#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:32:08 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179065 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/27/4302723.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_4302723
loop_
_publ_author_name
'Dirk Burdinski'
'Jeroen A. Pikkemaat'
'Johan Lub'
'Peter de Peinder'
'Lidia Nieto Garrido'
'Thomas Weyhermüller'
_publ_section_title
;
Lanthanide Complexes of Triethylenetetramine Tetra-, Penta-, and
Hexaacetamide Ligands as Paramagnetic Chemical Exchange-Dependent
Saturation Transfer Contrast Agents for Magnetic Resonance Imaging: Nona-
versus Decadentate Coordination
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6692
_journal_page_last               6712
_journal_paper_doi               10.1021/ic900652y
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
'[C23 H39 Eu N9 O5]3+, 3 (Cl O4)-, 3.65 (H2 O)'
_chemical_formula_sum            'C23 H46.3 Cl3 Eu N9 O20.65'
_chemical_formula_weight         1037.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 98.482(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0701(6)
_cell_length_b                   18.7910(6)
_cell_length_c                   13.0930(4)
_cell_measurement_temperature    100(2)
_cell_volume                     3910.5(2)
_computing_cell_refinement       'Bruker SAINT 7.34A'
_computing_data_collection       'Bruker SAINT 7.34A'
_computing_data_reduction        'Bruker SAINT 7.34A'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method
'1678 images at 0.5 deg. stepwise rotation in omega and phi, 43 sec./frame'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode, 50 kV, 40 mA'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_sigmaI/netI    0.0384
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            77466
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.900
_exptl_absorpt_correction_T_max  0.8327
_exptl_absorpt_correction_T_min  0.6738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'transparent parallelepiped'
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         6.528
_refine_diff_density_min         -3.323
_refine_diff_density_rms         0.175
_refine_ls_extinction_coef       0.00032(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         14130
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0117P)²+36.9598P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1338
_reflns_number_gt                12014
_reflns_number_total             14130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900652y_si_002_2.cif
_cod_data_source_block           '[(1bttpam)Eu](ClO4)3*3.65H2O'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4302723
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'
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 0.735258(12) 0.977013(11) 1.170017(17) 0.01594(6) Uani 1 1 d . . .
N1 N 0.6395(2) 0.94820(19) 1.3123(3) 0.0179(6) Uani 1 1 d . . .
C2 C 0.6567(3) 1.0071(2) 1.3902(4) 0.0207(8) Uani 1 1 d . . .
H2A H 0.7161 1.0047 1.4235 0.025 Uiso 1 1 calc R . .
H2B H 0.6205 1.0011 1.4445 0.025 Uiso 1 1 calc R . .
C3 C 0.6396(3) 1.0792(2) 1.3384(4) 0.0208(8) Uani 1 1 d . . .
H3A H 0.5805 1.0805 1.3037 0.025 Uiso 1 1 calc R . .
H3B H 0.6463 1.1167 1.3920 0.025 Uiso 1 1 calc R . .
N4 N 0.6968(2) 1.09512(19) 1.2606(3) 0.0200(7) Uani 1 1 d . . .
C5 C 0.7748(3) 1.1298(2) 1.3161(4) 0.0208(8) Uani 1 1 d . . .
H5A H 0.7936 1.1036 1.3810 0.025 Uiso 1 1 calc R . .
H5B H 0.7614 1.1791 1.3346 0.025 Uiso 1 1 calc R . .
C6 C 0.8463(3) 1.1314(2) 1.2514(4) 0.0206(8) Uani 1 1 d . . .
H6A H 0.8271 1.1553 1.1848 0.025 Uiso 1 1 calc R . .
H6B H 0.8943 1.1587 1.2882 0.025 Uiso 1 1 calc R . .
N7 N 0.8741(2) 1.05691(18) 1.2320(3) 0.0176(6) Uani 1 1 d . . .
C8 C 0.9252(3) 1.0554(2) 1.1457(4) 0.0206(8) Uani 1 1 d . . .
H8A H 0.9783 1.0819 1.1660 0.025 Uiso 1 1 calc R . .
H8B H 0.8937 1.0789 1.0841 0.025 Uiso 1 1 calc R . .
C9 C 0.9448(2) 0.9788(2) 1.1194(3) 0.0183(7) Uani 1 1 d . . .
H9A H 0.9843 0.9786 1.0682 0.022 Uiso 1 1 calc R . .
H9B H 0.9725 0.9544 1.1825 0.022 Uiso 1 1 calc R . .
N10 N 0.8671(2) 0.93916(18) 1.0768(3) 0.0170(6) Uani 1 1 d . . .
C11 C 0.6677(3) 0.8788(2) 1.3586(3) 0.0196(8) Uani 1 1 d . . .
H11A H 0.6233 0.8580 1.3944 0.023 Uiso 1 1 calc R . .
H11B H 0.7190 0.8853 1.4097 0.023 Uiso 1 1 calc R . .
C12 C 0.6863(3) 0.8290(2) 1.2723(4) 0.0204(8) Uani 1 1 d . . .
O13 O 0.6978(2) 0.85416(17) 1.1861(3) 0.0215(6) Uani 1 1 d . . .
N14 N 0.6924(3) 0.7604(2) 1.2934(4) 0.0290(9) Uani 1 1 d . . .
H14A H 0.7048 0.7303 1.2465 0.035 Uiso 1 1 calc R . .
H14B H 0.6839 0.7448 1.3544 0.035 Uiso 1 1 calc R . .
C21 C 0.5487(3) 0.9434(2) 1.2701(4) 0.0205(8) Uani 1 1 d . . .
H21A H 0.5158 0.9695 1.3164 0.025 Uiso 1 1 calc R . .
H21B H 0.5311 0.8928 1.2693 0.025 Uiso 1 1 calc R . .
C22 C 0.5280(3) 0.9734(2) 1.1618(3) 0.0193(7) Uani 1 1 d . . .
O23 O 0.58577(19) 0.99454(17) 1.1128(3) 0.0211(6) Uani 1 1 d . . .
N24 N 0.4482(2) 0.9749(2) 1.1208(3) 0.0259(8) Uani 1 1 d . . .
H24A H 0.4336 0.9909 1.0575 0.031 Uiso 1 1 calc R . .
H24B H 0.4094 0.9599 1.1566 0.031 Uiso 1 1 calc R . .
C31 C 0.6546(3) 1.1445(2) 1.1791(4) 0.0235(8) Uani 1 1 d . . .
H31A H 0.6663 1.1943 1.2016 0.028 Uiso 1 1 calc R . .
H31B H 0.5930 1.1371 1.1713 0.028 Uiso 1 1 calc R . .
C32 C 0.6842(3) 1.1333(2) 1.0755(4) 0.0246(9) Uani 1 1 d . . .
O33 O 0.7258(2) 1.07880(17) 1.0581(3) 0.0231(6) Uani 1 1 d . . .
N34 N 0.6619(3) 1.1819(2) 1.0040(4) 0.0363(11) Uani 1 1 d . . .
H34A H 0.6762 1.1769 0.9420 0.044 Uiso 1 1 calc R . .
H34B H 0.6329 1.2194 1.0182 0.044 Uiso 1 1 calc R . .
C41 C 0.9253(3) 1.0287(2) 1.3276(3) 0.0197(7) Uani 1 1 d . . .
H41A H 0.9160 1.0585 1.3873 0.024 Uiso 1 1 calc R . .
H41B H 0.9858 1.0314 1.3206 0.024 Uiso 1 1 calc R . .
C42 C 0.9023(3) 0.9526(2) 1.3472(3) 0.0199(8) Uani 1 1 d . . .
O43 O 0.83006(19) 0.93004(17) 1.3126(2) 0.0200(6) Uani 1 1 d . . .
N44 N 0.9598(2) 0.9132(2) 1.4053(3) 0.0220(7) Uani 1 1 d . . .
H44A H 0.9479 0.8692 1.4211 0.026 Uiso 1 1 calc R . .
H44B H 1.0097 0.9312 1.4279 0.026 Uiso 1 1 calc R . .
C51 C 0.8422(3) 0.9578(2) 0.9661(3) 0.0176(7) Uani 1 1 d . . .
H51A H 0.8801 0.9338 0.9239 0.021 Uiso 1 1 calc R . .
H51B H 0.8473 1.0098 0.9568 0.021 Uiso 1 1 calc R . .
C52 C 0.7523(3) 0.9348(2) 0.9306(3) 0.0176(7) Uani 1 1 d . . .
O53 O 0.70134(19) 0.93194(17) 0.9953(2) 0.0200(6) Uani 1 1 d . . .
N54 N 0.7305(2) 0.9192(2) 0.8321(3) 0.0235(7) Uani 1 1 d . . .
H54A H 0.6785 0.9061 0.8090 0.028 Uiso 1 1 calc R . .
H54B H 0.7679 0.9218 0.7895 0.028 Uiso 1 1 calc R . .
C61 C 0.8789(3) 0.8596(2) 1.0902(4) 0.0192(8) Uani 1 1 d . . .
H61A H 0.8249 0.8360 1.0641 0.023 Uiso 1 1 calc R . .
H61B H 0.8920 0.8492 1.1649 0.023 Uiso 1 1 calc R . .
C62 C 0.9481(3) 0.8262(2) 1.0358(4) 0.0212(8) Uani 1 1 d . . .
C63 C 1.0311(3) 0.8230(2) 1.0864(4) 0.0269(10) Uani 1 1 d . . .
H63 H 1.0456 0.8439 1.1528 0.032 Uiso 1 1 calc R . .
C64 C 1.0925(3) 0.7888(3) 1.0388(5) 0.0367(13) Uani 1 1 d . . .
H64 H 1.1486 0.7861 1.0737 0.044 Uiso 1 1 calc R . .
C65 C 1.0727(4) 0.7584(3) 0.9399(5) 0.0359(13) Uani 1 1 d . . .
H65 H 1.1147 0.7348 0.9086 0.043 Uiso 1 1 calc R . .
C66 C 0.9908(4) 0.7635(2) 0.8888(5) 0.0314(11) Uani 1 1 d . . .
H66 H 0.9768 0.7444 0.8213 0.038 Uiso 1 1 calc R . .
C67 C 0.9287(3) 0.7968(2) 0.9366(4) 0.0249(9) Uani 1 1 d . . .
H67 H 0.8727 0.7995 0.9014 0.030 Uiso 1 1 calc R . .
Cl7 Cl 0.87084(6) 0.84824(5) 0.63742(9) 0.02066(19) Uani 1 1 d D . .
O71 O 0.95914(19) 0.83379(18) 0.6382(3) 0.0285(7) Uani 1 1 d D . .
O72 O 0.8310(3) 0.79140(19) 0.6861(4) 0.0393(10) Uani 1 1 d D . .
O73 O 0.8623(3) 0.9138(2) 0.6952(4) 0.0495(13) Uani 1 1 d D . .
O74 O 0.8315(3) 0.8562(4) 0.5324(3) 0.0657(18) Uani 1 1 d D . .
Cl8 Cl 0.72958(19) 1.12157(17) 0.7298(3) 0.0308(6) Uani 0.664(5) 1 d PD A 1
O81 O 0.8004(4) 1.0805(4) 0.7793(7) 0.0526(19) Uani 0.664(5) 1 d PD A 1
O82 O 0.7454(5) 1.1418(4) 0.6269(5) 0.0520(18) Uani 0.664(5) 1 d PD A 1
O83 O 0.7182(5) 1.1851(3) 0.7900(6) 0.0509(17) Uani 0.664(5) 1 d PD A 1
O84 O 0.6546(4) 1.0788(4) 0.7202(6) 0.0512(17) Uani 0.664(5) 1 d PD A 1
O400 O 0.5332(6) 1.2704(5) 1.0884(8) 0.0539(19) Uani 0.586(10) 1 d P B 1
Cl8X Cl 0.7546(4) 1.1208(4) 0.7361(6) 0.0308(6) Uani 0.336(5) 1 d PD A 2
O81X O 0.8278(8) 1.0770(9) 0.7688(15) 0.0526(19) Uani 0.336(5) 1 d PD A 2
O82X O 0.7249(9) 1.1077(8) 0.6279(8) 0.0520(18) Uani 0.336(5) 1 d PD A 2
O83X O 0.7768(9) 1.1960(5) 0.7475(11) 0.0509(17) Uani 0.336(5) 1 d PD A 2
O84X O 0.6910(7) 1.1039(7) 0.7988(10) 0.0512(17) Uani 0.336(5) 1 d PD A 2
O405 O 0.5802(9) 1.3018(7) 1.0837(11) 0.0539(19) Uani 0.414(10) 1 d P B 2
Cl9 Cl 0.4371(2) 1.3556(2) 0.8684(3) 0.0263(7) Uani 0.359(3) 1 d PD C 1
O91 O 0.4392(13) 1.3919(10) 0.7712(8) 0.0306(14) Uani 0.359(3) 1 d PD C 1
O92 O 0.4767(10) 1.3981(8) 0.9542(9) 0.0332(15) Uani 0.359(3) 1 d PD C 1
O93 O 0.4844(8) 1.2889(5) 0.8667(10) 0.054(2) Uani 0.359(3) 1 d PD C 1
O94 O 0.3511(6) 1.3401(9) 0.8788(12) 0.052(3) Uani 0.359(3) 1 d PD C 1
Cl9X Cl 0.4150(6) 1.3969(4) 0.8819(7) 0.0263(7) Uani 0.246(5) 1 d PD D 2
O91X O 0.4437(15) 1.3720(11) 0.7880(12) 0.0306(14) Uani 0.246(5) 1 d PD D 2
O92X O 0.4827(13) 1.3961(12) 0.9679(15) 0.0332(15) Uani 0.246(5) 1 d PD D 2
O93X O 0.3884(12) 1.4712(6) 0.8646(14) 0.054(2) Uani 0.246(5) 1 d PD D 2
O94X O 0.3460(11) 1.3531(11) 0.9017(18) 0.052(3) Uani 0.246(5) 1 d PD D 2
Cl9Y Cl 0.4213(3) 1.3818(3) 0.8830(4) 0.0263(7) Uani 0.394(5) 1 d PD E 3
O91Y O 0.4361(11) 1.3893(9) 0.7767(7) 0.0306(14) Uani 0.394(5) 1 d PD E 3
O92Y O 0.4745(6) 1.4303(5) 0.9486(8) 0.0332(15) Uani 0.394(5) 1 d PD E 3
O93Y O 0.4439(9) 1.3092(4) 0.9170(9) 0.054(2) Uani 0.394(5) 1 d PD E 3
O94Y O 0.3345(5) 1.3956(7) 0.8890(9) 0.052(3) Uani 0.394(5) 1 d PD E 3
O300 O 0.5370(6) 1.2195(4) 0.7989(6) 0.058(2) Uani 0.65 1 d P F 3
O100 O 0.8664(2) 1.0389(2) 0.5556(3) 0.0312(8) Uani 1 1 d . . .
O200 O 0.6269(5) 0.7909(4) 0.9742(5) 0.099(3) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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
O43 Eu1 O33 138.11(11) . . ?
O43 Eu1 O13 73.55(11) . . ?
O33 Eu1 O13 145.57(12) . . ?
O43 Eu1 O53 129.39(11) . . ?
O33 Eu1 O53 73.58(11) . . ?
O13 Eu1 O53 73.89(11) . . ?
O43 Eu1 O23 140.86(11) . . ?
O33 Eu1 O23 74.54(11) . . ?
O13 Eu1 O23 84.72(11) . . ?
O53 Eu1 O23 71.47(11) . . ?
O43 Eu1 N4 97.13(12) . . ?
O33 Eu1 N4 66.75(12) . . ?
O13 Eu1 N4 133.80(11) . . ?
O53 Eu1 N4 133.19(12) . . ?
O23 Eu1 N4 74.80(11) . . ?
O43 Eu1 N1 75.21(11) . . ?
O33 Eu1 N1 127.08(11) . . ?
O13 Eu1 N1 64.01(11) . . ?
O53 Eu1 N1 121.37(11) . . ?
O23 Eu1 N1 66.00(11) . . ?
N4 Eu1 N1 69.84(11) . . ?
O43 Eu1 N10 78.66(11) . . ?
O33 Eu1 N10 85.23(11) . . ?
O13 Eu1 N10 90.58(10) . . ?
O53 Eu1 N10 64.06(11) . . ?
O23 Eu1 N10 134.76(11) . . ?
N4 Eu1 N10 132.80(11) . . ?
N1 Eu1 N10 147.66(11) . . ?
O43 Eu1 N7 64.56(10) . . ?
O33 Eu1 N7 73.55(11) . . ?
O13 Eu1 N7 135.35(11) . . ?
O53 Eu1 N7 122.43(11) . . ?
O23 Eu1 N7 138.51(11) . . ?
N4 Eu1 N7 68.63(11) . . ?
N1 Eu1 N7 116.19(11) . . ?
N10 Eu1 N7 67.31(11) . . ?
O43 Eu1 C12 61.73(11) . . ?
O33 Eu1 C12 160.16(12) . . ?
O13 Eu1 C12 19.62(11) . . ?
O53 Eu1 C12 93.19(11) . . ?
O23 Eu1 C12 87.38(11) . . ?
N4 Eu1 C12 116.81(12) . . ?
N1 Eu1 C12 47.86(11) . . ?
N10 Eu1 C12 102.50(10) . . ?
N7 Eu1 C12 126.29(11) . . ?
O43 Eu1 C32 136.58(12) . . ?
O33 Eu1 C32 19.35(12) . . ?
O13 Eu1 C32 148.23(12) . . ?
O53 Eu1 C32 86.97(12) . . ?
O23 Eu1 C32 64.97(11) . . ?
N4 Eu1 C32 49.14(13) . . ?
N1 Eu1 C32 108.28(12) . . ?
N10 Eu1 C32 103.77(12) . . ?
N7 Eu1 C32 76.35(11) . . ?
C12 Eu1 C32 150.79(11) . . ?
C11 N1 C21 108.9(3) . . ?
C11 N1 C2 110.9(3) . . ?
C21 N1 C2 111.7(3) . . ?
C11 N1 Eu1 107.1(2) . . ?
C21 N1 Eu1 113.1(3) . . ?
C2 N1 Eu1 105.1(2) . . ?
N1 C2 C3 110.5(4) . . ?
N4 C3 C2 113.1(3) . . ?
C31 N4 C3 110.4(3) . . ?
C31 N4 C5 109.5(3) . . ?
C3 N4 C5 108.0(4) . . ?
C31 N4 Eu1 108.3(3) . . ?
C3 N4 Eu1 110.2(2) . . ?
C5 N4 Eu1 110.4(2) . . ?
N4 C5 C6 112.5(4) . . ?
N7 C6 C5 110.0(3) . . ?
C41 N7 C8 109.4(3) . . ?
C41 N7 C6 109.3(3) . . ?
C8 N7 C6 110.9(3) . . ?
C41 N7 Eu1 112.5(2) . . ?
C8 N7 Eu1 106.4(3) . . ?
C6 N7 Eu1 108.3(2) . . ?
N7 C8 C9 110.1(3) . . ?
N10 C9 C8 111.5(3) . . ?
C51 N10 C9 109.8(3) . . ?
C51 N10 C61 110.9(3) . . ?
C9 N10 C61 111.5(3) . . ?
C51 N10 Eu1 105.2(2) . . ?
C9 N10 Eu1 111.7(2) . . ?
C61 N10 Eu1 107.6(2) . . ?
N1 C11 C12 108.5(4) . . ?
O13 C12 N14 122.5(4) . . ?
O13 C12 C11 120.1(4) . . ?
N14 C12 C11 117.3(4) . . ?
O13 C12 Eu1 39.7(2) . . ?
N14 C12 Eu1 155.8(3) . . ?
C11 C12 Eu1 82.3(2) . . ?
C12 O13 Eu1 120.6(3) . . ?
N1 C21 C22 113.1(3) . . ?
O23 C22 N24 121.9(4) . . ?
O23 C22 C21 120.9(4) . . ?
N24 C22 C21 117.2(4) . . ?
C22 O23 Eu1 124.5(3) . . ?
N4 C31 C32 112.4(4) . . ?
O33 C32 N34 121.9(5) . . ?
O33 C32 C31 121.2(4) . . ?
N34 C32 C31 116.8(4) . . ?
O33 C32 Eu1 39.1(2) . . ?
N34 C32 Eu1 157.6(4) . . ?
C31 C32 Eu1 83.1(2) . . ?
C32 O33 Eu1 121.6(3) . . ?
N7 C41 C42 111.2(3) . . ?
O43 C42 N44 123.1(4) . . ?
O43 C42 C41 119.6(4) . . ?
N44 C42 C41 117.2(4) . . ?
C42 O43 Eu1 127.2(3) . . ?
N10 C51 C52 109.9(3) . . ?
O53 C52 N54 122.8(4) . . ?
O53 C52 C51 119.3(4) . . ?
N54 C52 C51 117.9(4) . . ?
C52 O53 Eu1 122.7(3) . . ?
N10 C61 C62 115.8(3) . . ?
C63 C62 C67 119.2(4) . . ?
C63 C62 C61 120.0(4) . . ?
C67 C62 C61 120.7(4) . . ?
C64 C63 C62 119.6(5) . . ?
C63 C64 C65 121.1(5) . . ?
C66 C65 C64 119.0(5) . . ?
C65 C66 C67 120.2(5) . . ?
C66 C67 C62 120.9(5) . . ?
O74 Cl7 O72 109.9(3) . . ?
O74 Cl7 O71 108.7(2) . . ?
O72 Cl7 O71 110.9(2) . . ?
O74 Cl7 O73 110.3(4) . . ?
O72 Cl7 O73 108.3(2) . . ?
O71 Cl7 O73 108.8(2) . . ?
O84 Cl8 O81 109.5(5) . . ?
O84 Cl8 O83 109.6(4) . . ?
O81 Cl8 O83 110.4(5) . . ?
O84 Cl8 O82 108.8(5) . . ?
O81 Cl8 O82 108.7(4) . . ?
O83 Cl8 O82 109.8(5) . . ?
O84X Cl8X O82X 111.1(8) . . ?
O84X Cl8X O81X 108.7(8) . . ?
O82X Cl8X O81X 109.2(8) . . ?
O84X Cl8X O83X 109.8(8) . . ?
O82X Cl8X O83X 107.8(8) . . ?
O81X Cl8X O83X 110.2(8) . . ?
O94 Cl9 O92 110.8(7) . . ?
O94 Cl9 O91 109.0(8) . . ?
O92 Cl9 O91 110.9(8) . . ?
O94 Cl9 O93 109.6(8) . . ?
O92 Cl9 O93 108.3(8) . . ?
O91 Cl9 O93 108.1(8) . . ?
O94X Cl9X O92X 111.4(9) . . ?
O94X Cl9X O91X 108.6(9) . . ?
O92X Cl9X O91X 111.0(9) . . ?
O94X Cl9X O93X 111.0(10) . . ?
O92X Cl9X O93X 107.4(9) . . ?
O91X Cl9X O93X 107.3(9) . . ?
O94Y Cl9Y O92Y 110.4(7) . . ?
O94Y Cl9Y O91Y 109.5(7) . . ?
O92Y Cl9Y O91Y 110.0(7) . . ?
O94Y Cl9Y O93Y 110.6(7) . . ?
O92Y Cl9Y O93Y 108.0(7) . . ?
O91Y Cl9Y O93Y 108.3(8) . . ?
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 O43 2.397(3) . ?
Eu1 O33 2.401(3) . ?
Eu1 O13 2.403(3) . ?
Eu1 O53 2.425(3) . ?
Eu1 O23 2.431(3) . ?
Eu1 N4 2.632(4) . ?
Eu1 N1 2.642(4) . ?
Eu1 N10 2.692(3) . ?
Eu1 N7 2.712(4) . ?
Eu1 C12 3.233(4) . ?
Eu1 C32 3.245(5) . ?
N1 C11 1.481(5) . ?
N1 C21 1.486(5) . ?
N1 C2 1.502(6) . ?
C2 C3 1.522(6) . ?
C3 N4 1.501(6) . ?
N4 C31 1.498(6) . ?
N4 C5 1.502(6) . ?
C5 C6 1.525(6) . ?
C6 N7 1.501(5) . ?
N7 C41 1.491(6) . ?
N7 C8 1.492(6) . ?
C8 C9 1.525(6) . ?
C9 N10 1.489(5) . ?
N10 C51 1.487(6) . ?
N10 C61 1.513(5) . ?
C11 C12 1.530(6) . ?
C12 O13 1.262(5) . ?
C12 N14 1.319(6) . ?
C21 C22 1.516(6) . ?
C22 O23 1.269(5) . ?
C22 N24 1.315(5) . ?
C31 C32 1.517(7) . ?
C32 O33 1.262(6) . ?
C32 N34 1.319(6) . ?
C41 C42 1.509(6) . ?
C42 O43 1.256(5) . ?
C42 N44 1.330(6) . ?
C51 C52 1.514(6) . ?
C52 O53 1.263(5) . ?
C52 N54 1.319(6) . ?
C61 C62 1.540(6) . ?
C62 C63 1.400(7) . ?
C62 C67 1.403(7) . ?
C63 C64 1.400(7) . ?
C64 C65 1.408(9) . ?
C65 C66 1.389(9) . ?
C66 C67 1.401(6) . ?
Cl7 O74 1.433(4) . ?
Cl7 O72 1.441(3) . ?
Cl7 O71 1.443(3) . ?
Cl7 O73 1.464(4) . ?
Cl8 O84 1.438(5) . ?
Cl8 O81 1.446(6) . ?
Cl8 O83 1.457(5) . ?
Cl8 O82 1.458(5) . ?
Cl8X O84X 1.439(7) . ?
Cl8X O82X 1.448(7) . ?
Cl8X O81X 1.448(7) . ?
Cl8X O83X 1.458(7) . ?
Cl9 O94 1.438(7) . ?
Cl9 O92 1.447(7) . ?
Cl9 O91 1.449(7) . ?
Cl9 O93 1.466(7) . ?
Cl9X O94X 1.435(7) . ?
Cl9X O92X 1.446(8) . ?
Cl9X O91X 1.452(7) . ?
Cl9X O93X 1.467(8) . ?
Cl9Y O94Y 1.432(7) . ?
Cl9Y O92Y 1.443(7) . ?
Cl9Y O91Y 1.453(6) . ?
Cl9Y O93Y 1.464(7) . ?
