#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:52:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179267 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318729.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_4318729
loop_
_publ_author_name
'Christophe Lescop'
'Dominique Luneau'
'Paul Rey'
'Guillaume Bussière'
'Christian Reber'
_publ_contact_author
;
       Dominique LUNEAU
       Laboratoire de Chimie Inorganique et Biologique (UMR 5046)
       DRFMC
       CEA-Grenoble
       38054 Grenoble, France
;
_publ_contact_author_email       luneau@drfmc.ceng.cea.fr
_publ_contact_author_fax         '33 438 785 090'
_publ_contact_author_phone       '33 438 784 462'
_publ_section_title
;
 Synthesis, Structures, and Magnetic and Optical Properties of a Series of
 Europium(III) and Gadolinium(III) Complexes with Chelating Nitronyl and
 Imino Nitroxide Free Radicals
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5566
_journal_page_last               5574
_journal_paper_doi               10.1021/ic0257928
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C29 H20 Eu F18 N4 O7'
_chemical_formula_weight         1030.45
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 108.3890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5570(5)
_cell_length_b                   21.9488(10)
_cell_length_c                   16.3080(8)
_cell_measurement_temperature    298(2)
_cell_volume                     3925.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.910
_diffrn_measured_fraction_theta_max 0.910
_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  0.0447
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25122
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    1.730
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2012
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.5
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.507
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         9500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.878
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.519
_refine_ls_shift/su_mean         0.030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                5987
_reflns_number_total             9500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0257928_6.cif
_cod_data_source_block           cl440_Compound_3b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318729
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
Eu Eu 0.378391(12) 0.803028(6) 0.169983(9) 0.04462(5) Uani 1 1 d . . .
O2 O 0.6411(3) 0.89291(12) 0.50396(17) 0.1171(10) Uani 1 1 d . . .
N1 N 0.5091(2) 0.88015(9) 0.28479(16) 0.0538(6) Uani 1 1 d . . .
N2 N 0.6032(3) 0.90217(12) 0.42394(19) 0.0762(8) Uani 1 1 d . . .
N3 N 0.4500(2) 0.76205(10) 0.32300(15) 0.0514(6) Uani 1 1 d . . .
N4 N 0.5460(2) 0.77374(11) 0.46290(15) 0.0576(6) Uani 1 1 d . . .
H4A H 0.5862 0.7912 0.5106 0.069 Uiso 1 1 calc R . .
C1 C 0.5385(3) 0.86084(13) 0.3627(2) 0.0554(7) Uani 1 1 d . . .
C2 C 0.5435(3) 0.94657(13) 0.2870(2) 0.0701(9) Uani 1 1 d . . .
C3 C 0.6360(3) 0.95539(15) 0.3792(2) 0.0812(10) Uani 1 1 d . . .
C4 C 0.5939(4) 0.96037(16) 0.2142(3) 0.1091(14) Uani 1 1 d . . .
H4B H 0.5315 0.9542 0.1599 0.164 Uiso 1 1 calc R . .
H4C H 0.6614 0.9337 0.2181 0.164 Uiso 1 1 calc R . .
H4D H 0.6211 1.0019 0.2184 0.164 Uiso 1 1 calc R . .
C5 C 0.4252(4) 0.98217(15) 0.2744(3) 0.1019(13) Uani 1 1 d . . .
H5A H 0.3709 0.9754 0.2170 0.153 Uiso 1 1 calc R . .
H5B H 0.4433 1.0249 0.2827 0.153 Uiso 1 1 calc R . .
H5C H 0.3873 0.9686 0.3158 0.153 Uiso 1 1 calc R . .
C6 C 0.6269(5) 1.01439(16) 0.4256(3) 0.1273(17) Uani 1 1 d . . .
H6A H 0.5436 1.0213 0.4224 0.191 Uiso 1 1 calc R . .
H6B H 0.6551 1.0476 0.3987 0.191 Uiso 1 1 calc R . .
H6C H 0.6764 1.0115 0.4851 0.191 Uiso 1 1 calc R . .
C7 C 0.7701(4) 0.94429(19) 0.3831(3) 0.1269(17) Uani 1 1 d . . .
H7A H 0.8228 0.9503 0.4412 0.190 Uiso 1 1 calc R . .
H7B H 0.7917 0.9724 0.3452 0.190 Uiso 1 1 calc R . .
H7C H 0.7787 0.9033 0.3652 0.190 Uiso 1 1 calc R . .
C8 C 0.5099(2) 0.79972(13) 0.38426(19) 0.0509(7) Uani 1 1 d . . .
C9 C 0.4478(2) 0.70742(12) 0.3651(2) 0.0507(7) Uani 1 1 d . . .
C10 C 0.3986(3) 0.65116(13) 0.3312(2) 0.0659(8) Uani 1 1 d . . .
H10A H 0.3596 0.6457 0.2724 0.079 Uiso 1 1 calc R . .
C11 C 0.4110(3) 0.60441(14) 0.3894(2) 0.0759(10) Uani 1 1 d . . .
H11A H 0.3797 0.5663 0.3692 0.091 Uiso 1 1 calc R . .
C12 C 0.4688(3) 0.61222(15) 0.4775(2) 0.0745(10) Uani 1 1 d . . .
H12A H 0.4741 0.5793 0.5145 0.089 Uiso 1 1 calc R . .
C13 C 0.5179(3) 0.66674(15) 0.5112(2) 0.0643(8) Uani 1 1 d . . .
H13A H 0.5568 0.6717 0.5701 0.077 Uiso 1 1 calc R . .
C14 C 0.5071(2) 0.71450(13) 0.45329(19) 0.0512(7) Uani 1 1 d . . .
O1H O 0.31569(17) 0.89156(8) 0.08450(13) 0.0594(5) Uani 1 1 d . . .
O2H O 0.31755(16) 0.77439(9) 0.02169(13) 0.0551(5) Uani 1 1 d . . .
O3H O 0.24567(17) 0.85378(8) 0.23540(13) 0.0616(5) Uani 1 1 d . . .
O4H O 0.20624(16) 0.73873(8) 0.16150(12) 0.0552(5) Uani 1 1 d . . .
O5H O 0.55745(18) 0.81605(9) 0.13332(15) 0.0663(6) Uani 1 1 d . . .
O6H O 0.46405(19) 0.70536(8) 0.16573(14) 0.0612(5) Uani 1 1 d . . .
C1H C 0.2732(6) 0.97266(19) -0.0152(3) 0.0880(12) Uani 1 1 d . . .
C2H C 0.2963(3) 0.90460(14) 0.0069(2) 0.0623(8) Uani 1 1 d . . .
C3H C 0.2944(3) 0.86500(15) -0.0595(2) 0.0705(9) Uani 1 1 d . . .
H3HA H 0.2834 0.8805 -0.1145 0.085 Uiso 1 1 calc R . .
C4H C 0.3086(2) 0.80297(15) -0.0458(2) 0.0564(7) Uani 1 1 d . . .
C5H C 0.3139(4) 0.7639(2) -0.1223(2) 0.0735(10) Uani 1 1 d . . .
C6H C 0.1381(9) 0.8816(4) 0.3297(6) 0.144(3) Uani 1 1 d . . .
C7H C 0.1718(3) 0.83514(15) 0.2709(2) 0.0737(10) Uani 1 1 d . . .
C8H C 0.1188(3) 0.77817(16) 0.2632(2) 0.0835(11) Uani 1 1 d . . .
H8HA H 0.0692 0.7686 0.2966 0.100 Uiso 1 1 calc R . .
C9H C 0.1375(3) 0.73545(14) 0.2075(2) 0.0644(8) Uani 1 1 d . . .
C10H C 0.0629(6) 0.6759(2) 0.1953(4) 0.0907(13) Uani 1 1 d . . .
C11H C 0.7091(7) 0.8154(3) 0.0653(7) 0.1180(19) Uani 1 1 d . . .
C12H C 0.6190(3) 0.78135(17) 0.1029(2) 0.0683(9) Uani 1 1 d . . .
C13H C 0.6158(3) 0.71905(17) 0.0984(2) 0.0766(10) Uani 1 1 d . . .
H13B H 0.6647 0.6989 0.0714 0.092 Uiso 1 1 calc R . .
C14H C 0.5413(3) 0.68556(13) 0.1333(2) 0.0647(8) Uani 1 1 d . . .
C15H C 0.5521(6) 0.6157(2) 0.1333(4) 0.0954(13) Uani 1 1 d . . .
F1A F 0.3744(8) 0.9988(4) -0.0092(17) 0.136(5) Uani 0.62(3) 1 d P . .
F1B F 0.342(4) 1.0080(6) 0.0465(19) 0.172(13) Uani 0.38(3) 1 d P . .
F2A F 0.2018(18) 0.9818(4) -0.0952(8) 0.131(5) Uani 0.62(3) 1 d P . .
F2B F 0.289(6) 0.9885(10) -0.084(2) 0.199(17) Uani 0.38(3) 1 d P . .
F3A F 0.219(2) 0.9986(6) 0.0322(10) 0.139(7) Uani 0.62(3) 1 d P . .
F3B F 0.171(2) 0.9876(9) -0.016(4) 0.199(18) Uani 0.38(3) 1 d P . .
F4A F 0.2544(19) 0.7846(6) -0.1966(4) 0.182(8) Uani 0.66(2) 1 d P . .
F4B F 0.2142(13) 0.7432(16) -0.1648(12) 0.132(9) Uani 0.34(2) 1 d P . .
F5A F 0.2785(15) 0.7079(3) -0.1165(8) 0.120(5) Uani 0.66(2) 1 d P . .
F5B F 0.392(3) 0.7206(15) -0.0985(10) 0.171(16) Uani 0.34(2) 1 d P . .
F6A F 0.4254(7) 0.7581(6) -0.1195(7) 0.118(4) Uani 0.66(2) 1 d P . .
F6B F 0.352(3) 0.7943(10) -0.1783(17) 0.159(14) Uani 0.34(2) 1 d P . .
F7A F 0.238(3) 0.8806(12) 0.4077(12) 0.259(12) Uani 0.53(3) 1 d P . .
F7B F 0.091(3) 0.8547(9) 0.3848(15) 0.159(8) Uani 0.47(3) 1 d P . .
F8A F 0.0294(19) 0.8758(8) 0.336(2) 0.168(7) Uani 0.53(3) 1 d P . .
F8B F 0.059(3) 0.9261(14) 0.2679(17) 0.250(12) Uani 0.47(3) 1 d P . .
F9A F 0.141(3) 0.9316(6) 0.314(2) 0.195(13) Uani 0.53(3) 1 d P . .
F9B F 0.217(3) 0.9141(19) 0.365(3) 0.26(2) Uani 0.47(3) 1 d P . .
F10A F -0.0315(8) 0.6789(4) 0.1274(12) 0.163(7) Uani 0.750(18) 1 d P . .
F10B F 0.038(8) 0.656(3) 0.125(3) 0.22(3) Uani 0.250(18) 1 d P . .
F11A F 0.0364(18) 0.6594(4) 0.2640(8) 0.155(6) Uani 0.750(18) 1 d P . .
F11B F -0.051(2) 0.6882(12) 0.201(3) 0.138(11) Uani 0.250(18) 1 d P . .
F12A F 0.1260(8) 0.6287(3) 0.1806(9) 0.107(3) Uani 0.750(18) 1 d P . .
F12B F 0.105(5) 0.643(2) 0.253(5) 0.26(3) Uani 0.250(18) 1 d P . .
F13A F 0.8120(19) 0.8240(13) 0.1422(15) 0.231(9) Uani 0.59(3) 1 d P . .
F13B F 0.787(3) 0.7748(10) 0.055(3) 0.211(12) Uani 0.41(3) 1 d P . .
F14A F 0.680(2) 0.8662(6) 0.038(2) 0.196(11) Uani 0.59(3) 1 d P . .
F14B F 0.777(3) 0.8500(15) 0.1116(16) 0.158(9) Uani 0.41(3) 1 d P . .
F15A F 0.7445(17) 0.7841(6) 0.0081(13) 0.145(5) Uani 0.59(3) 1 d P . .
F15B F 0.6426(18) 0.8422(16) -0.0046(13) 0.163(8) Uani 0.41(3) 1 d P . .
F16A F 0.5648(13) 0.5933(3) 0.0644(6) 0.136(4) Uani 0.68(2) 1 d P . .
F16B F 0.440(2) 0.5950(8) 0.100(3) 0.30(3) Uani 0.32(2) 1 d P . .
F17A F 0.4591(13) 0.5867(3) 0.1402(10) 0.150(4) Uani 0.68(2) 1 d P . .
F17B F 0.580(3) 0.5974(10) 0.2136(17) 0.137(8) Uani 0.32(2) 1 d P . .
F18A F 0.6445(18) 0.5968(4) 0.1972(10) 0.169(6) Uani 0.68(2) 1 d P . .
F18B F 0.648(4) 0.6003(9) 0.113(4) 0.212(19) Uani 0.32(2) 1 d P . .
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
O5H Eu O6H 72.10(7) . . ?
O5H Eu O1H 83.15(7) . . ?
O6H Eu O1H 141.05(6) . . ?
O5H Eu O2H 76.99(7) . . ?
O6H Eu O2H 73.97(7) . . ?
O1H Eu O2H 71.40(7) . . ?
O5H Eu O3H 142.69(6) . . ?
O6H Eu O3H 139.78(6) . . ?
O1H Eu O3H 76.18(6) . . ?
O2H Eu O3H 123.28(7) . . ?
O5H Eu O4H 146.76(6) . . ?
O6H Eu O4H 79.25(6) . . ?
O1H Eu O4H 110.70(7) . . ?
O2H Eu O4H 79.22(6) . . ?
O3H Eu O4H 70.44(6) . . ?
O5H Eu N3 104.71(7) . . ?
O6H Eu N3 72.43(7) . . ?
O1H Eu N3 144.63(7) . . ?
O2H Eu N3 143.81(7) . . ?
O3H Eu N3 77.47(7) . . ?
O4H Eu N3 81.71(7) . . ?
O5H Eu N1 75.36(7) . . ?
O6H Eu N1 116.92(7) . . ?
O1H Eu N1 83.74(7) . . ?
O2H Eu N1 144.62(7) . . ?
O3H Eu N1 71.82(7) . . ?
O4H Eu N1 134.38(6) . . ?
N3 Eu N1 65.80(7) . . ?
C1 N1 C2 108.1(2) . . ?
C1 N1 Eu 114.09(17) . . ?
C2 N1 Eu 136.8(2) . . ?
O2 N2 C1 125.2(3) . . ?
O2 N2 C3 125.3(3) . . ?
C1 N2 C3 109.0(3) . . ?
C8 N3 C9 104.8(2) . . ?
C8 N3 Eu 117.12(17) . . ?
C9 N3 Eu 138.03(19) . . ?
C8 N4 C14 107.6(3) . . ?
N1 C1 N2 114.4(3) . . ?
N1 C1 C8 122.5(3) . . ?
N2 C1 C8 123.0(3) . . ?
N1 C2 C4 109.9(3) . . ?
N1 C2 C5 105.8(2) . . ?
C4 C2 C5 110.0(3) . . ?
N1 C2 C3 103.8(2) . . ?
C4 C2 C3 114.6(3) . . ?
C5 C2 C3 112.2(3) . . ?
N2 C3 C6 110.9(3) . . ?
N2 C3 C2 99.9(2) . . ?
C6 C3 C2 116.9(3) . . ?
N2 C3 C7 105.2(3) . . ?
C6 C3 C7 109.8(3) . . ?
C2 C3 C7 113.1(3) . . ?
N3 C8 N4 112.9(2) . . ?
N3 C8 C1 120.2(3) . . ?
N4 C8 C1 126.7(3) . . ?
N3 C9 C14 109.6(2) . . ?
N3 C9 C10 129.6(3) . . ?
C14 C9 C10 120.8(3) . . ?
C11 C10 C9 116.5(3) . . ?
C10 C11 C12 122.2(3) . . ?
C13 C12 C11 121.8(3) . . ?
C12 C13 C14 116.9(3) . . ?
N4 C14 C9 105.1(2) . . ?
N4 C14 C13 133.1(3) . . ?
C9 C14 C13 121.8(3) . . ?
C2H O1H Eu 135.19(18) . . ?
C4H O2H Eu 133.03(19) . . ?
C7H O3H Eu 133.12(19) . . ?
C9H O4H Eu 131.82(19) . . ?
C12H O5H Eu 133.4(2) . . ?
C14H O6H Eu 133.38(19) . . ?
F3B C1H F2B 109.2(14) . . ?
F3B C1H F1A 137.7(10) . . ?
F2B C1H F1A 64(2) . . ?
F3B C1H F3A 40(2) . . ?
F2B C1H F3A 131.6(11) . . ?
F1A C1H F3A 111.4(9) . . ?
F3B C1H F2A 69(2) . . ?
F2B C1H F2A 44(2) . . ?
F1A C1H F2A 106.1(7) . . ?
F3A C1H F2A 105.1(8) . . ?
F3B C1H F1B 101.6(13) . . ?
F2B C1H F1B 107.6(14) . . ?
F1A C1H F1B 50.3(16) . . ?
F3A C1H F1B 64.2(17) . . ?
F2A C1H F1B 134.6(7) . . ?
F3B C1H C2H 111.0(11) . . ?
F2B C1H C2H 114.7(9) . . ?
F1A C1H C2H 109.3(5) . . ?
F3A C1H C2H 112.0(6) . . ?
F2A C1H C2H 112.7(6) . . ?
F1B C1H C2H 111.9(7) . . ?
O1H C2H C3H 127.1(3) . . ?
O1H C2H C1H 115.0(3) . . ?
C3H C2H C1H 117.9(3) . . ?
C4H C3H C2H 121.4(3) . . ?
O2H C4H C3H 127.8(3) . . ?
O2H C4H C5H 115.2(3) . . ?
C3H C4H C5H 117.0(3) . . ?
F4B C5H F4A 57.7(8) . . ?
F4B C5H F6A 137.4(8) . . ?
F4A C5H F6A 107.8(8) . . ?
F4B C5H F5B 109.9(11) . . ?
F4A C5H F5B 132.0(7) . . ?
F6A C5H F5B 46.5(16) . . ?
F4B C5H F5A 55.6(12) . . ?
F4A C5H F5A 108.5(7) . . ?
F6A C5H F5A 103.7(6) . . ?
F5B C5H F5A 59.2(15) . . ?
F4B C5H F6B 104.6(10) . . ?
F4A C5H F6B 49.8(9) . . ?
F6A C5H F6B 61.6(14) . . ?
F5B C5H F6B 103.3(11) . . ?
F5A C5H F6B 135.1(7) . . ?
F4B C5H C4H 113.3(7) . . ?
F4A C5H C4H 115.3(4) . . ?
F6A C5H C4H 109.0(5) . . ?
F5B C5H C4H 111.9(7) . . ?
F5A C5H C4H 111.9(4) . . ?
F6B C5H C4H 113.0(7) . . ?
F9B C6H F9A 56(2) . . ?
F9B C6H F8A 130.5(12) . . ?
F9A C6H F8A 102.0(12) . . ?
F9B C6H F7B 111.2(19) . . ?
F9A C6H F7B 129.1(13) . . ?
F8A C6H F7B 44.7(7) . . ?
F9B C6H F8B 99(2) . . ?
F9A C6H F8B 42.9(13) . . ?
F8A C6H F8B 73.4(12) . . ?
F7B C6H F8B 116.9(13) . . ?
F9B C6H F7A 43(3) . . ?
F9A C6H F7A 98.2(17) . . ?
F8A C6H F7A 117.2(13) . . ?
F7B C6H F7A 77.0(12) . . ?
F8B C6H F7A 140.0(13) . . ?
F9B C6H C7H 114.0(11) . . ?
F9A C6H C7H 118.5(11) . . ?
F8A C6H C7H 115.3(8) . . ?
F7B C6H C7H 111.5(9) . . ?
F8B C6H C7H 103.6(10) . . ?
F7A C6H C7H 104.9(9) . . ?
O3H C7H C8H 127.4(3) . . ?
O3H C7H C6H 114.8(4) . . ?
C8H C7H C6H 117.8(3) . . ?
C9H C8H C7H 121.4(3) . . ?
O4H C9H C8H 128.3(3) . . ?
O4H C9H C10H 113.9(3) . . ?
C8H C9H C10H 117.7(3) . . ?
F12B C10H F10B 118(3) . . ?
F12B C10H F10A 138.6(12) . . ?
F10B C10H F10A 45(4) . . ?
F12B C10H F11A 44(4) . . ?
F10B C10H F11A 133.5(11) . . ?
F10A C10H F11A 112.9(8) . . ?
F12B C10H F11B 104(3) . . ?
F10B C10H F11B 101(3) . . ?
F10A C10H F11B 58.3(15) . . ?
F11A C10H F11B 60.7(14) . . ?
F12B C10H F12A 63(5) . . ?
F10B C10H F12A 61(4) . . ?
F10A C10H F12A 104.4(7) . . ?
F11A C10H F12A 103.4(8) . . ?
F11B C10H F12A 139.1(8) . . ?
F12B C10H C9H 110.5(14) . . ?
F10B C10H C9H 113.0(11) . . ?
F10A C10H C9H 110.7(6) . . ?
F11A C10H C9H 113.4(6) . . ?
F11B C10H C9H 109.4(10) . . ?
F12A C10H C9H 111.4(4) . . ?
F14A C11H F14B 72.1(12) . . ?
F14A C11H F15B 40.4(11) . . ?
F14B C11H F15B 111.2(15) . . ?
F14A C11H F15A 109.1(12) . . ?
F14B C11H F15A 119.6(13) . . ?
F15B C11H F15A 81.1(13) . . ?
F14A C11H F13B 134.0(12) . . ?
F14B C11H F13B 100(2) . . ?
F15B C11H F13B 115.5(17) . . ?
F15A C11H F13B 34.8(15) . . ?
F14A C11H F13A 104.9(15) . . ?
F14B C11H F13A 32.7(17) . . ?
F15B C11H F13A 143.3(12) . . ?
F15A C11H F13A 109.1(13) . . ?
F13B C11H F13A 78.1(17) . . ?
F14A C11H C12H 116.8(7) . . ?
F14B C11H C12H 116.7(12) . . ?
F15B C11H C12H 106.3(9) . . ?
F15A C11H C12H 115.0(6) . . ?
F13B C11H C12H 107.2(10) . . ?
F13A C11H C12H 101.0(10) . . ?
O5H C12H C13H 128.5(3) . . ?
O5H C12H C11H 113.6(4) . . ?
C13H C12H C11H 117.9(4) . . ?
C12H C13H C14H 121.2(3) . . ?
O6H C14H C13H 127.5(3) . . ?
O6H C14H C15H 114.5(3) . . ?
C13H C14H C15H 117.9(3) . . ?
F16B C15H F16A 83.1(18) . . ?
F16B C15H F17B 101.5(19) . . ?
F16A C15H F17B 134.5(10) . . ?
F16B C15H F18A 132.0(14) . . ?
F16A C15H F18A 106.7(7) . . ?
F17B C15H F18A 38.9(10) . . ?
F16B C15H F18B 128(2) . . ?
F16A C15H F18B 48(2) . . ?
F17B C15H F18B 102.5(17) . . ?
F18A C15H F18B 64.5(18) . . ?
F16B C15H F17A 28.5(18) . . ?
F16A C15H F17A 102.5(7) . . ?
F17B C15H F17A 73.0(13) . . ?
F18A C15H F17A 105.6(9) . . ?
F18B C15H F17A 134.3(15) . . ?
F16B C15H C14H 105.9(9) . . ?
F16A C15H C14H 114.6(6) . . ?
F17B C15H C14H 107.5(11) . . ?
F18A C15H C14H 111.3(7) . . ?
F18B C15H C14H 109.6(11) . . ?
F17A C15H C14H 115.1(5) . . ?
F1B F1A C1H 66.7(12) . . ?
F1B F1A F2B 116.2(17) . . ?
C1H F1A F2B 57.1(11) . . ?
F1A F1B C1H 63.0(13) . . ?
F1A F1B F3A 115.6(17) . . ?
C1H F1B F3A 56.1(11) . . ?
F2B F2A C1H 63.8(16) . . ?
F2B F2A F3B 111(2) . . ?
C1H F2A F3B 52.2(11) . . ?
F2A F2B C1H 71.7(16) . . ?
F2A F2B F1A 128.1(19) . . ?
C1H F2B F1A 59.4(14) . . ?
F3B F3A C1H 67.4(18) . . ?
F3B F3A F1B 123(2) . . ?
C1H F3A F1B 59.6(11) . . ?
F3A F3B C1H 73.0(19) . . ?
F3A F3B F2A 125(3) . . ?
C1H F3B F2A 58.5(16) . . ?
F6B F4A F4B 122.1(14) . . ?
F6B F4A C5H 66.9(11) . . ?
F4B F4A C5H 59.3(6) . . ?
F4A F4B F5A 122.2(13) . . ?
F4A F4B C5H 63.0(8) . . ?
F5A F4B C5H 65.6(9) . . ?
F4B F5A C5H 58.8(7) . . ?
F4B F5A F5B 113.1(14) . . ?
C5H F5A F5B 59.5(11) . . ?
F6A F5B C5H 66.6(14) . . ?
F6A F5B F5A 124.8(18) . . ?
C5H F5B F5A 61.3(9) . . ?
F5B F6A C5H 66.9(11) . . ?
F5B F6A F6B 120.2(15) . . ?
C5H F6A F6B 60.3(7) . . ?
F4A F6B F6A 117.0(16) . . ?
F4A F6B C5H 63.3(7) . . ?
F6A F6B C5H 58.1(10) . . ?
F9B F7A C6H 54.2(18) . . ?
F9B F7A F7B 95(2) . . ?
C6H F7A F7B 49.1(9) . . ?
F8A F7B C6H 66.2(13) . . ?
F8A F7B F7A 115(2) . . ?
C6H F7B F7A 53.9(9) . . ?
F7B F8A C6H 69.1(15) . . ?
F7B F8A F8B 126(2) . . ?
C6H F8A F8B 58.6(8) . . ?
F9A F8B C6H 49.1(15) . . ?
F9A F8B F8A 85(2) . . ?
C6H F8B F8A 48.0(10) . . ?
F8B F9A F9B 152(3) . . ?
F8B F9A C6H 88(2) . . ?
F9B F9A C6H 63.5(17) . . ?
F9A F9B C6H 60.5(17) . . ?
F9A F9B F7A 140(3) . . ?
C6H F9B F7A 82(2) . . ?
F10B F10A C10H 61(2) . . ?
F10B F10A F11B 121(3) . . ?
C10H F10A F11B 64.0(12) . . ?
F10A F10B C10H 74(2) . . ?
F10A F10B F12A 135(2) . . ?
C10H F10B F12A 66(3) . . ?
F11B F11A F12B 120(3) . . ?
F11B F11A C10H 62.1(10) . . ?
F12B F11A C10H 60(3) . . ?
F11A F11B C10H 57.1(12) . . ?
F11A F11B F10A 109.1(16) . . ?
C10H F11B F10A 57.7(10) . . ?
F12B F12A C10H 52.4(15) . . ?
F12B F12A F10B 101.2(16) . . ?
C10H F12A F10B 53.2(16) . . ?
F12A F12B C10H 64(4) . . ?
F12A F12B F11A 132(4) . . ?
C10H F12B F11A 75(3) . . ?
F14B F13A C11H 55(2) . . ?
F14B F13A F13B 91(3) . . ?
C11H F13A F13B 47.7(13) . . ?
F15A F13B C11H 73(2) . . ?
F15A F13B F13A 122(3) . . ?
C11H F13B F13A 54.3(10) . . ?
F15B F14A C11H 75.2(18) . . ?
F15B F14A F14B 126(3) . . ?
C11H F14A F14B 52.9(10) . . ?
F13A F14B C11H 93(3) . . ?
F13A F14B F14A 148(4) . . ?
C11H F14B F14A 55.0(9) . . ?
F13B F15A C11H 71.9(19) . . ?
F13B F15A F15B 120(2) . . ?
C11H F15A F15B 48.8(8) . . ?
F14A F15B C11H 64(2) . . ?
F14A F15B F15A 102(3) . . ?
C11H F15B F15A 50.1(10) . . ?
F18B F16A C15H 67.2(15) . . ?
F18B F16A F16B 114.2(18) . . ?
C15H F16A F16B 49.5(7) . . ?
F17A F16B C15H 73(2) . . ?
F17A F16B F16A 106(3) . . ?
C15H F16B F16A 47.3(13) . . ?
F16B F17A C15H 79(3) . . ?
F16B F17A F17B 133(3) . . ?
C15H F17A F17B 54.3(8) . . ?
F18A F17B C15H 70(2) . . ?
F18A F17B F17A 114(3) . . ?
C15H F17B F17A 52.8(12) . . ?
F17B F18A C15H 71(2) . . ?
F17B F18A F18B 127(4) . . ?
C15H F18A F18B 57.7(15) . . ?
F16A F18B C15H 64.9(18) . . ?
F16A F18B F18A 116(2) . . ?
C15H F18B F18A 57.8(9) . . ?
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 O5H 2.3456(18) . ?
Eu O6H 2.3714(17) . ?
Eu O1H 2.3680(18) . ?
Eu O2H 2.380(2) . ?
Eu O3H 2.4008(17) . ?
Eu O4H 2.4074(17) . ?
Eu N3 2.533(2) . ?
Eu N1 2.621(2) . ?
O2 N2 1.255(3) . ?
N1 C1 1.280(3) . ?
N1 C2 1.508(3) . ?
N2 C1 1.381(4) . ?
N2 C3 1.488(4) . ?
N3 C8 1.313(3) . ?
N3 C9 1.386(3) . ?
N4 C8 1.344(3) . ?
N4 C14 1.369(3) . ?
C1 C8 1.451(4) . ?
C2 C4 1.508(4) . ?
C2 C5 1.531(5) . ?
C2 C3 1.559(5) . ?
C3 C6 1.520(5) . ?
C3 C7 1.550(5) . ?
C9 C14 1.393(4) . ?
C9 C10 1.398(4) . ?
C10 C11 1.374(4) . ?
C11 C12 1.391(5) . ?
C12 C13 1.363(4) . ?
C13 C14 1.389(4) . ?
O1H C2H 1.247(3) . ?
O2H C4H 1.243(3) . ?
O3H C7H 1.242(3) . ?
O4H C9H 1.254(3) . ?
O5H C12H 1.247(4) . ?
O6H C14H 1.251(3) . ?
C1H F3B 1.225(18) . ?
C1H F2B 1.248(14) . ?
C1H F1A 1.279(9) . ?
C1H F3A 1.269(10) . ?
C1H F2A 1.321(10) . ?
C1H F1B 1.319(15) . ?
C1H C2H 1.540(5) . ?
C2H C3H 1.383(4) . ?
C3H C4H 1.381(4) . ?
C4H C5H 1.530(4) . ?
C5H F4B 1.229(10) . ?
C5H F4A 1.273(7) . ?
C5H F6A 1.282(8) . ?
C5H F5B 1.285(14) . ?
C5H F5A 1.309(6) . ?
C5H F6B 1.311(13) . ?
C6H F9B 1.161(19) . ?
C6H F9A 1.129(16) . ?
C6H F8A 1.299(14) . ?
C6H F7B 1.327(15) . ?
C6H F8B 1.49(3) . ?
C6H F7A 1.42(2) . ?
C6H C7H 1.532(5) . ?
C7H C8H 1.381(4) . ?
C8H C9H 1.370(4) . ?
C9H C10H 1.545(5) . ?
C10H F12B 1.17(3) . ?
C10H F10B 1.170(19) . ?
C10H F10A 1.287(11) . ?
C10H F11A 1.301(9) . ?
C10H F11B 1.370(19) . ?
C10H F12A 1.331(8) . ?
C11H F14A 1.210(14) . ?
C11H F14B 1.179(17) . ?
C11H F15B 1.30(2) . ?
C11H F15A 1.324(12) . ?
C11H F13B 1.314(19) . ?
C11H F13A 1.44(2) . ?
C11H C12H 1.556(6) . ?
C12H C13H 1.369(4) . ?
C13H C14H 1.384(4) . ?
C14H C15H 1.538(5) . ?
C15H F16B 1.32(2) . ?
C15H F16A 1.277(9) . ?
C15H F17B 1.31(2) . ?
C15H F18A 1.302(13) . ?
C15H F18B 1.300(18) . ?
C15H F17A 1.285(9) . ?
F1A F1B 1.11(3) . ?
F1A F2B 1.33(4) . ?
F1B F3A 1.38(3) . ?
F2A F2B 0.97(4) . ?
F2A F3B 1.45(4) . ?
F3A F3B 0.85(4) . ?
F4A F6B 1.088(16) . ?
F4A F4B 1.209(15) . ?
F4B F5A 1.19(2) . ?
F5A F5B 1.28(3) . ?
F5B F6A 1.01(3) . ?
F6A F6B 1.33(3) . ?
F7A F9B 0.99(5) . ?
F7A F7B 1.71(3) . ?
F7B F8A 0.998(16) . ?
F8A F8B 1.68(3) . ?
F8B F9A 1.02(3) . ?
F9A F9B 1.08(4) . ?
F10A F10B 0.95(8) . ?
F10A F11B 1.30(2) . ?
F10B F12A 1.28(8) . ?
F11A F11B 1.35(3) . ?
F11A F12B 0.94(8) . ?
F12A F12B 1.31(10) . ?
F13A F14B 0.78(3) . ?
F13A F13B 1.74(4) . ?
F13B F15A 0.79(3) . ?
F14A F15B 0.87(2) . ?
F14A F14B 1.41(2) . ?
F15A F15B 1.70(3) . ?
F16A F18B 1.05(5) . ?
F16A F16B 1.72(4) . ?
F16B F17A 0.64(4) . ?
F17A F17B 1.54(3) . ?
F17B F18A 0.87(2) . ?
F18A F18B 1.39(4) . ?
