Supplementary Material (ESI) for Chemical Communications
This journal is © The Royal Society of Chemistry 2005


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_publ_contact_author_name        'Prof. Dr. Koen Binnemans'
_publ_contact_author_address     
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
_publ_contact_author_email       koen.binnemans@chem.kuleuven.be
_publ_contact_author_phone       '+32 16 32 74 46'
_publ_contact_author_fax         '+32 16 32 79 92'
loop_
_publ_author_name
_publ_author_address
P.Nockemann
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
E.Beurer
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
K.Driesen
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
'R.Van Deun'
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
'K.Van Hecke'
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
;
L.Van Meervelt
;
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;
K.Binnemans
;Department of Chemistry,
Katholieke Universiteit Leuven,
Celestijnenlaan 200 F,
B-3001 Leuven,
Belgium
;

data_[HMIM][Eu(tta)4]
_database_code_depnum_ccdc_archive 'CCDC 271619'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H16 Eu F12 O8 S4, C10 H19 N2'
_chemical_formula_sum            'C42 H35 Eu F12 N2 O8 S4'
_chemical_formula_weight         1203.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.4045(8)
_cell_length_b                   18.6683(16)
_cell_length_c                   20.5603(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.167(5)
_cell_angle_gamma                90.00
_cell_volume                     4724.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2400
_exptl_absorpt_coefficient_mu    12.060
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_correction_T_min  0.105
_exptl_absorpt_correction_T_max  0.299
_exptl_absorpt_process_details   Platon

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  "crossed G\''obel mirrors"
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            25149
_diffrn_reflns_av_R_equivalents  0.1816
_diffrn_reflns_av_sigmaI/netI    0.1727
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.21
_diffrn_reflns_theta_max         65.08
_reflns_number_total             8007
_reflns_number_gt                4845
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    PLUTON
_computing_publication_material  PLATON

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1113P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8007
_refine_ls_number_parameters     624
_refine_ls_number_restraints     708
_refine_ls_R_factor_all          0.1254
_refine_ls_R_factor_gt           0.0843
_refine_ls_wR_factor_ref         0.2185
_refine_ls_wR_factor_gt          0.1985
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_restrained_S_all      0.923
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.60656(2) 0.339095(19) 0.650408(14) 0.02488(7) Uani 1 1 d U . .
S1 S 0.87859(18) 0.37751(14) 0.47979(11) 0.0766(7) Uani 1 1 d DU . .
C1 C 0.8967(3) 0.2983(2) 0.52266(19) 0.0406(8) Uani 1 1 d DU . .
C2 C 0.9847(3) 0.2488(2) 0.50076(17) 0.0193(7) Uani 1 1 d DU . .
H2 H 1.0085 0.2043 0.5170 0.023 Uiso 1 1 calc R . .
C3 C 1.0202(4) 0.2905(2) 0.4480(2) 0.0568(18) Uani 1 1 d DU . .
H3 H 1.0750 0.2735 0.4251 0.068 Uiso 1 1 calc R . .
C4 C 0.9736(4) 0.3535(3) 0.4325(2) 0.0633(19) Uani 1 1 d DU . .
H4 H 0.9920 0.3818 0.3984 0.076 Uiso 1 1 calc R . .
C5 C 0.8262(4) 0.2862(4) 0.5739(2) 0.0444(15) Uani 1 1 d DU . .
O1 O 0.7411(3) 0.3254(2) 0.57599(17) 0.0313(9) Uani 1 1 d U . .
C6 C 0.8583(5) 0.2316(4) 0.6206(3) 0.0476(16) Uani 1 1 d U . .
H6 H 0.9257 0.2099 0.6199 0.057 Uiso 1 1 calc R . .
C7 C 0.7914(5) 0.2085(4) 0.6686(3) 0.0411(14) Uani 1 1 d U . .
O2 O 0.6959(3) 0.2288(2) 0.67550(18) 0.0323(9) Uani 1 1 d U . .
C8 C 0.8371(7) 0.1467(4) 0.7112(4) 0.0539(17) Uani 1 1 d U . .
F1 F 0.7716(5) 0.0888(3) 0.7053(3) 0.0835(16) Uani 1 1 d U . .
F2 F 0.9373(4) 0.1290(3) 0.7066(3) 0.0849(15) Uani 1 1 d U . .
F3 F 0.8353(4) 0.1643(3) 0.7744(2) 0.0709(14) Uani 1 1 d U . .
S2 S 0.99294(14) 0.32161(11) 0.78956(10) 0.0594(5) Uani 1 1 d DU . .
C9 C 0.9381(3) 0.4042(2) 0.7752(2) 0.0436(9) Uani 1 1 d DU . .
C10 C 1.0050(4) 0.4623(2) 0.8111(3) 0.0582(18) Uani 1 1 d DU . .
H10 H 0.9910 0.5113 0.8104 0.070 Uiso 1 1 calc R . .
C11 C 1.0950(4) 0.4258(2) 0.8465(3) 0.0616(19) Uani 1 1 d DU . .
H11 H 1.1481 0.4505 0.8736 0.074 Uiso 1 1 calc R . .
C12 C 1.1001(4) 0.3550(2) 0.8394(3) 0.065(2) Uani 1 1 d DU . .
H12 H 1.1566 0.3270 0.8597 0.077 Uiso 1 1 calc R . .
C13 C 0.8383(3) 0.4129(3) 0.7295(2) 0.0385(14) Uani 1 1 d DU . .
O3 O 0.7768(3) 0.3610(2) 0.71741(19) 0.0343(9) Uani 1 1 d U . .
C14 C 0.8210(5) 0.4853(4) 0.6994(3) 0.0420(15) Uani 1 1 d U . .
H14 H 0.8671 0.5228 0.7140 0.050 Uiso 1 1 calc R . .
C15 C 0.7380(4) 0.4968(4) 0.6505(3) 0.0390(13) Uani 1 1 d U . .
O4 O 0.6578(3) 0.4589(2) 0.62689(18) 0.0315(9) Uani 1 1 d U . .
C16 C 0.7450(5) 0.5700(4) 0.6171(3) 0.0455(15) Uani 1 1 d U . .
F4 F 0.8205(3) 0.6127(2) 0.6424(2) 0.0581(12) Uani 1 1 d U . .
F5 F 0.7638(5) 0.5574(3) 0.5528(2) 0.0719(14) Uani 1 1 d U . .
F6 F 0.6535(3) 0.6052(3) 0.6116(3) 0.0641(13) Uani 1 1 d U . .
S3 S 0.54955(19) 0.52917(12) 0.80965(10) 0.0690(6) Uani 1 1 d DU . .
C17 C 0.4755(3) 0.4560(2) 0.82401(19) 0.0381(13) Uani 1 1 d DU . .
C18 C 0.4038(3) 0.46722(18) 0.87870(16) 0.0118(7) Uani 1 1 d DU . .
H18 H 0.3552 0.4356 0.8943 0.014 Uiso 1 1 calc R . .
C19 C 0.4310(4) 0.5392(2) 0.8997(3) 0.064(2) Uani 1 1 d DU . .
H19 H 0.3999 0.5595 0.9343 0.077 Uiso 1 1 calc R . .
C20 C 0.5013(4) 0.5767(3) 0.8691(3) 0.062(2) Uani 1 1 d DU . .
H20 H 0.5213 0.6237 0.8795 0.074 Uiso 1 1 calc R . .
C21 C 0.4869(4) 0.3940(2) 0.7813(2) 0.0361(13) Uani 1 1 d DU . .
O5 O 0.5680(3) 0.3953(3) 0.74767(19) 0.0391(10) Uani 1 1 d U . .
C22 C 0.4067(5) 0.3412(4) 0.7772(3) 0.0410(14) Uani 1 1 d U . .
H22 H 0.3502 0.3450 0.8028 0.049 Uiso 1 1 calc R . .
C23 C 0.4102(5) 0.2822(4) 0.7348(3) 0.0356(13) Uani 1 1 d U . .
O6 O 0.4764(3) 0.2669(2) 0.69709(19) 0.0351(10) Uani 1 1 d U . .
C24 C 0.3134(5) 0.2298(4) 0.7330(4) 0.0450(15) Uani 1 1 d U . .
F7 F 0.2542(4) 0.2367(3) 0.7824(3) 0.0896(15) Uani 1 1 d U . .
F8 F 0.3484(4) 0.1629(3) 0.7378(4) 0.0880(18) Uani 1 1 d U . .
F9 F 0.2518(5) 0.2319(4) 0.6791(3) 0.1127(19) Uani 1 1 d U . .
S4 S 0.25904(12) 0.47653(10) 0.67329(9) 0.0518(5) Uani 1 1 d DU . .
C25 C 0.2483(3) 0.4125(2) 0.6138(2) 0.0339(14) Uani 1 1 d DU . .
C26 C 0.1327(3) 0.4020(3) 0.5839(3) 0.0586(19) Uani 1 1 d DU . .
H26 H 0.1076 0.3734 0.5482 0.070 Uiso 1 1 calc R . .
C27 C 0.0692(3) 0.4456(3) 0.6222(3) 0.070(2) Uani 1 1 d DU . .
H27 H -0.0063 0.4457 0.6148 0.084 Uiso 1 1 calc R . .
C28 C 0.1237(3) 0.4861(3) 0.6690(3) 0.0485(17) Uani 1 1 d DU . .
H28 H 0.0901 0.5163 0.6963 0.058 Uiso 1 1 calc R . .
C29 C 0.3457(3) 0.3773(3) 0.5954(2) 0.0276(12) Uani 1 1 d DU . .
O7 O 0.4349(3) 0.4003(2) 0.62080(18) 0.0297(9) Uani 1 1 d U . .
C30 C 0.3305(5) 0.3197(4) 0.5507(3) 0.0355(14) Uani 1 1 d U . .
H30 H 0.2603 0.3070 0.5332 0.043 Uiso 1 1 calc R . .
C31 C 0.4171(5) 0.2821(4) 0.5325(3) 0.0326(12) Uani 1 1 d U . .
O8 O 0.5170(3) 0.2872(2) 0.55266(18) 0.0290(9) Uani 1 1 d U . .
C32 C 0.3934(5) 0.2235(4) 0.4791(3) 0.0390(14) Uani 1 1 d U . .
F10 F 0.2883(3) 0.2108(3) 0.4625(2) 0.0692(13) Uani 1 1 d U . .
F11 F 0.4427(4) 0.1634(2) 0.4958(2) 0.0580(11) Uani 1 1 d U . .
F12 F 0.4309(4) 0.2441(3) 0.42367(18) 0.0566(12) Uani 1 1 d U . .
C33 C 0.3942(5) 0.6703(5) 0.6805(3) 0.0504(16) Uani 1 1 d U . .
H33 H 0.3960 0.6810 0.7248 0.061 Uiso 1 1 calc R . .
N1 N 0.4130(4) 0.6171(3) 0.5889(2) 0.0407(13) Uani 1 1 d U . .
C34 C 0.4348(5) 0.6131(5) 0.6558(3) 0.0515(17) Uani 1 1 d U . .
H34 H 0.4719 0.5762 0.6794 0.062 Uiso 1 1 calc R . .
C35 C 0.3615(5) 0.6766(4) 0.5742(3) 0.0436(15) Uani 1 1 d U . .
H35 H 0.3373 0.6926 0.5321 0.052 Uiso 1 1 calc R . .
N2 N 0.3490(4) 0.7112(4) 0.6297(2) 0.0496(13) Uani 1 1 d U . .
C36 C 0.4385(6) 0.5617(4) 0.5409(3) 0.0531(19) Uani 1 1 d U . .
H36A H 0.3733 0.5489 0.5132 0.080 Uiso 1 1 calc R . .
H36B H 0.4680 0.5200 0.5640 0.080 Uiso 1 1 calc R . .
H36C H 0.4906 0.5805 0.5146 0.080 Uiso 1 1 calc R . .
C37 C 0.2822(6) 0.7737(5) 0.6347(4) 0.0583(17) Uani 1 1 d U . .
H37A H 0.2973 0.7933 0.6786 0.070 Uiso 1 1 calc R . .
H37B H 0.2064 0.7596 0.6280 0.070 Uiso 1 1 calc R . .
C38 C 0.3008(6) 0.8315(5) 0.5854(3) 0.0548(16) Uani 1 1 d U . .
H38A H 0.3772 0.8442 0.5902 0.066 Uiso 1 1 calc R . .
H38B H 0.2811 0.8134 0.5413 0.066 Uiso 1 1 calc R . .
C39 C 0.2348(7) 0.8964(4) 0.5953(3) 0.067(2) Uani 1 1 d DU . .
H39A H 0.2570 0.9147 0.6391 0.081 Uiso 1 1 calc R . .
H39B H 0.1592 0.8823 0.5931 0.081 Uiso 1 1 calc R . .
C40 C 0.2430(7) 0.9566(3) 0.5470(4) 0.098(3) Uani 1 1 d DU . .
H40A H 0.3182 0.9704 0.5459 0.117 Uiso 1 1 calc R . .
H40B H 0.2120 0.9424 0.5032 0.117 Uiso 1 1 calc R . .
C41 C 0.1790(8) 1.0175(3) 0.5717(5) 0.145(5) Uani 1 1 d DU . .
H41A H 0.1040 1.0022 0.5707 0.174 Uiso 1 1 calc R . .
H41B H 0.2071 1.0266 0.6171 0.174 Uiso 1 1 calc R . .
C42 C 0.1806(18) 1.0852(4) 0.5351(7) 0.231(10) Uani 1 1 d DU . .
H42A H 0.2512 1.0921 0.5216 0.347 Uiso 1 1 calc R . .
H42B H 0.1646 1.1243 0.5628 0.347 Uiso 1 1 calc R . .
H42C H 0.1270 1.0835 0.4972 0.347 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Eu1 0.02596(11) 0.02913(15) 0.01832(12) 0.00072(15) -0.00202(9) -0.00077(15)
S1 0.0651(10) 0.0970(17) 0.0682(12) 0.0103(12) 0.0097(9) -0.0032(12)
C1 0.0383(12) 0.0447(14) 0.0389(13) -0.0019(11) 0.0051(10) -0.0017(11)
C2 0.0179(11) 0.0231(12) 0.0173(12) -0.0040(10) 0.0033(9) -0.0080(10)
C3 0.043(3) 0.083(4) 0.046(3) 0.005(3) 0.010(2) -0.013(3)
C4 0.049(3) 0.087(4) 0.053(3) 0.020(3) 0.004(3) -0.010(3)
C5 0.039(2) 0.054(4) 0.040(3) -0.007(2) 0.006(2) 0.003(3)
O1 0.0241(13) 0.044(2) 0.0258(15) 0.0038(16) 0.0044(12) -0.0011(15)
C6 0.041(3) 0.050(4) 0.051(3) 0.005(2) 0.005(2) 0.012(3)
C7 0.033(2) 0.039(3) 0.049(3) 0.001(2) -0.002(2) 0.005(2)
O2 0.0355(15) 0.0337(19) 0.0271(17) 0.0038(15) 0.0007(14) -0.0007(15)
C8 0.064(3) 0.038(3) 0.062(3) 0.009(3) 0.014(3) 0.010(3)
F1 0.118(3) 0.040(2) 0.080(3) 0.012(2) -0.036(3) -0.010(2)
F2 0.083(2) 0.088(3) 0.089(3) 0.037(3) 0.030(2) 0.053(2)
F3 0.078(3) 0.082(3) 0.051(2) 0.009(2) -0.001(2) 0.015(3)
S2 0.0500(8) 0.0645(12) 0.0599(10) 0.0064(9) -0.0079(8) 0.0065(8)
C9 0.0410(13) 0.0461(14) 0.0434(14) 0.0016(11) 0.0043(10) -0.0013(11)
C10 0.051(3) 0.066(3) 0.057(4) 0.012(3) 0.003(3) -0.023(3)
C11 0.042(3) 0.092(4) 0.048(4) 0.012(3) -0.006(3) -0.027(3)
C12 0.045(3) 0.092(4) 0.054(4) 0.014(4) -0.006(3) 0.002(3)
C13 0.030(2) 0.049(3) 0.038(3) 0.006(2) 0.0097(19) -0.001(2)
O3 0.0325(15) 0.032(2) 0.0351(18) 0.0027(16) -0.0103(14) -0.0008(15)
C14 0.033(2) 0.045(3) 0.048(3) 0.001(3) 0.006(2) -0.006(3)
C15 0.026(2) 0.040(3) 0.052(3) 0.008(2) 0.008(2) 0.002(2)
O4 0.0337(16) 0.0285(18) 0.0316(17) 0.0073(15) 0.0016(14) -0.0010(14)
C16 0.036(2) 0.048(3) 0.056(3) 0.009(3) 0.016(2) -0.006(2)
F4 0.0549(19) 0.042(2) 0.079(3) 0.009(2) 0.0147(19) -0.0075(19)
F5 0.093(3) 0.072(3) 0.055(2) 0.019(2) 0.025(2) 0.006(3)
F6 0.0514(18) 0.039(2) 0.105(3) 0.018(2) 0.022(2) 0.0090(18)
S3 0.0843(12) 0.0628(13) 0.0572(10) -0.0048(10) -0.0022(9) -0.0097(11)
C17 0.045(3) 0.046(3) 0.023(2) -0.001(2) 0.000(2) 0.006(2)
C18 0.0146(11) 0.0113(12) 0.0092(11) -0.0003(9) -0.0003(9) 0.0015(9)
C19 0.078(4) 0.061(4) 0.055(3) -0.019(3) 0.007(3) 0.000(4)
C20 0.072(4) 0.040(3) 0.070(4) -0.005(3) -0.006(3) -0.001(3)
C21 0.038(2) 0.046(3) 0.024(2) 0.001(2) 0.0005(19) 0.007(2)
O5 0.0451(18) 0.046(2) 0.0264(16) -0.0057(16) 0.0043(14) -0.0102(18)
C22 0.051(3) 0.038(3) 0.035(3) 0.010(2) 0.010(2) 0.002(2)
C23 0.035(2) 0.041(3) 0.030(2) 0.011(2) 0.0058(18) -0.001(2)
O6 0.0354(15) 0.035(2) 0.0347(18) 0.0017(16) 0.0034(14) -0.0066(16)
C24 0.036(2) 0.040(3) 0.060(3) 0.015(3) 0.008(2) 0.006(2)
F7 0.094(2) 0.063(3) 0.126(3) -0.015(3) 0.073(2) -0.026(3)
F8 0.060(2) 0.036(2) 0.172(5) -0.014(3) 0.030(3) -0.006(2)
F9 0.085(3) 0.149(5) 0.092(3) 0.055(3) -0.035(2) -0.073(3)
S4 0.0354(6) 0.0580(10) 0.0602(9) -0.0275(8) -0.0005(6) 0.0040(7)
C25 0.0306(19) 0.044(3) 0.027(2) -0.007(2) 0.0034(19) -0.004(2)
C26 0.026(2) 0.081(5) 0.071(4) -0.031(3) 0.014(2) 0.004(3)
C27 0.033(2) 0.082(5) 0.097(5) -0.052(4) 0.014(3) -0.002(3)
C28 0.034(2) 0.062(4) 0.053(3) -0.016(3) 0.019(2) -0.009(3)
C29 0.0255(18) 0.035(3) 0.021(2) 0.0080(19) 0.0002(17) 0.000(2)
O7 0.0298(14) 0.0253(19) 0.0327(17) -0.0018(15) -0.0013(14) 0.0018(15)
C30 0.032(2) 0.043(3) 0.031(3) -0.006(2) 0.004(2) -0.001(2)
C31 0.037(2) 0.039(3) 0.020(2) -0.006(2) -0.0030(19) -0.007(2)
O8 0.0219(13) 0.034(2) 0.0285(16) -0.0015(15) -0.0055(13) 0.0033(15)
C32 0.031(2) 0.038(3) 0.046(3) -0.011(2) -0.004(2) -0.002(2)
F10 0.0350(15) 0.086(3) 0.083(3) -0.052(2) -0.0057(17) -0.0071(19)
F11 0.066(2) 0.046(2) 0.057(2) -0.0144(18) -0.0119(19) 0.009(2)
F12 0.073(2) 0.065(3) 0.0313(16) -0.0191(16) 0.0052(16) -0.007(2)
C33 0.042(3) 0.085(4) 0.025(2) -0.009(3) 0.003(2) -0.024(3)
N1 0.038(2) 0.062(3) 0.0211(19) -0.002(2) 0.0015(18) -0.003(2)
C34 0.042(3) 0.085(4) 0.027(2) 0.008(3) 0.002(2) -0.007(3)
C35 0.044(3) 0.064(3) 0.024(2) -0.007(2) 0.008(2) -0.001(3)
N2 0.044(2) 0.079(3) 0.025(2) -0.015(2) 0.001(2) -0.006(2)
C36 0.063(4) 0.054(4) 0.042(3) -0.001(3) 0.004(3) 0.007(3)
C37 0.053(3) 0.077(3) 0.047(3) -0.019(3) 0.015(3) -0.006(3)
C38 0.048(3) 0.073(3) 0.045(3) -0.024(3) 0.011(3) -0.009(3)
C39 0.066(4) 0.075(3) 0.059(4) -0.020(3) 0.001(4) -0.005(4)
C40 0.106(6) 0.081(4) 0.112(6) -0.001(4) 0.038(5) -0.011(4)
C41 0.105(8) 0.100(5) 0.227(12) 0.000(5) 0.014(9) 0.033(6)
C42 0.23(2) 0.110(6) 0.34(2) 0.041(9) 0.01(2) 0.045(10)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Eu1 O5 2.359(4) . ?
Eu1 O2 2.365(4) . ?
Eu1 O8 2.378(4) . ?
Eu1 O4 2.392(4) . ?
Eu1 O6 2.394(4) . ?
Eu1 O3 2.408(4) . ?
Eu1 O1 2.414(4) . ?
Eu1 O7 2.426(4) . ?
S1 C4 1.679(5) . ?
S1 C1 1.722(4) . ?
C1 C5 1.468(5) . ?
C1 C2 1.539(5) . ?
C2 C3 1.449(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.331(6) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C5 O1 1.289(7) . ?
C5 C6 1.423(9) . ?
C6 C7 1.432(10) . ?
C6 H6 0.9300 . ?
C7 O2 1.270(7) . ?
C7 C8 1.515(10) . ?
C8 F2 1.301(10) . ?
C8 F3 1.345(9) . ?
C8 F1 1.348(10) . ?
S2 C12 1.694(5) . ?
S2 C9 1.696(4) . ?
C9 C13 1.466(5) . ?
C9 C10 1.503(5) . ?
C10 C11 1.428(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.331(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 O3 1.239(7) . ?
C13 C14 1.491(10) . ?
C14 C15 1.363(8) . ?
C14 H14 0.9300 . ?
C15 O4 1.267(7) . ?
C15 C16 1.537(10) . ?
C16 F4 1.288(8) . ?
C16 F6 1.303(8) . ?
C16 F5 1.392(9) . ?
S3 C20 1.679(5) . ?
S3 C17 1.693(4) . ?
C17 C21 1.470(5) . ?
C17 C18 1.532(5) . ?
C18 C19 1.439(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.336(6) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 O5 1.290(7) . ?
C21 C22 1.396(9) . ?
C22 C23 1.408(10) . ?
C22 H22 0.9300 . ?
C23 O6 1.231(7) . ?
C23 C24 1.547(9) . ?
C24 F9 1.266(9) . ?
C24 F8 1.321(9) . ?
C24 F7 1.332(9) . ?
S4 C28 1.680(4) . ?
S4 C25 1.704(4) . ?
C25 C29 1.466(5) . ?
C25 C26 1.500(5) . ?
C26 C27 1.434(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.338(6) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 O7 1.241(6) . ?
C29 C30 1.411(8) . ?
C30 C31 1.373(9) . ?
C30 H30 0.9300 . ?
C31 O8 1.261(7) . ?
C31 C32 1.552(9) . ?
C32 F11 1.304(8) . ?
C32 F10 1.327(7) . ?
C32 F12 1.341(8) . ?
C33 C34 1.311(12) . ?
C33 N2 1.357(9) . ?
C33 H33 0.9300 . ?
N1 C35 1.300(10) . ?
N1 C34 1.369(8) . ?
N1 C36 1.490(10) . ?
C34 H34 0.9300 . ?
C35 N2 1.335(9) . ?
C35 H35 0.9300 . ?
N2 C37 1.443(11) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.518(12) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.490(11) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.512(7) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C41 1.510(8) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.473(8) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?

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
O5 Eu1 O2 109.94(14) . . ?
O5 Eu1 O8 140.79(13) . . ?
O2 Eu1 O8 89.22(13) . . ?
O5 Eu1 O4 80.95(15) . . ?
O2 Eu1 O4 136.86(13) . . ?
O8 Eu1 O4 108.54(13) . . ?
O5 Eu1 O6 72.07(15) . . ?
O2 Eu1 O6 75.13(14) . . ?
O8 Eu1 O6 80.94(13) . . ?
O4 Eu1 O6 144.80(14) . . ?
O5 Eu1 O3 72.28(14) . . ?
O2 Eu1 O3 70.72(14) . . ?
O8 Eu1 O3 146.78(13) . . ?
O4 Eu1 O3 73.77(13) . . ?
O6 Eu1 O3 116.97(13) . . ?
O5 Eu1 O1 144.43(14) . . ?
O2 Eu1 O1 72.78(14) . . ?
O8 Eu1 O1 73.03(12) . . ?
O4 Eu1 O1 75.45(14) . . ?
O6 Eu1 O1 138.48(15) . . ?
O3 Eu1 O1 75.77(13) . . ?
O5 Eu1 O7 74.87(14) . . ?
O2 Eu1 O7 146.87(14) . . ?
O8 Eu1 O7 71.16(13) . . ?
O4 Eu1 O7 75.86(13) . . ?
O6 Eu1 O7 75.58(14) . . ?
O3 Eu1 O7 137.98(14) . . ?
O1 Eu1 O7 123.05(13) . . ?
C4 S1 C1 90.6(2) . . ?
C5 C1 C2 128.7(4) . . ?
C5 C1 S1 116.6(4) . . ?
C2 C1 S1 114.7(3) . . ?
C3 C2 C1 100.9(3) . . ?
C3 C2 H2 129.5 . . ?
C1 C2 H2 129.5 . . ?
C4 C3 C2 119.4(4) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 S1 114.4(4) . . ?
C3 C4 H4 122.8 . . ?
S1 C4 H4 122.8 . . ?
O1 C5 C6 123.0(5) . . ?
O1 C5 C1 120.0(5) . . ?
C6 C5 C1 116.9(5) . . ?
C5 O1 Eu1 135.6(3) . . ?
C5 C6 C7 122.9(6) . . ?
C5 C6 H6 118.5 . . ?
C7 C6 H6 118.5 . . ?
O2 C7 C6 128.1(6) . . ?
O2 C7 C8 116.7(6) . . ?
C6 C7 C8 114.9(6) . . ?
C7 O2 Eu1 130.9(4) . . ?
F2 C8 F3 105.3(6) . . ?
F2 C8 F1 111.2(7) . . ?
F3 C8 F1 101.6(6) . . ?
F2 C8 C7 116.3(7) . . ?
F3 C8 C7 108.8(6) . . ?
F1 C8 C7 112.4(6) . . ?
C12 S2 C9 92.2(2) . . ?
C13 C9 C10 127.2(4) . . ?
C13 C9 S2 120.0(4) . . ?
C10 C9 S2 112.7(3) . . ?
C11 C10 C9 104.7(3) . . ?
C11 C10 H10 127.6 . . ?
C9 C10 H10 127.6 . . ?
C12 C11 C10 117.6(4) . . ?
C12 C11 H11 121.2 . . ?
C10 C11 H11 121.2 . . ?
C11 C12 S2 112.8(4) . . ?
C11 C12 H12 123.6 . . ?
S2 C12 H12 123.6 . . ?
O3 C13 C9 119.5(5) . . ?
O3 C13 C14 124.8(4) . . ?
C9 C13 C14 115.7(5) . . ?
C13 O3 Eu1 136.2(3) . . ?
C15 C14 C13 120.4(6) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
O4 C15 C14 132.7(7) . . ?
O4 C15 C16 114.3(5) . . ?
C14 C15 C16 113.0(6) . . ?
C15 O4 Eu1 131.4(4) . . ?
F4 C16 F6 107.7(6) . . ?
F4 C16 F5 106.8(6) . . ?
F6 C16 F5 104.6(6) . . ?
F4 C16 C15 116.6(6) . . ?
F6 C16 C15 113.0(5) . . ?
F5 C16 C15 107.4(6) . . ?
C20 S3 C17 92.8(2) . . ?
C21 C17 C18 130.9(4) . . ?
C21 C17 S3 115.9(3) . . ?
C18 C17 S3 113.2(3) . . ?
C19 C18 C17 102.3(3) . . ?
C19 C18 H18 128.9 . . ?
C17 C18 H18 128.9 . . ?
C20 C19 C18 119.3(4) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C19 C20 S3 112.3(4) . . ?
C19 C20 H20 123.8 . . ?
S3 C20 H20 123.9 . . ?
O5 C21 C22 125.3(5) . . ?
O5 C21 C17 116.5(4) . . ?
C22 C21 C17 118.1(5) . . ?
C21 O5 Eu1 134.5(3) . . ?
C21 C22 C23 120.9(6) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
O6 C23 C22 130.2(6) . . ?
O6 C23 C24 114.5(6) . . ?
C22 C23 C24 115.2(6) . . ?
C23 O6 Eu1 131.2(4) . . ?
F9 C24 F8 104.6(7) . . ?
F9 C24 F7 109.5(6) . . ?
F8 C24 F7 104.0(6) . . ?
F9 C24 C23 112.6(6) . . ?
F8 C24 C23 110.4(5) . . ?
F7 C24 C23 114.9(6) . . ?
C28 S4 C25 92.8(2) . . ?
C29 C25 C26 127.7(4) . . ?
C29 C25 S4 120.5(3) . . ?
C26 C25 S4 111.8(3) . . ?
C27 C26 C25 105.3(4) . . ?
C27 C26 H26 127.4 . . ?
C25 C26 H26 127.4 . . ?
C28 C27 C26 116.9(4) . . ?
C28 C27 H27 121.5 . . ?
C26 C27 H27 121.5 . . ?
C27 C28 S4 112.9(4) . . ?
C27 C28 H28 123.5 . . ?
S4 C28 H28 123.5 . . ?
O7 C29 C30 125.3(4) . . ?
O7 C29 C25 117.2(4) . . ?
C30 C29 C25 117.5(4) . . ?
C29 O7 Eu1 130.7(3) . . ?
C31 C30 C29 121.4(5) . . ?
C31 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
O8 C31 C30 130.0(6) . . ?
O8 C31 C32 112.1(5) . . ?
C30 C31 C32 117.9(5) . . ?
C31 O8 Eu1 130.1(4) . . ?
F11 C32 F10 109.2(6) . . ?
F11 C32 F12 105.7(5) . . ?
F10 C32 F12 105.4(5) . . ?
F11 C32 C31 112.3(5) . . ?
F10 C32 C31 113.7(5) . . ?
F12 C32 C31 110.1(5) . . ?
C34 C33 N2 107.5(6) . . ?
C34 C33 H33 126.3 . . ?
N2 C33 H33 126.3 . . ?
C35 N1 C34 108.0(6) . . ?
C35 N1 C36 125.3(5) . . ?
C34 N1 C36 126.6(6) . . ?
C33 C34 N1 107.9(7) . . ?
C33 C34 H34 126.0 . . ?
N1 C34 H34 126.0 . . ?
N1 C35 N2 108.7(6) . . ?
N1 C35 H35 125.7 . . ?
N2 C35 H35 125.7 . . ?
C35 N2 C33 107.8(7) . . ?
C35 N2 C37 125.5(6) . . ?
C33 N2 C37 125.8(6) . . ?
N1 C36 H36A 109.5 . . ?
N1 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N1 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N2 C37 C38 113.0(6) . . ?
N2 C37 H37A 109.0 . . ?
C38 C37 H37A 109.0 . . ?
N2 C37 H37B 109.0 . . ?
C38 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C37 110.8(6) . . ?
C39 C38 H38A 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C39 C38 H38B 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 108.1 . . ?
C38 C39 C40 115.6(6) . . ?
C38 C39 H39A 108.4 . . ?
C40 C39 H39A 108.4 . . ?
C38 C39 H39B 108.4 . . ?
C40 C39 H39B 108.4 . . ?
H39A C39 H39B 107.5 . . ?
C41 C40 C39 104.9(6) . . ?
C41 C40 H40A 110.8 . . ?
C39 C40 H40A 110.8 . . ?
C41 C40 H40B 110.8 . . ?
C39 C40 H40B 110.8 . . ?
H40A C40 H40B 108.8 . . ?
C42 C41 C40 115.7(9) . . ?
C42 C41 H41A 108.3 . . ?
C40 C41 H41A 108.4 . . ?
C42 C41 H41B 108.4 . . ?
C40 C41 H41B 108.4 . . ?
H41A C41 H41B 107.4 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        65.08
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.780
_refine_diff_density_min         -1.288
_refine_diff_density_rms         0.197