# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1554
 
data_[H2LEuCl3](ClO4)2.H2O
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          
;
C35 H47 N9 2+, Eu 3+, (Cl 1-)3, (Cl O4 1-)2, (H2 O)4
; 
_chemical_formula_structural      
;
[Eu (C35 H47 N9) (Cl)3] (ClO4)2 (H2 O)4
;
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C35 H55 Cl5 Eu N9 O12' 
_chemical_formula_weight          1123.09 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 'Eu'  'Eu'  -0.1578   3.6682 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 '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' 
 
_symmetry_cell_setting            'triclinic' 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    13.302(4) 
_cell_length_b                    13.306(6) 
_cell_length_c                    15.230(10) 
_cell_angle_alpha                 83.69(5) 
_cell_angle_beta                  64.46(4) 
_cell_angle_gamma                 66.14(3) 
_cell_volume                      2217.6(19) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     298 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       6
_cell_measurement_theta_max       13 
 
_exptl_crystal_description        prismatic
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.4
_exptl_crystal_size_mid           0.3
_exptl_crystal_size_min           0.25
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.682 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1144 
_exptl_absorpt_coefficient_mu     1.785 
_exptl_absorpt_correction_type    'refdelf (Walker and Stuart, 1983)' 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       298
_diffrn_radiation_wavelength      0.71069 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'ENRAF NONIUS CAD4' 
_diffrn_measurement_method        '\q/2\q'
_diffrn_standards_number          2
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   60 
_diffrn_standards_decay_%         0
_diffrn_reflns_number             5638 
_diffrn_reflns_av_R_equivalents   0.1189 
_diffrn_reflns_av_sigmaI/netI     0.1325 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -15 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          2.75 
_diffrn_reflns_theta_max          24.92 
_reflns_number_total              5329 
_reflns_number_observed           3565 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'ENRAF NONIUS CAD4' 
_computing_cell_refinement        'ENRAF NONIUS CAD4' 
_computing_data_reduction         'ENRAF NONIUS CAD4' 
_computing_structure_solution     'SIR92 (Altomare, 1993)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'ORTEP (Johnson, 1971)' 
_computing_publication_material   'PARST93 (Nardelli, 1993)'
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 7 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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. 
 
 Rotational disorder affects the perchlorate anions: five peaks from the 
 electronic density map have been introduced as oxygen atoms bound to the 
 chlorine atoms. Double positions have been introduced for C28, C28', C29 and
 C29' (population parameters 0.7, 07, 03 and 0.3 for C28, C29 C28' and C29',
 respectively).
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.1583P)^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     refU 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5322 
_refine_ls_number_parameters      540 
_refine_ls_number_restraints      6 
_refine_ls_R_factor_all           0.1418 
_refine_ls_R_factor_obs           0.0769 
_refine_ls_wR_factor_all          0.2364 
_refine_ls_wR_factor_obs          0.1973 
_refine_ls_goodness_of_fit_all    1.037 
_refine_ls_goodness_of_fit_obs    1.089 
_refine_ls_restrained_S_all       1.045 
_refine_ls_restrained_S_obs       1.091 
_refine_ls_shift/esd_max          -0.316 
_refine_ls_shift/esd_mean         0.018 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Eu Eu 0.96157(5) 0.30719(5) 0.26091(5) 0.0342(2) Uani 1 d . . 
Cl1 Cl 0.9257(3) 0.1867(3) 0.1439(2) 0.0533(9) Uani 1 d . . 
Cl2 Cl 1.0584(3) 0.3812(3) 0.0837(3) 0.0574(9) Uani 1 d . . 
Cl3 Cl 0.9134(3) 0.3259(3) 0.4578(2) 0.0552(9) Uani 1 d . . 
N1 N 0.7515(8) 0.4685(8) 0.2570(7) 0.043(3) Uani 1 d . . 
C1 C 0.7597(11) 0.5767(10) 0.2457(10) 0.050(3) Uani 1 d . . 
H1A H 0.6797(11) 0.6345(10) 0.2615(10) 0.050 Uiso 1 calc R . 
H1B H 0.8119(11) 0.5810(10) 0.1784(10) 0.050 Uiso 1 calc R . 
C2 C 0.8097(11) 0.5936(10) 0.3113(10) 0.047(3) Uani 1 d . . 
N2 N 0.9136(8) 0.5126(8) 0.3039(7) 0.042(3) Uani 1 d . . 
C3 C 0.9747(10) 0.5265(9) 0.3504(9) 0.038(3) Uani 1 d . . 
C4 C 0.9276(13) 0.6195(11) 0.4107(11) 0.059(4) Uani 1 d . . 
H4 H 0.9698 0.6268 0.4432 0.050 Uiso 1 calc . . 
C5 C 0.8161(14) 0.7025(11) 0.4228(11) 0.064(4) Uani 1 d . . 
H5 H 0.7810 0.7647 0.4652 0.050 Uiso 1 calc . . 
C6 C 0.7575(11) 0.6898(10) 0.3687(10) 0.049(4) Uani 1 d . . 
H6 H 0.6852 0.7453 0.3721 0.050 Uiso 1 calc . . 
C7 C 1.0982(10) 0.4426(9) 0.3242(9) 0.040(3) Uani 1 d . . 
N3 N 1.1297(8) 0.3526(8) 0.2706(7) 0.042(3) Uani 1 d . . 
C8 C 1.2444(11) 0.2816(11) 0.2354(11) 0.054(4) Uani 1 d . . 
C9 C 1.3332(12) 0.2907(13) 0.2558(13) 0.072(5) Uani 1 d . . 
H9 H 1.4126 0.2380 0.2312 0.050 Uiso 1 calc . . 
C10 C 1.2976(12) 0.3801(14) 0.3130(13) 0.073(5) Uani 1 d . . 
H10 H 1.3537 0.3879 0.3298 0.050 Uiso 1 calc . . 
C11 C 1.1813(12) 0.4604(12) 0.3476(10) 0.060(4) Uani 1 d . . 
H11 H 1.1588 0.5233 0.3847 0.050 Uiso 1 calc . . 
C12 C 1.2817(11) 0.1887(12) 0.1649(11) 0.058(4) Uani 1 d . . 
H12A H 1.2974(11) 0.2151(12) 0.1003(11) 0.050 Uiso 1 calc R . 
H12B H 1.3566(11) 0.1303(12) 0.1619(11) 0.050 Uiso 1 calc R . 
N4 N 1.1870(8) 0.1431(8) 0.1932(8) 0.046(3) Uani 1 d . . 
C13 C 1.1857(12) 0.0818(11) 0.2798(11) 0.058(4) Uani 1 d . . 
H13A H 1.2619(12) 0.0177(11) 0.2611(11) 0.050 Uiso 1 calc R . 
H13B H 1.1810(12) 0.1282(11) 0.3275(11) 0.050 Uiso 1 calc R . 
C14 C 1.0889(11) 0.0462(11) 0.3246(9) 0.047(3) Uani 1 d . . 
N5 N 0.9821(8) 0.1157(8) 0.3310(7) 0.037(2) Uani 1 d . . 
C15 C 0.8848(12) 0.0889(10) 0.3775(9) 0.047(4) Uani 1 d . . 
C16 C 0.8942(13) -0.0090(12) 0.4178(10) 0.057(4) Uani 1 d . . 
H16 H 0.8261 -0.0256 0.4498 0.050 Uiso 1 calc . . 
C17 C 1.0039(15) -0.0817(12) 0.4105(10) 0.067(4) Uani 1 d . . 
H17 H 1.0109 -0.1486 0.4383 0.050 Uiso 1 calc . . 
C18 C 1.1038(13) -0.0590(11) 0.3634(11) 0.058(4) Uani 1 d . . 
H18 H 1.1798 -0.1101 0.3566 0.050 Uiso 1 calc . . 
C19 C 0.7643(11) 0.1758(11) 0.3870(9) 0.049(4) Uani 1 d . . 
N6 N 0.7617(8) 0.2772(8) 0.3638(7) 0.037(2) Uani 1 d . . 
C20 C 0.6535(11) 0.3593(11) 0.3806(10) 0.049(4) Uani 1 d . . 
C21 C 0.5518(12) 0.3417(14) 0.4097(11) 0.065(5) Uani 1 d . . 
H21 H 0.4790 0.3993 0.4168 0.050 Uiso 1 calc . . 
C22 C 0.5574(13) 0.2370(14) 0.4289(12) 0.072(5) Uani 1 d . . 
H22 H 0.4871 0.2241 0.4501 0.050 Uiso 1 calc . . 
C23 C 0.6627(12) 0.1523(12) 0.4175(12) 0.064(4) Uani 1 d . . 
H23 H 0.6667 0.0811 0.4297 0.050 Uiso 1 calc . . 
C24 C 0.6614(11) 0.4684(11) 0.3590(10) 0.055(4) Uani 1 d . . 
H24A H 0.6843(11) 0.4885(11) 0.4048(10) 0.050 Uiso 1 calc R . 
H24B H 0.5820(11) 0.5236(11) 0.3683(10) 0.050 Uiso 1 calc R . 
C25 C 0.7035(11) 0.4521(12) 0.1891(10) 0.057(4) Uani 1 d . . 
H25A H 0.7045(11) 0.3784(12) 0.1940(10) 0.050 Uiso 1 calc R . 
H25B H 0.6196(11) 0.5040(12) 0.2106(10) 0.050 Uiso 1 calc R . 
C26 C 0.7715(12) 0.4661(12) 0.0860(10) 0.059(4) Uani 1 d . . 
H26A H 0.8578(12) 0.4321(12) 0.0694(10) 0.071 Uiso 1 calc R . 
H26B H 0.7500(12) 0.5441(12) 0.0769(10) 0.071 Uiso 1 calc R . 
N7 N 0.7460(12) 0.4160(14) 0.0182(10) 0.095(5) Uani 1 d . . 
C27 C 0.7471(23) 0.5051(23) -0.0724(20) 0.135(9) Uiso 1 d . . 
C28 C 0.8141(18) 0.3095(18) -0.0225(16) 0.061(6) Uiso 0.70 d P . 
C28' C 0.8221(44) 0.3939(44) -0.0765(39) 0.065(14) Uiso 0.30 d P . 
C29 C 0.9501(16) 0.3000(16) -0.1056(15) 0.049(5) Uiso 0.70 d P . 
C29' C 0.9566(45) 0.3207(44) -0.1643(43) 0.068(15) Uiso 0.30 d P . 
N8 N 0.9963(13) 0.1858(14) -0.1209(9) 0.088(4) Uani 1 d . . 
C30 C 0.9550(19) 0.1409(19) -0.1765(15) 0.120(8) Uani 1 d . . 
H30A H 0.9915(19) 0.0618(19) -0.1805(15) 0.050 Uiso 1 calc R . 
H30B H 0.9784(19) 0.1658(19) -0.2411(15) 0.050 Uiso 1 calc R . 
H30C H 0.8682(19) 0.1657(19) -0.1443(15) 0.050 Uiso 1 calc R . 
C31 C 1.1284(17) 0.1435(17) -0.1757(13) 0.095(6) Uani 1 d . . 
H31A H 1.1471(17) 0.1838(17) -0.2336(13) 0.050 Uiso 1 calc R . 
H31B H 1.1576(17) 0.0669(17) -0.1974(13) 0.050 Uiso 1 calc R . 
C32 C 1.1980(15) 0.1502(15) -0.1220(11) 0.077(5) Uani 1 d . . 
H32A H 1.1714(15) 0.2268(15) -0.1017(11) 0.050 Uiso 1 calc R . 
H32B H 1.2837(15) 0.1233(15) -0.1660(11) 0.050 Uiso 1 calc R . 
N9 N 1.1818(11) 0.0852(10) -0.0345(9) 0.069(4) Uani 1 d . . 
C33 C 1.2207(18) -0.0300(15) -0.0554(15) 0.098(6) Uani 1 d . . 
H33A H 1.1759(18) -0.0404(15) -0.0865(15) 0.050 Uiso 1 calc R . 
H33B H 1.2064(18) -0.0661(15) 0.0042(15) 0.050 Uiso 1 calc R . 
H33C H 1.3058(18) -0.0608(15) -0.0982(15) 0.050 Uiso 1 calc R . 
C34 C 1.2463(13) 0.1065(13) 0.0147(11) 0.069(5) Uani 1 d . . 
H34A H 1.2214(13) 0.1855(13) 0.0227(11) 0.050 Uiso 1 calc R . 
H34B H 1.3328(13) 0.0746(13) -0.0269(11) 0.050 Uiso 1 calc R . 
C35 C 1.2231(12) 0.0596(11) 0.1154(10) 0.057(4) Uani 1 d . . 
H35A H 1.1593(12) 0.0330(11) 0.1336(10) 0.050 Uiso 1 calc R . 
H35B H 1.2962(12) -0.0026(11) 0.1110(10) 0.050 Uiso 1 calc R . 
Cl4 Cl 1.4789(4) 0.0014(4) 0.3435(4) 0.0856(14) Uani 1 d . . 
O41 O 1.4985(17) -0.0008(19) 0.2433(13) 0.136(9) Uani 0.80 d P . 
O42 O 1.3691(14) 0.0692(15) 0.4089(13) 0.138(9) Uani 0.80 d P . 
O43 O 1.4533(37) -0.0956(31) 0.3521(30) 0.258(16) Uani 0.80 d PU . 
O44 O 1.5631(27) 0.0491(32) 0.3104(30) 0.271(17) Uani 0.80 d P . 
O45 O 1.5567(23) -0.0720(25) 0.3719(22) 0.218(15) Uani 0.80 d PU . 
Cl5 Cl 1.4733(8) -0.2409(8) 0.0634(7) 0.165(3) Uiso 1 d . . 
O55 O 1.4332(23) -0.2259(22) 0.0098(21) 0.164(9) Uiso 0.80 d P . 
O51 O 1.3516(47) -0.2279(46) 0.1387(43) 0.359(28) Uiso 0.80 d P . 
O52 O 1.5624(29) -0.2498(31) 0.1177(27) 0.228(14) Uiso 0.80 d P . 
O53 O 1.4871(38) -0.1364(39) 0.0667(34) 0.285(19) Uiso 0.80 d P . 
O54 O 1.5731(52) -0.3600(57) 0.0033(50) 0.401(33) Uiso 0.80 d P . 
O1 O 0.6501(12) 0.3991(15) 0.6117(12) 0.130(6) Uani 1 d . . 
O2 O 0.5416(23) 0.4178(21) 0.1006(18) 0.224(9) Uani 1 d . . 
O3 O 0.6647(21) 0.3894(22) 0.7955(19) 0.212(10) Uani 1 d . . 
O4 O 0.5608(24) 0.2441(20) 0.6870(23) 0.238(12) Uani 1 d . . 
 
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 
Eu 0.0387(3) 0.0323(3) 0.0339(3) 0.0040(2) -0.0171(2) -0.0150(2) 
Cl1 0.068(2) 0.057(2) 0.038(2) -0.0030(14) -0.0189(14) -0.030(2) 
Cl2 0.062(2) 0.065(2) 0.047(2) 0.018(2) -0.0205(15) -0.033(2) 
Cl3 0.078(2) 0.063(2) 0.039(2) 0.0112(14) -0.0303(15) -0.038(2) 
N1 0.047(5) 0.042(6) 0.050(6) 0.008(5) -0.028(4) -0.019(4) 
C1 0.053(6) 0.038(7) 0.069(8) 0.011(6) -0.040(6) -0.015(5) 
C2 0.054(6) 0.045(7) 0.056(8) 0.015(6) -0.028(6) -0.031(5) 
N2 0.045(5) 0.038(5) 0.054(6) 0.006(5) -0.031(4) -0.018(4) 
C3 0.059(6) 0.018(6) 0.040(7) 0.004(5) -0.021(6) -0.019(5) 
C4 0.079(8) 0.039(7) 0.070(9) 0.007(7) -0.033(7) -0.032(6) 
C5 0.086(9) 0.041(8) 0.055(9) -0.006(7) -0.016(8) -0.030(7) 
C6 0.042(6) 0.035(7) 0.068(9) -0.008(6) -0.023(6) -0.011(5) 
C7 0.062(6) 0.033(6) 0.036(6) 0.014(5) -0.025(5) -0.026(5) 
N3 0.039(5) 0.040(6) 0.055(6) 0.006(5) -0.028(4) -0.016(4) 
C8 0.045(6) 0.049(8) 0.075(9) 0.006(7) -0.032(6) -0.018(6) 
C9 0.072(8) 0.055(9) 0.118(12) 0.021(8) -0.069(8) -0.025(7) 
C10 0.058(7) 0.087(11) 0.103(11) 0.021(9) -0.055(7) -0.039(7) 
C11 0.076(7) 0.071(9) 0.059(8) 0.006(7) -0.039(7) -0.043(7) 
C12 0.032(6) 0.059(9) 0.066(9) -0.005(7) -0.008(6) -0.013(6) 
N4 0.042(5) 0.039(6) 0.056(7) 0.005(5) -0.022(5) -0.014(4) 
C13 0.059(7) 0.044(8) 0.083(9) -0.004(7) -0.047(7) -0.011(6) 
C14 0.050(6) 0.045(7) 0.049(7) 0.000(6) -0.029(6) -0.012(6) 
N5 0.044(5) 0.033(5) 0.033(5) 0.001(4) -0.012(4) -0.018(4) 
C15 0.081(8) 0.038(7) 0.026(6) 0.007(5) -0.023(6) -0.026(6) 
C16 0.090(8) 0.055(8) 0.048(8) 0.017(6) -0.040(7) -0.039(7) 
C17 0.126(11) 0.056(8) 0.037(7) 0.028(6) -0.044(7) -0.049(8) 
C18 0.067(8) 0.029(7) 0.067(9) -0.005(6) -0.031(7) -0.005(6) 
C19 0.060(7) 0.062(8) 0.027(7) 0.004(6) -0.009(6) -0.036(6) 
N6 0.042(5) 0.043(6) 0.029(5) 0.001(4) -0.010(4) -0.024(4) 
C20 0.040(6) 0.047(8) 0.050(8) -0.018(6) -0.012(6) -0.011(6) 
C21 0.038(7) 0.076(10) 0.061(9) 0.001(8) -0.010(7) -0.015(7) 
C22 0.056(7) 0.088(11) 0.071(11) -0.003(8) -0.003(8) -0.051(7) 
C23 0.052(7) 0.064(8) 0.084(11) 0.004(8) -0.019(7) -0.040(7) 
C24 0.044(7) 0.052(8) 0.053(8) -0.004(7) -0.021(6) -0.002(6) 
C25 0.064(7) 0.050(8) 0.080(9) 0.005(7) -0.052(7) -0.021(6) 
C26 0.067(7) 0.061(9) 0.065(9) -0.004(7) -0.037(7) -0.028(7) 
N7 0.100(8) 0.155(12) 0.052(8) -0.026(8) -0.019(7) -0.077(9) 
N8 0.121(9) 0.142(12) 0.038(7) 0.017(7) -0.031(7) -0.092(8) 
C30 0.148(15) 0.134(17) 0.091(15) -0.010(13) -0.036(13) -0.080(14) 
C31 0.137(14) 0.098(13) 0.046(10) 0.010(9) -0.019(10) -0.064(11) 
C32 0.080(10) 0.081(11) 0.044(9) -0.002(8) 0.001(8) -0.035(9) 
N9 0.079(8) 0.060(8) 0.046(7) -0.014(6) -0.020(6) -0.010(6) 
C33 0.133(14) 0.082(13) 0.092(13) 0.011(10) -0.057(11) -0.045(11) 
C34 0.057(8) 0.061(9) 0.057(10) -0.021(8) 0.002(8) -0.016(7) 
C35 0.057(8) 0.038(7) 0.064(9) 0.000(7) -0.027(7) -0.005(6) 
Cl4 0.072(2) 0.077(3) 0.093(3) 0.017(2) -0.030(2) -0.023(2) 
O41 0.109(13) 0.183(21) 0.067(11) 0.007(12) -0.028(10) -0.023(13) 
O42 0.071(10) 0.110(13) 0.080(12) -0.001(10) 0.031(9) 0.041(10) 
O43 0.301(28) 0.189(25) 0.275(31) 0.010(24) -0.117(26) -0.091(23) 
O44 0.256(21) 0.345(32) 0.270(37) -0.062(29) -0.044(26) -0.226(22) 
O45 0.145(17) 0.181(22) 0.211(22) 0.074(19) -0.085(17) 0.037(17) 
O1 0.078(8) 0.171(15) 0.113(11) -0.025(10) -0.029(8) -0.027(9) 
O2 0.359(19) 0.236(20) 0.227(20) 0.078(15) -0.189(17) -0.204(17) 
O3 0.245(18) 0.233(23) 0.216(22) 0.002(18) -0.125(17) -0.115(18) 
O4 0.280(22) 0.171(19) 0.301(32) 0.023(19) -0.121(23) -0.128(17) 
 
_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 
Eu N3 2.606(10) . ? 
Eu N5 2.607(10) . ? 
Eu N6 2.610(9) . ? 
Eu N2 2.632(10) . ? 
Eu N4 2.712(9) . ? 
Eu Cl2 2.713(4) . ? 
Eu N1 2.771(9) . ? 
Eu Cl3 2.800(4) . ? 
Eu Cl1 2.820(4) . ? 
N1 C1 1.47(2) . ? 
N1 C24 1.50(2) . ? 
N1 C25 1.50(2) . ? 
C1 C2 1.49(2) . ? 
C2 N2 1.331(15) . ? 
C2 C6 1.37(2) . ? 
N2 C3 1.36(2) . ? 
C3 C4 1.38(2) . ? 
C3 C7 1.47(2) . ? 
C4 C5 1.39(2) . ? 
C5 C6 1.42(2) . ? 
C7 N3 1.34(2) . ? 
C7 C11 1.41(2) . ? 
N3 C8 1.322(14) . ? 
C8 C9 1.40(2) . ? 
C8 C12 1.50(2) . ? 
C9 C10 1.35(2) . ? 
C10 C11 1.38(2) . ? 
C12 N4 1.49(2) . ? 
N4 C13 1.47(2) . ? 
N4 C35 1.50(2) . ? 
C13 C14 1.42(2) . ? 
C14 N5 1.312(15) . ? 
C14 C18 1.43(2) . ? 
N5 C15 1.35(2) . ? 
C15 C16 1.36(2) . ? 
C15 C19 1.51(2) . ? 
C16 C17 1.35(2) . ? 
C17 C18 1.35(2) . ? 
C19 N6 1.35(2) . ? 
C19 C23 1.38(2) . ? 
N6 C20 1.342(15) . ? 
C20 C21 1.34(2) . ? 
C20 C24 1.49(2) . ? 
C21 C22 1.37(2) . ? 
C22 C23 1.35(2) . ? 
C25 C26 1.47(2) . ? 
C26 N7 1.50(2) . ? 
N7 C28' 1.34(5) . ? 
N7 C28 1.37(2) . ? 
N7 C27 1.72(3) . ? 
C27 C28' 1.40(5) . ? 
C27 O54 2.17(6) 1_465 ? 
C28 C28' 1.33(6) . ? 
C28 C29 1.66(3) . ? 
C28' C29 1.55(5) . ? 
C28' C29' 1.66(7) . ? 
C29 C29' 0.88(6) . ? 
C29 N8 1.39(2) . ? 
C29' N8 1.79(6) . ? 
N8 C30 1.47(3) . ? 
N8 C31 1.46(2) . ? 
C31 C32 1.51(3) . ? 
C32 N9 1.49(2) . ? 
N9 C33 1.43(2) . ? 
N9 C34 1.47(2) . ? 
C34 C35 1.54(2) . ? 
Cl4 O45 1.30(2) . ? 
Cl4 O42 1.348(14) . ? 
Cl4 O44 1.39(3) . ? 
Cl4 O41 1.43(2) . ? 
Cl4 O43 1.44(4) . ? 
O43 O45 1.68(5) . ? 
O44 O45 1.79(5) . ? 
Cl5 O55 1.11(3) . ? 
Cl5 O53 1.48(5) . ? 
Cl5 O52 1.68(4) . ? 
Cl5 O51 1.48(5) . ? 
Cl5 O54 1.64(6) . ? 
O54 C27 2.17(6) 1_645 ? 
 
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 
N3 Eu N5 106.6(3) . . ? 
N3 Eu N6 144.4(3) . . ? 
N5 Eu N6 62.6(3) . . ? 
N3 Eu N2 61.1(3) . . ? 
N5 Eu N2 144.1(3) . . ? 
N6 Eu N2 106.4(3) . . ? 
N3 Eu N4 64.1(3) . . ? 
N5 Eu N4 62.7(3) . . ? 
N6 Eu N4 124.2(3) . . ? 
N2 Eu N4 124.2(3) . . ? 
N3 Eu Cl2 76.9(2) . . ? 
N5 Eu Cl2 136.3(2) . . ? 
N6 Eu Cl2 135.7(2) . . ? 
N2 Eu Cl2 76.8(2) . . ? 
N4 Eu Cl2 82.0(2) . . ? 
N3 Eu N1 122.7(3) . . ? 
N5 Eu N1 125.6(3) . . ? 
N6 Eu N1 64.0(3) . . ? 
N2 Eu N1 62.8(3) . . ? 
N4 Eu N1 158.6(3) . . ? 
Cl2 Eu N1 80.4(2) . . ? 
N3 Eu Cl3 71.8(2) . . ? 
N5 Eu Cl3 71.4(2) . . ? 
N6 Eu Cl3 72.6(2) . . ? 
N2 Eu Cl3 72.7(2) . . ? 
N4 Eu Cl3 99.7(3) . . ? 
Cl2 Eu Cl3 143.91(12) . . ? 
N1 Eu Cl3 101.7(2) . . ? 
N3 Eu Cl1 141.6(2) . . ? 
N5 Eu Cl1 72.2(2) . . ? 
N6 Eu Cl1 70.7(2) . . ? 
N2 Eu Cl1 139.6(2) . . ? 
N4 Eu Cl1 83.2(3) . . ? 
Cl2 Eu Cl1 79.15(12) . . ? 
N1 Eu Cl1 81.6(2) . . ? 
Cl3 Eu Cl1 136.94(11) . . ? 
C1 N1 C24 108.3(10) . . ? 
C1 N1 C25 109.8(10) . . ? 
C24 N1 C25 107.1(10) . . ? 
C1 N1 Eu 110.3(7) . . ? 
C24 N1 Eu 100.3(7) . . ? 
C25 N1 Eu 120.1(7) . . ? 
N1 C1 C2 110.6(11) . . ? 
N2 C2 C6 122.5(13) . . ? 
N2 C2 C1 115.0(11) . . ? 
C6 C2 C1 122.2(11) . . ? 
C2 N2 C3 119.5(10) . . ? 
C2 N2 Eu 120.7(8) . . ? 
C3 N2 Eu 115.9(7) . . ? 
N2 C3 C4 121.4(11) . . ? 
N2 C3 C7 115.8(10) . . ? 
C4 C3 C7 122.4(12) . . ? 
C3 C4 C5 119.5(14) . . ? 
C4 C5 C6 118.2(12) . . ? 
C2 C6 C5 118.6(12) . . ? 
N3 C7 C11 122.1(11) . . ? 
N3 C7 C3 116.3(11) . . ? 
C11 C7 C3 121.4(11) . . ? 
C8 N3 C7 118.1(11) . . ? 
C8 N3 Eu 121.7(9) . . ? 
C7 N3 Eu 119.6(7) . . ? 
N3 C8 C9 124.1(13) . . ? 
N3 C8 C12 117.3(12) . . ? 
C9 C8 C12 118.5(11) . . ? 
C10 C9 C8 116.3(12) . . ? 
C9 C10 C11 122.5(14) . . ? 
C10 C11 C7 116.8(13) . . ? 
N4 C12 C8 112.4(10) . . ? 
C13 N4 C12 107.5(11) . . ? 
C13 N4 C35 105.5(10) . . ? 
C12 N4 C35 110.0(10) . . ? 
C13 N4 Eu 102.8(7) . . ? 
C12 N4 Eu 110.8(7) . . ? 
C35 N4 Eu 119.3(8) . . ? 
C14 C13 N4 114.6(11) . . ? 
N5 C14 C13 116.9(12) . . ? 
N5 C14 C18 120.4(12) . . ? 
C13 C14 C18 122.7(12) . . ? 
C14 N5 C15 119.7(11) . . ? 
C14 N5 Eu 118.5(8) . . ? 
C15 N5 Eu 121.7(7) . . ? 
N5 C15 C16 121.9(12) . . ? 
N5 C15 C19 116.4(11) . . ? 
C16 C15 C19 121.7(13) . . ? 
C15 C16 C17 118.9(14) . . ? 
C18 C17 C16 121.1(14) . . ? 
C17 C18 C14 117.9(12) . . ? 
N6 C19 C23 122.3(12) . . ? 
N6 C19 C15 116.1(11) . . ? 
C23 C19 C15 121.7(13) . . ? 
C20 N6 C19 117.8(11) . . ? 
C20 N6 Eu 120.2(8) . . ? 
C19 N6 Eu 121.1(7) . . ? 
N6 C20 C21 122.5(13) . . ? 
N6 C20 C24 112.6(11) . . ? 
C21 C20 C24 124.9(12) . . ? 
C20 C21 C22 118.6(13) . . ? 
C21 C22 C23 121.4(14) . . ? 
C22 C23 C19 117.2(14) . . ? 
C20 C24 N1 112.6(10) . . ? 
C26 C25 N1 114.7(11) . . ? 
C25 C26 N7 112.3(12) . . ? 
C28' N7 C28 58.8(25) . . ? 
C28' N7 C26 120.1(27) . . ? 
C28 N7 C26 122.9(16) . . ? 
C28' N7 C27 52.8(24) . . ? 
C28 N7 C27 109.7(15) . . ? 
C26 N7 C27 104.0(15) . . ? 
C28' C27 N7 49.5(24) . . ? 
C28' C27 O54 147.8(34) . 1_465 ? 
N7 C27 O54 100.3(23) . 1_465 ? 
C28' C28 N7 59.2(24) . . ? 
C28' C28 C29 61.3(23) . . ? 
N7 C28 C29 109.1(17) . . ? 
N7 C28' C28 62.0(27) . . ? 
N7 C28' C27 77.7(29) . . ? 
C28 C28' C27 136.3(41) . . ? 
N7 C28' C29 118.1(40) . . ? 
C28 C28' C29 70.0(26) . . ? 
C27 C28' C29 150.8(44) . . ? 
N7 C28' C29' 149.9(47) . . ? 
C28 C28' C29' 95.1(37) . . ? 
C27 C28' C29' 128.5(45) . . ? 
C29 C28' C29' 31.8(22) . . ? 
C29' C29 N8 101.6(40) . . ? 
C29' C29 C28' 80.9(40) . . ? 
N8 C29 C28' 134.4(26) . . ? 
C29' C29 C28 117.6(39) . . ? 
N8 C29 C28 93.8(15) . . ? 
C28' C29 C28 48.7(22) . . ? 
C29 C29' C28' 67.4(39) . . ? 
C29 C29' N8 49.5(32) . . ? 
C28' C29' N8 103.6(37) . . ? 
C29 N8 C30 117.5(17) . . ? 
C29 N8 C31 109.1(15) . . ? 
C30 N8 C31 105.0(14) . . ? 
C29 N8 C29' 28.9(19) . . ? 
C30 N8 C29' 95.8(23) . . ? 
C31 N8 C29' 99.3(20) . . ? 
N8 C31 C32 116.2(14) . . ? 
C31 C32 N9 112.8(15) . . ? 
C33 N9 C34 112.0(14) . . ? 
C33 N9 C32 114.2(13) . . ? 
C34 N9 C32 106.8(14) . . ? 
N9 C34 C35 113.9(13) . . ? 
N4 C35 C34 112.6(12) . . ? 
O45 Cl4 O42 120.9(16) . . ? 
O45 Cl4 O44 83.2(23) . . ? 
O42 Cl4 O44 112.4(18) . . ? 
O45 Cl4 O41 120.5(16) . . ? 
O42 Cl4 O41 117.6(12) . . ? 
O44 Cl4 O41 84.3(20) . . ? 
O45 Cl4 O43 75.2(22) . . ? 
O42 Cl4 O43 97.6(18) . . ? 
O44 Cl4 O43 149.3(21) . . ? 
O41 Cl4 O43 88.0(20) . . ? 
Cl4 O43 O45 48.5(17) . . ? 
Cl4 O44 O45 46.2(15) . . ? 
Cl4 O45 O43 56.3(18) . . ? 
Cl4 O45 O44 50.6(14) . . ? 
O43 O45 O44 104.0(22) . . ? 
O55 Cl5 O53 102.2(26) . . ? 
O55 Cl5 O52 163.0(22) . . ? 
O53 Cl5 O52 67.1(22) . . ? 
O55 Cl5 O51 86.1(27) . . ? 
O53 Cl5 O51 107.7(28) . . ? 
O52 Cl5 O51 109.3(28) . . ? 
O55 Cl5 O54 88.8(29) . . ? 
O53 Cl5 O54 130.3(29) . . ? 
O52 Cl5 O54 88.9(26) . . ? 
O51 Cl5 O54 121.5(33) . . ? 
C27 O54 Cl5 159.8(42) 1_645 . ? 
 
_refine_diff_density_max    1.325 
_refine_diff_density_min   -2.775 
_refine_diff_density_rms    0.192 



#===END