#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/06/7220695.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_7220695
loop_
_publ_author_name
'Liu, Zhaodi'
'Hao, Fuying'
'Xu, Huajie'
'Wang, Hui'
'Wu, Jieying'
'Tian, Yupeng'
_publ_section_title
;
 A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon
 absorption properties and application to biological imaging
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5562
_journal_paper_doi               10.1039/C5CE00816F
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C94 H70 Eu2 F24 N2 O18 S8'
_chemical_formula_weight         2531.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-11-10 deposited with the CCDC.
2015-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                104.2860(10)
_cell_angle_beta                 99.4370(10)
_cell_angle_gamma                102.3000(10)
_cell_formula_units_Z            1
_cell_length_a                   10.1025(2)
_cell_length_b                   12.9530(3)
_cell_length_c                   21.3753(4)
_cell_measurement_reflns_used    6801
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      2.55
_cell_volume                     2578.22(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            19034
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.475
_exptl_absorpt_correction_T_max  0.8665
_exptl_absorpt_correction_T_min  0.8665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1262
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.832
_refine_diff_density_min         -1.851
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         10066
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0999P)²+4.3523P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
_refine_ls_wR_factor_ref         0.1650
_reflns_number_gt                8271
_reflns_number_total             10066
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00816f2.cif
_cod_data_source_block           liu
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7220694--7220695.cif.
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7220695
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.6801(10) 1.2144(7) 0.2913(5) 0.077(2) Uani 1 1 d .
H1A H 0.6206 1.2042 0.3212 0.115 Uiso 1 1 calc R
H1B H 0.6527 1.2630 0.2675 0.115 Uiso 1 1 calc R
H1C H 0.7747 1.2460 0.3161 0.115 Uiso 1 1 calc R
C2 C 0.7716(7) 1.0920(6) 0.2131(4) 0.0547(17) Uani 1 1 d .
H2 H 0.8497 1.1508 0.2214 0.066 Uiso 1 1 calc R
C3 C 0.7636(7) 0.9933(6) 0.1702(4) 0.0531(16) Uani 1 1 d .
H3 H 0.8375 0.9847 0.1504 0.064 Uiso 1 1 calc R
C4 C 0.6474(7) 0.9048(6) 0.1554(3) 0.0474(15) Uani 1 1 d .
C5 C 0.5406(7) 0.9233(6) 0.1878(4) 0.0518(16) Uani 1 1 d .
H5 H 0.4611 0.8660 0.1799 0.062 Uiso 1 1 calc R
C6 C 0.5518(7) 1.0236(6) 0.2304(3) 0.0492(15) Uani 1 1 d .
H6 H 0.4789 1.0352 0.2503 0.059 Uiso 1 1 calc R
C7 C 0.6376(8) 0.7997(6) 0.1079(4) 0.0552(17) Uani 1 1 d .
H7 H 0.7131 0.7941 0.0888 0.066 Uiso 1 1 calc R
C8 C 0.5319(8) 0.7132(6) 0.0900(4) 0.0551(17) Uani 1 1 d .
H8 H 0.4565 0.7204 0.1090 0.066 Uiso 1 1 calc R
C9 C 0.5186(8) 0.6058(6) 0.0434(4) 0.0555(17) Uani 1 1 d .
C10 C 0.6138(8) 0.5845(6) 0.0067(4) 0.0569(17) Uani 1 1 d .
H10 H 0.6913 0.6415 0.0109 0.068 Uiso 1 1 calc R
C11 C 0.5996(8) 0.4816(6) -0.0365(4) 0.0562(17) Uani 1 1 d .
C12 C 0.8144(10) 0.5357(7) -0.0683(5) 0.081(3) Uani 1 1 d .
H12A H 0.8613 0.5743 -0.0224 0.097 Uiso 1 1 calc R
H12B H 0.7897 0.5892 -0.0896 0.097 Uiso 1 1 calc R
C13 C 0.9083(9) 0.4793(7) -0.1031(5) 0.077(2) Uani 1 1 d .
H13A H 0.8604 0.4421 -0.1490 0.093 Uiso 1 1 calc R
H13B H 0.9284 0.4237 -0.0826 0.093 Uiso 1 1 calc R
C14 C 1.0444(13) 0.5593(9) -0.1008(7) 0.115(4) Uani 1 1 d .
H14A H 1.0243 0.6091 -0.1262 0.138 Uiso 1 1 calc R
H14B H 1.0855 0.6035 -0.0552 0.138 Uiso 1 1 calc R
C15 C 1.1461(12) 0.5062(11) -0.1267(7) 0.121(4) Uani 1 1 d .
H15A H 1.1527 0.4462 -0.1086 0.181 Uiso 1 1 calc R
H15B H 1.2353 0.5592 -0.1145 0.181 Uiso 1 1 calc R
H15C H 1.1172 0.4784 -0.1742 0.181 Uiso 1 1 calc R
C16 C -0.1826(9) 0.1214(9) -0.0649(4) 0.081(3) Uani 1 1 d .
H16 H -0.2227 0.1101 -0.1093 0.097 Uiso 1 1 calc R
C17 C -0.2570(9) 0.1301(8) -0.0180(4) 0.072(2) Uani 1 1 d .
H17 H -0.3510 0.1274 -0.0282 0.086 Uiso 1 1 calc R
C18 C -0.1815(6) 0.1447(5) 0.0524(3) 0.0391(13) Uani 1 1 d .
H18 H -0.2144 0.1506 0.0909 0.047 Uiso 1 1 calc R
C19 C -0.0329(7) 0.1467(5) 0.0411(3) 0.0436(14) Uani 1 1 d .
C20 C 0.0849(6) 0.1617(5) 0.0960(3) 0.0401(13) Uani 1 1 d .
C21 C 0.2201(7) 0.1717(6) 0.0830(3) 0.0501(16) Uani 1 1 d .
H21 H 0.2314 0.1781 0.0417 0.060 Uiso 1 1 calc R
C22 C 0.3341(6) 0.1725(5) 0.1274(3) 0.0437(14) Uani 1 1 d .
C23 C 0.4712(8) 0.1823(7) 0.1032(4) 0.0602(19) Uani 1 1 d .
C24 C 0.6554(11) 0.6523(11) 0.2477(7) 0.112(4) Uani 1 1 d .
H24 H 0.7423 0.6702 0.2379 0.135 Uiso 1 1 calc R
C25 C 0.6006(12) 0.7272(9) 0.2778(7) 0.106(4) Uani 1 1 d .
H25 H 0.6460 0.8020 0.2896 0.128 Uiso 1 1 calc R
C26 C 0.4625(6) 0.6888(5) 0.2926(4) 0.0459(15) Uani 1 1 d .
H26 H 0.4081 0.7296 0.3133 0.055 Uiso 1 1 calc R
C27 C 0.4344(8) 0.5604(6) 0.2636(4) 0.0586(18) Uani 1 1 d .
C28 C 0.3160(7) 0.4754(6) 0.2647(4) 0.0510(16) Uani 1 1 d .
C29 C 0.2022(8) 0.5067(6) 0.2881(4) 0.0593(18) Uani 1 1 d .
H29 H 0.2089 0.5817 0.3037 0.071 Uiso 1 1 calc R
C30 C 0.0847(7) 0.4344(6) 0.2893(4) 0.0501(15) Uani 1 1 d .
C31 C -0.0263(10) 0.4801(7) 0.3171(5) 0.073(2) Uani 1 1 d .
C35 C 0.3270(8) 0.4107(8) 0.4853(4) 0.072(2) Uani 1 1 d D
C36 C 0.3284(8) 0.3202(8) 0.4254(4) 0.066(2) Uani 1 1 d .
C37 C 0.3681(9) 0.2250(9) 0.4345(4) 0.076(2) Uani 1 1 d .
H37 H 0.3837 0.2166 0.4768 0.091 Uiso 1 1 calc R
C38 C 0.3837(8) 0.1469(8) 0.3840(4) 0.068(2) Uani 1 1 d .
C39 C 0.4415(12) 0.0541(12) 0.4003(6) 0.095(3) Uani 1 1 d .
C40 C -0.1169(14) 0.1721(15) 0.5049(5) 0.127(5) Uani 1 1 d .
H40 H -0.1310 0.2186 0.5425 0.152 Uiso 1 1 calc R
C41 C -0.1572(16) 0.0637(14) 0.4883(8) 0.129(5) Uani 1 1 d U
H41 H -0.2038 0.0292 0.5148 0.155 Uiso 1 1 calc R
C42 C -0.1307(7) 0.0006(8) 0.4319(4) 0.061(2) Uani 1 1 d .
H42 H -0.1547 -0.0759 0.4143 0.073 Uiso 1 1 calc R
C43 C -0.0514(8) 0.0896(8) 0.4060(4) 0.068(2) Uani 1 1 d .
C44 C 0.0068(7) 0.0699(7) 0.3463(4) 0.0587(19) Uani 1 1 d .
C45 C 0.0176(9) -0.0357(7) 0.3140(4) 0.066(2) Uani 1 1 d .
H45 H -0.0106 -0.0933 0.3316 0.080 Uiso 1 1 calc R
C46 C 0.0680(8) -0.0576(6) 0.2574(4) 0.0598(18) Uani 1 1 d .
C47 C 0.0743(12) -0.1743(8) 0.2268(6) 0.084(3) Uani 1 1 d .
Eu01 Eu 0.20128(3) 0.20747(3) 0.260526(14) 0.03824(12) Uani 1 1 d .
F1 F 0.4659(6) 0.2026(8) 0.0474(4) 0.144(3) Uani 1 1 d .
F2 F 0.5135(5) 0.0926(5) 0.0994(3) 0.0913(16) Uani 1 1 d .
F3 F 0.5741(6) 0.2593(6) 0.1478(4) 0.128(3) Uani 1 1 d .
F4 F -0.1487(6) 0.4435(6) 0.2751(4) 0.113(2) Uani 1 1 d .
F5 F 0.0028(8) 0.5887(5) 0.3356(5) 0.144(3) Uani 1 1 d .
F6 F -0.0492(7) 0.4467(5) 0.3687(3) 0.1023(18) Uani 1 1 d .
F7 F 0.3593(11) -0.0431(8) 0.3693(7) 0.191(5) Uani 1 1 d .
F8 F 0.5596(8) 0.0515(8) 0.3802(4) 0.141(3) Uani 1 1 d .
F9 F 0.4702(10) 0.0613(9) 0.4624(4) 0.164(4) Uani 1 1 d .
F10 F -0.0156(9) -0.2201(5) 0.1677(4) 0.123(2) Uani 1 1 d .
F11 F 0.1981(8) -0.1788(5) 0.2153(4) 0.116(2) Uani 1 1 d .
F12 F 0.0480(9) -0.2418(5) 0.2634(4) 0.129(3) Uani 1 1 d .
N1 N 0.6682(6) 1.1058(5) 0.2437(3) 0.0497(13) Uani 1 1 d .
O1 O 0.6936(6) 0.4544(5) -0.0715(3) 0.0766(17) Uani 1 1 d .
O2 O 0.0587(4) 0.1629(4) 0.1515(2) 0.0450(10) Uani 1 1 d .
O3 O 0.3456(4) 0.1643(4) 0.1850(2) 0.0454(10) Uani 1 1 d .
O4 O 0.0526(4) 0.3292(4) 0.2704(2) 0.0481(10) Uani 1 1 d .
O5 O 0.3206(5) 0.3764(4) 0.2441(2) 0.0533(11) Uani 1 1 d .
O6 O 0.2943(5) 0.3335(4) 0.3696(2) 0.0589(12) Uani 1 1 d .
O7 O 0.3589(5) 0.1365(4) 0.3218(2) 0.0586(12) Uani 1 1 d .
O8 O 0.0475(5) 0.1537(4) 0.3271(3) 0.0587(12) Uani 1 1 d .
O9 O 0.1084(5) 0.0078(4) 0.2252(2) 0.0583(12) Uani 1 1 d .
S1 S -0.0164(3) 0.1319(3) -0.03888(12) 0.0851(7) Uani 1 1 d .
S2 S 0.5605(3) 0.5244(3) 0.2284(2) 0.1173(11) Uani 1 1 d .
S4 S -0.0381(4) 0.2153(4) 0.45062(19) 0.1272(13) Uani 1 1 d .
C34 C 0.3738(7) 0.4051(6) 0.5605(3) 0.0478(14) Uani 1 1 d DU
H34 H 0.4033 0.3531 0.5785 0.057 Uiso 1 1 calc R
C33 C 0.3514(13) 0.5158(9) 0.5897(7) 0.108(3) Uani 1 1 d DU
H33 H 0.3679 0.5427 0.6356 0.129 Uiso 1 1 calc R
C32 C 0.3074(12) 0.5801(11) 0.5520(5) 0.121(5) Uani 1 1 d D
H32 H 0.2965 0.6500 0.5703 0.145 Uiso 1 1 calc R
S3 S 0.2764(5) 0.5211(4) 0.4722(2) 0.1472(14) Uani 1 1 d DU
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
N1 C1 H1A 109.5 . .
N1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
N1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 120.7(6) . .
N1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C2 C3 C4 121.2(6) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C3 C4 C5 116.3(6) . .
C3 C4 C7 121.1(6) . .
C5 C4 C7 122.7(6) . .
C6 C5 C4 121.1(6) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
N1 C6 C5 119.9(6) . .
N1 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C8 C7 C4 125.3(7) . .
C8 C7 H7 117.4 . .
C4 C7 H7 117.4 . .
C7 C8 C9 127.1(7) . .
C7 C8 H8 116.5 . .
C9 C8 H8 116.5 . .
C10 C9 C11 118.2(6) . 2_665
C10 C9 C8 123.9(7) . .
C11 C9 C8 117.9(6) 2_665 .
C9 C10 C11 122.8(7) . .
C9 C10 H10 118.6 . .
C11 C10 H10 118.6 . .
O1 C11 C10 125.3(7) . .
O1 C11 C9 115.6(6) . 2_665
C10 C11 C9 119.0(6) . 2_665
O1 C12 C13 108.1(7) . .
O1 C12 H12A 110.1 . .
C13 C12 H12A 110.1 . .
O1 C12 H12B 110.1 . .
C13 C12 H12B 110.1 . .
H12A C12 H12B 108.4 . .
C12 C13 C14 112.6(8) . .
C12 C13 H13A 109.1 . .
C14 C13 H13A 109.1 . .
C12 C13 H13B 109.1 . .
C14 C13 H13B 109.1 . .
H13A C13 H13B 107.8 . .
C15 C14 C13 114.3(9) . .
C15 C14 H14A 108.7 . .
C13 C14 H14A 108.7 . .
C15 C14 H14B 108.7 . .
C13 C14 H14B 108.7 . .
H14A C14 H14B 107.6 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 S1 115.8(6) . .
C17 C16 H16 122.1 . .
S1 C16 H16 122.1 . .
C16 C17 C18 117.4(7) . .
C16 C17 H17 121.3 . .
C18 C17 H17 121.3 . .
C17 C18 C19 99.3(5) . .
C17 C18 H18 130.3 . .
C19 C18 H18 130.3 . .
C20 C19 C18 121.7(5) . .
C20 C19 S1 122.8(5) . .
C18 C19 S1 115.5(4) . .
O2 C20 C21 124.1(6) . .
O2 C20 C19 117.3(5) . .
C21 C20 C19 118.6(5) . .
C22 C21 C20 124.0(6) . .
C22 C21 H21 118.0 . .
C20 C21 H21 118.0 . .
O3 C22 C21 130.1(6) . .
O3 C22 C23 113.8(6) . .
C21 C22 C23 116.1(6) . .
F1 C23 F2 108.1(7) . .
F1 C23 F3 108.4(8) . .
F2 C23 F3 102.9(7) . .
F1 C23 C22 115.0(6) . .
F2 C23 C22 111.1(6) . .
F3 C23 C22 110.6(6) . .
C25 C24 S2 115.3(9) . .
C25 C24 H24 122.4 . .
S2 C24 H24 122.4 . .
C24 C25 C26 117.7(9) . .
C24 C25 H25 121.1 . .
C26 C25 H25 121.2 . .
C25 C26 C27 100.6(7) . .
C25 C26 H26 129.7 . .
C27 C26 H26 129.7 . .
C28 C27 C26 127.5(6) . .
C28 C27 S2 119.7(6) . .
C26 C27 S2 112.8(5) . .
O5 C28 C29 123.7(6) . .
O5 C28 C27 117.0(6) . .
C29 C28 C27 119.3(7) . .
C30 C29 C28 124.4(7) . .
C30 C29 H29 117.8 . .
C28 C29 H29 117.8 . .
O4 C30 C29 128.7(6) . .
O4 C30 C31 112.9(6) . .
C29 C30 C31 118.4(7) . .
F5 C31 F4 106.9(8) . .
F5 C31 F6 107.5(8) . .
F4 C31 F6 103.8(8) . .
F5 C31 C30 114.2(7) . .
F4 C31 C30 112.8(8) . .
F6 C31 C30 111.0(7) . .
C36 C35 C34 122.3(7) . .
C36 C35 S3 117.8(6) . .
C34 C35 S3 119.9(6) . .
O6 C36 C37 123.0(8) . .
O6 C36 C35 117.6(8) . .
C37 C36 C35 119.4(7) . .
C38 C37 C36 122.2(7) . .
C38 C37 H37 118.9 . .
C36 C37 H37 118.9 . .
O7 C38 C37 130.0(8) . .
O7 C38 C39 112.1(8) . .
C37 C38 C39 117.9(8) . .
F9 C39 F7 107.7(11) . .
F9 C39 F8 105.7(9) . .
F7 C39 F8 103.9(12) . .
F9 C39 C38 114.8(11) . .
F7 C39 C38 112.7(9) . .
F8 C39 C38 111.4(8) . .
C41 C40 S4 111.6(10) . .
C41 C40 H40 124.2 . .
S4 C40 H40 124.2 . .
C40 C41 C42 120.5(14) . .
C40 C41 H41 119.8 . .
C42 C41 H41 119.8 . .
C41 C42 C43 101.7(10) . .
C41 C42 H42 129.2 . .
C43 C42 H42 129.2 . .
C44 C43 C42 126.0(8) . .
C44 C43 S4 120.9(7) . .
C42 C43 S4 113.1(6) . .
O8 C44 C45 122.5(7) . .
O8 C44 C43 115.9(8) . .
C45 C44 C43 121.6(7) . .
C46 C45 C44 123.2(7) . .
C46 C45 H45 118.4 . .
C44 C45 H45 118.4 . .
O9 C46 C45 128.2(7) . .
O9 C46 C47 113.3(7) . .
C45 C46 C47 118.5(7) . .
F11 C47 F12 105.0(9) . .
F11 C47 F10 105.6(9) . .
F12 C47 F10 107.3(9) . .
F11 C47 C46 112.6(8) . .
F12 C47 C46 114.6(9) . .
F10 C47 C46 111.2(8) . .
O7 Eu01 O8 85.23(17) . .
O7 Eu01 O3 78.60(15) . .
O8 Eu01 O3 150.81(17) . .
O7 Eu01 O2 139.66(16) . .
O8 Eu01 O2 105.64(16) . .
O3 Eu01 O2 73.58(14) . .
O7 Eu01 O6 70.77(18) . .
O8 Eu01 O6 73.67(18) . .
O3 Eu01 O6 122.06(17) . .
O2 Eu01 O6 149.48(17) . .
O7 Eu01 O4 143.86(16) . .
O8 Eu01 O4 72.44(16) . .
O3 Eu01 O4 132.54(15) . .
O2 Eu01 O4 75.08(15) . .
O6 Eu01 O4 75.78(17) . .
O7 Eu01 O5 110.70(18) . .
O8 Eu01 O5 137.17(17) . .
O3 Eu01 O5 71.82(15) . .
O2 Eu01 O5 87.74(16) . .
O6 Eu01 O5 74.87(18) . .
O4 Eu01 O5 72.21(15) . .
O7 Eu01 O9 73.37(18) . .
O8 Eu01 O9 69.88(17) . .
O3 Eu01 O9 82.20(16) . .
O2 Eu01 O9 74.40(16) . .
O6 Eu01 O9 130.13(17) . .
O4 Eu01 O9 121.78(17) . .
O5 Eu01 O9 151.85(16) . .
C2 N1 C6 120.8(6) . .
C2 N1 C1 119.8(6) . .
C6 N1 C1 119.4(6) . .
C11 O1 C12 120.0(6) . .
C20 O2 Eu01 133.4(4) . .
C22 O3 Eu01 128.1(4) . .
C30 O4 Eu01 129.3(4) . .
C28 O5 Eu01 133.1(4) . .
C36 O6 Eu01 133.0(6) . .
C38 O7 Eu01 128.2(5) . .
C44 O8 Eu01 137.2(5) . .
C46 O9 Eu01 130.6(5) . .
C16 S1 C19 91.9(4) . .
C24 S2 C27 93.6(6) . .
C43 S4 C40 93.1(7) . .
C33 C34 C35 92.3(7) . .
C33 C34 H34 133.9 . .
C35 C34 H34 133.9 . .
C32 C33 C34 123.5(11) . .
C32 C33 H33 118.2 . .
C34 C33 H33 118.2 . .
C33 C32 S3 113.2(10) . .
C33 C32 H32 123.4 . .
S3 C32 H32 123.4 . .
C32 S3 C35 91.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.486(9) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 N1 1.341(9) .
C2 C3 1.355(10) .
C2 H2 0.9300 .
C3 C4 1.384(10) .
C3 H3 0.9300 .
C4 C5 1.405(9) .
C4 C7 1.456(9) .
C5 C6 1.361(9) .
C5 H5 0.9300 .
C6 N1 1.344(9) .
C6 H6 0.9300 .
C7 C8 1.299(10) .
C7 H7 0.9300 .
C8 C9 1.463(9) .
C8 H8 0.9300 .
C9 C10 1.368(10) .
C9 C11 1.419(10) 2_665
C10 C11 1.384(9) .
C10 H10 0.9300 .
C11 O1 1.354(8) .
C11 C9 1.419(10) 2_665
C12 O1 1.412(10) .
C12 C13 1.498(12) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.521(13) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.461(14) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.346(12) .
C16 S1 1.646(9) .
C16 H16 0.9300 .
C17 C18 1.517(9) .
C17 H17 0.9300 .
C18 C19 1.555(8) .
C18 H18 0.9300 .
C19 C20 1.472(9) .
C19 S1 1.712(6) .
C20 O2 1.253(7) .
C20 C21 1.424(8) .
C21 C22 1.363(9) .
C21 H21 0.9300 .
C22 O3 1.252(7) .
C22 C23 1.547(9) .
C23 F1 1.280(9) .
C23 F2 1.309(9) .
C23 F3 1.322(10) .
C24 C25 1.303(16) .
C24 S2 1.641(12) .
C24 H24 0.9300 .
C25 C26 1.491(13) .
C25 H25 0.9300 .
C26 C27 1.570(10) .
C26 H26 0.9300 .
C27 C28 1.450(10) .
C27 S2 1.673(8) .
C28 O5 1.262(8) .
C28 C29 1.423(10) .
C29 C30 1.354(10) .
C29 H29 0.9300 .
C30 O4 1.274(8) .
C30 C31 1.513(10) .
C31 F5 1.316(10) .
C31 F4 1.317(11) .
C31 F6 1.318(10) .
C35 C36 1.512(12) .
C35 C34 1.622(9) .
C35 S3 1.688(10) .
C36 O6 1.249(8) .
C36 C37 1.422(13) .
C37 C38 1.340(12) .
C37 H37 0.9300 .
C38 O7 1.280(9) .
C38 C39 1.531(12) .
C39 F9 1.286(12) .
C39 F7 1.295(15) .
C39 F8 1.337(12) .
C40 C41 1.31(2) .
C40 S4 1.651(13) .
C40 H40 0.9300 .
C41 C42 1.381(17) .
C41 H41 0.9300 .
C42 C43 1.532(11) .
C42 H42 0.9300 .
C43 C44 1.477(10) .
C43 S4 1.637(10) .
C44 O8 1.267(9) .
C44 C45 1.408(11) .
C45 C46 1.376(11) .
C45 H45 0.9300 .
C46 O9 1.262(8) .
C46 C47 1.510(12) .
C47 F11 1.324(12) .
C47 F12 1.325(10) .
C47 F10 1.340(13) .
Eu01 O7 2.373(4) .
Eu01 O8 2.382(5) .
Eu01 O3 2.391(4) .
Eu01 O2 2.392(4) .
Eu01 O6 2.395(5) .
Eu01 O4 2.395(4) .
Eu01 O5 2.400(4) .
Eu01 O9 2.431(5) .
C34 C33 1.497(12) .
C34 H34 0.9300 .
C33 C32 1.383(14) .
C33 H33 0.9300 .
C32 S3 1.635(10) .
C32 H32 0.9300 .
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_4
N1 C2 C3 C4 1.8(11) . .
C2 C3 C4 C5 -0.8(10) . .
C2 C3 C4 C7 178.3(7) . .
C3 C4 C5 C6 1.0(10) . .
C7 C4 C5 C6 -178.1(7) . .
C4 C5 C6 N1 -2.2(11) . .
C3 C4 C7 C8 -178.7(7) . .
C5 C4 C7 C8 0.4(12) . .
C4 C7 C8 C9 -179.1(7) . .
C7 C8 C9 C10 -6.2(13) . .
C7 C8 C9 C11 173.0(8) . 2_665
C11 C9 C10 C11 -0.2(13) 2_665 .
C8 C9 C10 C11 179.1(7) . .
C9 C10 C11 O1 -176.6(8) . .
C9 C10 C11 C9 0.2(13) . 2_665
O1 C12 C13 C14 -178.2(10) . .
C12 C13 C14 C15 172.6(12) . .
S1 C16 C17 C18 -1.9(13) . .
C16 C17 C18 C19 1.5(10) . .
C17 C18 C19 C20 178.9(6) . .
C17 C18 C19 S1 -0.5(6) . .
C18 C19 C20 O2 6.2(9) . .
S1 C19 C20 O2 -174.5(5) . .
C18 C19 C20 C21 -174.9(6) . .
S1 C19 C20 C21 4.4(9) . .
O2 C20 C21 C22 7.0(11) . .
C19 C20 C21 C22 -171.8(6) . .
C20 C21 C22 O3 0.7(12) . .
C20 C21 C22 C23 179.0(6) . .
O3 C22 C23 F1 -172.9(8) . .
C21 C22 C23 F1 8.5(11) . .
O3 C22 C23 F2 63.9(9) . .
C21 C22 C23 F2 -114.7(8) . .
O3 C22 C23 F3 -49.7(9) . .
C21 C22 C23 F3 131.7(8) . .
S2 C24 C25 C26 1.7(17) . .
C24 C25 C26 C27 0.2(14) . .
C25 C26 C27 C28 178.0(8) . .
C25 C26 C27 S2 -2.0(8) . .
C26 C27 C28 O5 -173.4(7) . .
S2 C27 C28 O5 6.6(10) . .
C26 C27 C28 C29 6.8(11) . .
S2 C27 C28 C29 -173.2(6) . .
O5 C28 C29 C30 -2.0(12) . .
C27 C28 C29 C30 177.8(7) . .
C28 C29 C30 O4 -0.5(13) . .
C28 C29 C30 C31 178.7(8) . .
O4 C30 C31 F5 -178.5(8) . .
C29 C30 C31 F5 2.2(13) . .
O4 C30 C31 F4 -56.2(9) . .
C29 C30 C31 F4 124.5(8) . .
O4 C30 C31 F6 59.8(10) . .
C29 C30 C31 F6 -119.5(8) . .
C34 C35 C36 O6 -178.0(7) . .
S3 C35 C36 O6 1.3(10) . .
C34 C35 C36 C37 1.8(11) . .
S3 C35 C36 C37 -178.9(7) . .
O6 C36 C37 C38 6.1(14) . .
C35 C36 C37 C38 -173.7(8) . .
C36 C37 C38 O7 -5.4(16) . .
C36 C37 C38 C39 173.7(9) . .
O7 C38 C39 F9 179.0(10) . .
C37 C38 C39 F9 -0.2(15) . .
O7 C38 C39 F7 -57.3(12) . .
C37 C38 C39 F7 123.4(12) . .
O7 C38 C39 F8 59.0(13) . .
C37 C38 C39 F8 -120.3(11) . .
S4 C40 C41 C42 0.7(19) . .
C40 C41 C42 C43 1.3(16) . .
C41 C42 C43 C44 178.6(9) . .
C41 C42 C43 S4 -2.8(10) . .
C42 C43 C44 O8 168.4(7) . .
S4 C43 C44 O8 -10.1(10) . .
C42 C43 C44 C45 -12.5(12) . .
S4 C43 C44 C45 169.0(6) . .
O8 C44 C45 C46 -2.6(13) . .
C43 C44 C45 C46 178.4(8) . .
C44 C45 C46 O9 -1.7(14) . .
C44 C45 C46 C47 -179.7(8) . .
O9 C46 C47 F11 52.6(11) . .
C45 C46 C47 F11 -129.1(9) . .
O9 C46 C47 F12 172.5(9) . .
C45 C46 C47 F12 -9.1(14) . .
O9 C46 C47 F10 -65.6(10) . .
C45 C46 C47 F10 112.7(9) . .
C3 C2 N1 C6 -2.9(11) . .
C3 C2 N1 C1 179.1(7) . .
C5 C6 N1 C2 3.1(10) . .
C5 C6 N1 C1 -178.9(7) . .
C10 C11 O1 C12 -3.6(13) . .
C9 C11 O1 C12 179.6(8) 2_665 .
C13 C12 O1 C11 171.5(8) . .
C21 C20 O2 Eu01 11.0(9) . .
C19 C20 O2 Eu01 -170.2(4) . .
O7 Eu01 O2 C20 -69.5(6) . .
O8 Eu01 O2 C20 -170.8(5) . .
O3 Eu01 O2 C20 -21.2(5) . .
O6 Eu01 O2 C20 104.9(6) . .
O4 Eu01 O2 C20 122.7(6) . .
O5 Eu01 O2 C20 50.5(5) . .
O9 Eu01 O2 C20 -107.5(6) . .
C21 C22 O3 Eu01 -24.4(10) . .
C23 C22 O3 Eu01 157.3(5) . .
O7 Eu01 O3 C22 176.8(6) . .
O8 Eu01 O3 C22 119.1(6) . .
O2 Eu01 O3 C22 26.3(5) . .
O6 Eu01 O3 C22 -124.7(5) . .
O4 Eu01 O3 C22 -24.3(6) . .
O5 Eu01 O3 C22 -66.7(5) . .
O9 Eu01 O3 C22 102.3(5) . .
C29 C30 O4 Eu01 24.3(11) . .
C31 C30 O4 Eu01 -154.9(5) . .
O7 Eu01 O4 C30 72.3(6) . .
O8 Eu01 O4 C30 126.8(6) . .
O3 Eu01 O4 C30 -71.0(6) . .
O2 Eu01 O4 C30 -121.1(6) . .
O6 Eu01 O4 C30 49.7(5) . .
O5 Eu01 O4 C30 -28.6(5) . .
O9 Eu01 O4 C30 178.4(5) . .
C29 C28 O5 Eu01 -20.8(11) . .
C27 C28 O5 Eu01 159.4(5) . .
O7 Eu01 O5 C28 -113.5(6) . .
O8 Eu01 O5 C28 -7.4(7) . .
O3 Eu01 O5 C28 176.8(7) . .
O2 Eu01 O5 C28 103.3(6) . .
O6 Eu01 O5 C28 -51.3(6) . .
O4 Eu01 O5 C28 28.3(6) . .
O9 Eu01 O5 C28 153.2(6) . .
C37 C36 O6 Eu01 24.9(12) . .
C35 C36 O6 Eu01 -155.3(5) . .
O7 Eu01 O6 C36 -35.4(7) . .
O8 Eu01 O6 C36 55.2(7) . .
O3 Eu01 O6 C36 -97.6(7) . .
O2 Eu01 O6 C36 148.4(6) . .
O4 Eu01 O6 C36 130.7(7) . .
O5 Eu01 O6 C36 -154.2(7) . .
O9 Eu01 O6 C36 10.9(8) . .
C37 C38 O7 Eu01 -24.7(13) . .
C39 C38 O7 Eu01 156.1(6) . .
O8 Eu01 O7 C38 -41.2(7) . .
O3 Eu01 O7 C38 163.2(7) . .
O2 Eu01 O7 C38 -149.9(6) . .
O6 Eu01 O7 C38 33.1(7) . .
O4 Eu01 O7 C38 9.9(8) . .
O5 Eu01 O7 C38 97.8(7) . .
O9 Eu01 O7 C38 -111.6(7) . .
C45 C44 O8 Eu01 -20.1(12) . .
C43 C44 O8 Eu01 159.0(5) . .
O7 Eu01 O8 C44 -46.0(7) . .
O3 Eu01 O8 C44 10.2(9) . .
O2 Eu01 O8 C44 94.4(7) . .
O6 Eu01 O8 C44 -117.4(7) . .
O4 Eu01 O8 C44 162.8(8) . .
O5 Eu01 O8 C44 -161.6(7) . .
O9 Eu01 O8 C44 28.0(7) . .
C45 C46 O9 Eu01 25.8(12) . .
C47 C46 O9 Eu01 -156.0(6) . .
O7 Eu01 O9 C46 62.1(6) . .
O8 Eu01 O9 C46 -28.9(6) . .
O3 Eu01 O9 C46 142.5(7) . .
O2 Eu01 O9 C46 -142.5(7) . .
O6 Eu01 O9 C46 16.7(7) . .
O4 Eu01 O9 C46 -81.6(7) . .
O5 Eu01 O9 C46 165.0(6) . .
C17 C16 S1 C19 1.3(9) . .
C20 C19 S1 C16 -179.7(6) . .
C18 C19 S1 C16 -0.4(6) . .
C25 C24 S2 C27 -2.5(12) . .
C28 C27 S2 C24 -177.4(8) . .
C26 C27 S2 C24 2.6(7) . .
C44 C43 S4 C40 -178.4(7) . .
C42 C43 S4 C40 2.9(7) . .
C41 C40 S4 C43 -2.1(12) . .
C36 C35 C34 C33 178.2(8) . .
S3 C35 C34 C33 -1.1(8) . .
C35 C34 C33 C32 -0.7(13) . .
C34 C33 C32 S3 2.3(17) . .
C33 C32 S3 C35 -2.3(11) . .
C36 C35 S3 C32 -177.3(7) . .
C34 C35 S3 C32 2.0(8) . .
