uiso 1 1 d R . .
H8B H 0.4935 0.1513 0.2723 0.027 Uiso 1 1 d R . .
C9 C 0.3915(4) 0.2853(3) 0.26178(10) 0.0210(8) Uani 1 1 d . . .
H9A H 0.4279 0.2925 0.2344 0.027 Uiso 1 1 d R . .
H9B H 0.2980 0.3066 0.2612 0.027 Uiso 1 1 d R . .
C11 C 0.4319(4) 0.4591(3) 0.28405(11) 0.0200(8) Uani 1 1 d . . .
H11A H 0.4197 0.4730 0.2552 0.026 Uiso 1 1 d R . .
H11B H 0.5041 0.5028 0.2940 0.026 Uiso 1 1 d R . .
C12 C 0.3055(4) 0.4833(3) 0.30679(12) 0.0202(8) Uani 1 1 d . . .
H12A H 0.2829 0.5555 0.3025 0.026 Uiso 1 1 d R . .
H12B H 0.2331 0.4419 0.2956 0.026 Uiso 1 1 d R . .
C13 C 0.3891(3) 0.5476(3) 0.36963(13) 0.0175(7) Uani 1 1 d . . .
H13A H 0.3627 0.5533 0.3981 0.023 Uiso 1 1 d R . .
H13B H 0.3656 0.6119 0.3561 0.023 Uiso 1 1 d R . .
C14 C 0.5384(4) 0.5323(3) 0.36723(11) 0.0171(6) Uani 1 1 d . . .
C15 C 0.7593(4) 0.6076(3) 0.37420(12) 0.0212(8) Uani 1 1 d . . .
H15 H 0.7767 0.5488 0.3923 0.028 Uiso 1 1 d R . .
C16 C 0.8019(4) 0.7033(4) 0.39600(12) 0.0296(9) Uani 1 1 d . . .
H16A H 0.7736 0.7632 0.3809 0.044 Uiso 1 1 d R . .
H16B H 0.8980 0.7034 0.3984 0.044 Uiso 1 1 d R . .
H16C H 0.7624 0.7049 0.4227 0.044 Uiso 1 1 d R . .
C17 C 0.1796(4) 0.2637(3) 0.42322(11) 0.0195(8) Uani 1 1 d . . .
H17A H 0.1944 0.1940 0.4332 0.025 Uiso 1 1 d R . .
H17B H 0.0873 0.2827 0.4291 0.025 Uiso 1 1 d R . .
C18 C 0.2716(4) 0.3371(3) 0.44426(11) 0.0176(8) Uani 1 1 d . . .
C19 C 0.3223(4) 0.4465(3) 0.50151(12) 0.0208(9) Uani 1 1 d . . .
H19 H 0.4132 0.4174 0.5020 0.027 Uiso 1 1 d R . .
C20 C 0.2740(5) 0.4556(4) 0.54422(13) 0.0337(11) Uani 1 1 d . . .
H20A H 0.1855 0.4851 0.5441 0.051 Uiso 1 1 d R . .
H20B H 0.3337 0.4994 0.5594 0.051 Uiso 1 1 d R . .
H20C H 0.2711 0.3883 0.5567 0.051 Uiso 1 1 d R . .
C21 C 0.8317(4) 0.5881(3) 0.33492(12) 0.0216(8) Uani 1 1 d . . .
C22 C 0.8887(4) 0.6659(3) 0.31243(13) 0.0277(9) Uani 1 1 d . . .
H22 H 0.8806 0.7340 0.3213 0.033 Uiso 1 1 d R . .
C23 C 0.9564(5) 0.6448(4) 0.27764(12) 0.0326(10) Uani 1 1 d . . .
H23 H 0.9942 0.6991 0.2629 0.039 Uiso 1 1 d R . .
C24 C 0.9687(4) 0.5465(4) 0.26361(12) 0.0320(10) Uani 1 1 d . . .
H24 H 1.0178 0.5324 0.2400 0.038 Uiso 1 1 d R . .
C25 C 0.9102(4) 0.4691(4) 0.28503(14) 0.0300(10) Uani 1 1 d . . .
H25 H 0.9138 0.4015 0.2753 0.036 Uiso 1 1 d R . .
C26 C 0.8442(4) 0.4894(3) 0.32042(13) 0.0245(9) Uani 1 1 d . . .
H26 H 0.8065 0.4350 0.3351 0.029 Uiso 1 1 d R . .
C27 C 0.7728(4) 0.0435(3) 0.33537(12) 0.0248(9) Uani 1 1 d . . .
C28 C 0.3343(4) -0.0214(3) 0.49171(13) 0.0274(10) Uani 1 1 d . . .
C29 C 0.2367(5) -0.1766(3) 0.32298(13) 0.0293(10) Uani 1 1 d . . .
C31 C 0.3276(4) 0.5495(3) 0.48053(12) 0.0215(9) Uani 1 1 d . . .
C32 C 0.4460(5) 0.6015(3) 0.47805(12) 0.0296(9) Uani 1 1 d . . .
H32 H 0.5237 0.5719 0.4887 0.036 Uiso 1 1 d R . .
C33 C 0.4515(6) 0.6960(4) 0.46001(12) 0.0379(10) Uani 1 1 d . . .
H33 H 0.5329 0.7315 0.4587 0.045 Uiso 1 1 d R . .
C34 C 0.3388(5) 0.7392(3) 0.44398(13) 0.0344(11) Uani 1 1 d . . .
H34 H 0.3430 0.8034 0.4312 0.041 Uiso 1 1 d R . .
C35 C 0.2202(5) 0.6884(3) 0.44691(13) 0.0331(10) Uani 1 1 d . . .
H35 H 0.1429 0.7182 0.4360 0.040 Uiso 1 1 d R . .
C36 C 0.2138(4) 0.5940(3) 0.46524(12) 0.0258(9) Uani 1 1 d . . .
H36 H 0.1316 0.5601 0.4676 0.031 Uiso 1 1 d R . .
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
O1 Eu O2 82.10(9) . . ?
O1 Eu O5 71.71(9) . . ?
O2 Eu O5 69.79(9) . . ?
O1 Eu O4 86.74(10) . . ?
O2 Eu O4 143.71(9) . . ?
O5 Eu O4 73.92(8) . . ?
O1 Eu O3 139.99(9) . . ?
O2 Eu O3 82.49(9) . . ?
O5 Eu O3 68.33(9) . . ?
O4 Eu O3 84.29(10) . . ?
O1 Eu N7 140.61(10) . . ?
O2 Eu N7 132.63(9) . . ?
O5 Eu N7 131.08(9) . . ?
O4 Eu N7 73.79(9) . . ?
O3 Eu N7 72.78(9) . . ?
O1 Eu N4 129.96(8) . . ?
O2 Eu N4 65.73(9) . . ?
O5 Eu N4 124.53(9) . . ?
O4 Eu N4 141.09(10) . . ?
O3 Eu N4 74.50(9) . . ?
N7 Eu N4 68.96(9) . . ?
O1 Eu N10 75.12(10) . . ?
O2 Eu N10 138.13(9) . . ?
O5 Eu N10 131.57(10) . . ?
O4 Eu N10 69.90(9) . . ?
O3 Eu N10 135.97(9) . . ?
N7 Eu N10 66.16(10) . . ?
N4 Eu N10 103.79(10) . . ?
O1 Eu N1 65.91(9) . . ?
O2 Eu N1 72.39(9) . . ?
O5 Eu N1 125.86(9) . . ?
O4 Eu N1 132.79(10) . . ?
O3 Eu N1 141.07(9) . . ?
N7 Eu N1 103.04(10) . . ?
N4 Eu N1 68.27(9) . . ?
N10 Eu N1 66.34(9) . . ?
O7 S1 O6 115.99(17) . . ?
O7 S1 O4 114.66(17) . . ?
O6 S1 O4 113.04(15) . . ?
O7 S1 C27 104.4(2) . . ?
O6 S1 C27 104.37(19) . . ?
O4 S1 C27 102.32(19) . . ?
O10 S2 O9 116.07(19) . . ?
O10 S2 O8 114.31(19) . . ?
O9 S2 O8 114.7(2) . . ?
O10 S2 C28 104.6(2) . . ?
O9 S2 C28 102.1(2) . . ?
O8 S2 C28 102.63(19) . . ?
O11 S3 O13 115.37(18) . . ?
O11 S3 O12 115.45(18) . . ?
O13 S3 O12 114.41(18) . . ?
O11 S3 C29 102.76(19) . . ?
O13 S3 C29 102.8(2) . . ?
O12 S3 C29 103.55(19) . . ?
C14 O1 Eu 125.6(2) . . ?
C18 O2 Eu 124.4(2) . . ?
S1 O4 Eu 145.76(16) . . ?
C13 N1 C2 110.5(3) . . ?
C13 N1 C12 109.0(3) . . ?
C2 N1 C12 109.5(3) . . ?
C13 N1 Eu 106.1(2) . . ?
C2 N1 Eu 110.1(2) . . ?
C12 N1 Eu 111.7(2) . . ?
C5 N4 C17 108.6(3) . . ?
C5 N4 C3 109.7(3) . . ?
C17 N4 C3 109.8(3) . . ?
C5 N4 Eu 108.9(2) . . ?
C17 N4 Eu 108.5(2) . . ?
C3 N4 Eu 111.3(2) . . ?
C8 N7 C6 111.1(3) . . ?
C8 N7 Eu 114.7(2) . . ?
C6 N7 Eu 113.8(2) . . ?
C11 N10 C9 111.1(3) . . ?
C11 N10 Eu 113.4(2) . . ?
C9 N10 Eu 114.6(2) . . ?
C14 N14 C15 122.5(3) . . ?
C18 N18 C19 121.9(3) . . ?
N1 C2 C3 112.0(3) . . ?
N4 C3 C2 113.1(3) . . ?
N4 C5 C6 112.1(3) . . ?
N7 C6 C5 111.2(3) . . ?
N7 C8 C9 110.2(3) . . ?
N10 C9 C8 110.3(3) . . ?
N10 C11 C12 109.3(3) . . ?
N1 C12 C11 113.2(3) . . ?
N1 C13 C14 112.2(3) . . ?
O1 C14 N14 123.3(3) . . ?
O1 C14 C13 118.9(3) . . ?
N14 C14 C13 117.7(3) . . ?
N14 C15 C16 107.8(3) . . ?
N14 C15 C21 111.6(3) . . ?
C16 C15 C21 114.5(3) . . ?
N4 C17 C18 110.3(3) . . ?
O2 C18 N18 121.6(4) . . ?
O2 C18 C17 119.4(3) . . ?
N18 C18 C17 118.9(3) . . ?
N18 C19 C20 110.0(3) . . ?
N18 C19 C31 109.9(3) . . ?
C20 C19 C31 111.9(3) . . ?
C26 C21 C22 117.5(4) . . ?
C26 C21 C15 120.0(4) . . ?
C22 C21 C15 122.5(4) . . ?
C23 C22 C21 120.8(4) . . ?
C22 C23 C24 121.2(4) . . ?
C25 C24 C23 118.6(4) . . ?
C24 C25 C26 120.5(4) . . ?
C25 C26 C21 121.4(4) . . ?
F3 C27 F2 108.9(3) . . ?
F3 C27 F1 107.6(3) . . ?
F2 C27 F1 108.3(3) . . ?
F3 C27 S1 111.1(3) . . ?
F2 C27 S1 111.6(3) . . ?
F1 C27 S1 109.3(3) . . ?
F6 C28 F4 108.1(4) . . ?
F6 C28 F5 107.9(4) . . ?
F4 C28 F5 107.3(4) . . ?
F6 C28 S2 111.8(3) . . ?
F4 C28 S2 111.4(3) . . ?
F5 C28 S2 110.2(3) . . ?
F8 C29 F9 108.4(4) . . ?
F8 C29 F7 107.8(4) . . ?
F9 C29 F7 108.0(3) . . ?
F8 C29 S3 111.5(3) . . ?
F9 C29 S3 109.9(3) . . ?
F7 C29 S3 111.2(3) . . ?
C32 C31 C36 119.3(4) . . ?
C32 C31 C19 119.8(4) . . ?
C36 C31 C19 120.9(4) . . ?
C31 C32 C33 120.4(5) . . ?
C34 C33 C32 120.2(5) . . ?
C35 C34 C33 119.6(4) . . ?
C34 C35 C36 120.5(4) . . ?
C35 C36 C31 120.0(4) . . ?
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
Eu O1 2.377(2) . ?
Eu O2 2.381(3) . ?
Eu O5 2.437(3) . ?
Eu O4 2.459(3) . ?
Eu O3 2.460(3) . ?
Eu N7 2.580(3) . ?
Eu N4 2.634(3) . ?
Eu N10 2.655(3) . ?
Eu N1 2.707(3) . ?
S1 O7 1.437(3) . ?
S1 O6 1.450(3) . ?
S1 O4 1.471(3) . ?
S1 C27 1.839(4) . ?
S2 O10 1.447(3) . ?
S2 O9 1.449(3) . ?
S2 O8 1.449(3) . ?
S2 C28 1.830(4) . ?
S3 O11 1.443(3) . ?
S3 O13 1.444(3) . ?
S3 O12 1.446(3) . ?
S3 C29 1.842(5) . ?
F1 C27 1.348(5) . ?
F2 C27 1.325(5) . ?
F3 C27 1.320(5) . ?
F4 C28 1.330(5) . ?
F5 C28 1.337(5) . ?
F6 C28 1.324(5) . ?
F7 C29 1.337(5) . ?
F8 C29 1.327(5) . ?
F9 C29 1.327(5) . ?
O1 C14 1.251(4) . ?
O2 C18 1.259(5) . ?
N1 C13 1.480(5) . ?
N1 C2 1.487(5) . ?
N1 C12 1.489(5) . ?
N4 C5 1.483(5) . ?
N4 C17 1.484(5) . ?
N4 C3 1.499(5) . ?
N7 C8 1.482(5) . ?
N7 C6 1.496(5) . ?
N10 C11 1.478(5) . ?
N10 C9 1.487(5) . ?
N14 C14 1.309(5) . ?
N14 C15 1.501(4) . ?
N18 C18 1.308(5) . ?
N18 C19 1.493(5) . ?
C2 C3 1.520(5) . ?
C5 C6 1.531(6) . ?
C8 C9 1.524(6) . ?
C11 C12 1.526(5) . ?
C13 C14 1.531(5) . ?
C15 C16 1.520(6) . ?
C15 C21 1.526(6) . ?
C17 C18 1.517(5) . ?
C19 C20 1.513(6) . ?
C19 C31 1.530(6) . ?
C21 C26 1.395(6) . ?
C21 C22 1.397(6) . ?
C22 C23 1.379(6) . ?
C23 C24 1.385(7) . ?
C24 C25 1.381(7) . ?
C25 C26 1.385(6) . ?
C31 C32 1.387(6) . ?
C31 C36 1.394(6) . ?
C32 C33 1.387(6) . ?
C33 C34 1.386(8) . ?
C34 C35 1.382(7) . ?
C35 C36 1.389(6) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H032 O8 0.84 2.04 2.873(4) 170.3 .
O3 H031 O12 0.84 1.97 2.779(4) 162.4 .
O5 H051 O6 0.84 1.96 2.740(3) 154.8 .
O5 H052 O9 0.84 1.95 2.771(4) 166.5 4_556
N7 H7 O13 0.91 2.32 3.049(4) 136.4 .
N14 H14 O11 0.88 2.03 2.899(4) 168.7 1_565
N18 H18 O8 0.88 2.24 3.092(5) 163.0 4_456
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
C12 N1 C2 C3 80.8(4) . . . . ?
N1 C2 C3 N4 59.8(4) . . . . ?
C2 C3 N4 C5 -163.7(3) . . . . ?
C3 N4 C5 C6 73.6(4) . . . . ?
N4 C5 C6 N7 57.9(4) . . . . ?
C5 C6 N7 C8 -166.7(3) . . . . ?
C6 N7 C8 C9 83.0(4) . . . . ?
N7 C8 C9 N10 55.1(4) . . . . ?
C8 C9 N10 C11 -166.3(3) . . . . ?
C9 N10 C11 C12 83.0(4) . . . . ?
N10 C11 C12 N1 59.0(4) . . . . ?
C11 C12 N1 C2 -161.1(3) . . . . ?
