#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:56:39 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233910 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/60/7236096.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_7236096
loop_
_publ_author_name
'Seth, Soana'
'Savitha, Govardhan'
'Moorthy, Jarugu Narasimha'
_publ_section_title
;
 Diverse isostructural MOFs by postsynthetic metal node metathesis:
 anionic-to-cationic framework conversion, luminescence and separation of
 dyes
;
_journal_issue                   45
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              22915
_journal_paper_doi               10.1039/C5TA04551G
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C94 H74 Cd1.68 Eu1.32 N2 O26, C3 H7 N O'
_chemical_formula_sum            'C97 H81 Cd1.68 Eu1.32 N3 O27'
_chemical_formula_weight         2110.18
_chemical_name_systematic
3,3',5,5'-tetrakis(p-carboxyphenyl)-2,2',6,6'-tetramethoxy-1,1'-biphenyl
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/5
_audit_update_record
;
2015-02-06 deposited with the CCDC.
2015-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                100.536(2)
_cell_angle_beta                 95.130(2)
_cell_angle_gamma                109.615(2)
_cell_formula_units_Z            2
_cell_length_a                   15.970(2)
_cell_length_b                   18.597(3)
_cell_length_c                   28.434(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     7716.2(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/5 (Sheldrick, 2014)'
_computing_structure_solution    SHELX-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.600
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0689
_diffrn_reflns_Laue_measured_fraction_full 0.600
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            28723
_diffrn_reflns_point_group_measured_fraction_full 0.600
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         21.202
_diffrn_reflns_theta_min         2.042
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2131
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.569
_refine_diff_density_min         -2.972
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1183
_refine_ls_number_reflns         16735
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0822
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0725P)²+77.6205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2001
_refine_ls_wR_factor_ref         0.2081
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13235
_reflns_number_total             16735
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ta04551g2.cif
_cod_data_source_block           Eu@MOF
_cod_database_code               7236096
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014/5
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1S C 0.0700(15) 0.0527(11) 0.1532(7) 0.114(6) Uani 1 1 d . . .
H1S H 0.0349 0.0788 0.1417 0.137 Uiso 1 1 calc R U .
C2S C -0.0335(15) -0.0729(15) 0.0933(8) 0.174(11) Uani 1 1 d . . .
H2SA H -0.0578 -0.1265 0.0960 0.261 Uiso 1 1 calc R U .
H2SB H -0.0180 -0.0712 0.0616 0.261 Uiso 1 1 calc R U .
H2SC H -0.0776 -0.0490 0.0984 0.261 Uiso 1 1 calc R U .
C3 C -0.1841(8) 0.0806(7) 0.1829(4) 0.046(3) Uani 1 1 d . . .
H3 H -0.2025 0.1225 0.1807 0.055 Uiso 1 1 calc R U .
C3S C 0.0993(15) -0.0778(11) 0.1471(7) 0.127(7) Uani 1 1 d . . .
H3SA H 0.1169 -0.1037 0.1194 0.191 Uiso 1 1 calc R U .
H3SB H 0.0604 -0.1164 0.1615 0.191 Uiso 1 1 calc R U .
H3SC H 0.1519 -0.0454 0.1703 0.191 Uiso 1 1 calc R U .
C4 C -0.2365(8) 0.0056(7) 0.1586(4) 0.051(3) Uani 1 1 d . . .
H4 H -0.2892 -0.0025 0.1382 0.061 Uiso 1 1 calc R U .
C4S C 0.6026(18) 0.2734(11) 0.1886(10) 0.196(14) Uani 1 1 d . . .
H4SA H 0.6060 0.3181 0.1753 0.294 Uiso 1 1 calc R U .
H4SB H 0.6344 0.2909 0.2213 0.294 Uiso 1 1 calc R U .
H4SC H 0.5407 0.2430 0.1884 0.294 Uiso 1 1 calc R U .
C5S C 0.5953(14) 0.1514(15) 0.1464(7) 0.109(7) Uani 1 1 d . . .
H5S H 0.5377 0.1339 0.1542 0.131 Uiso 1 1 calc R U .
C6 C -0.1387(8) -0.0454(7) 0.1948(4) 0.050(3) Uani 1 1 d . . .
H6 H -0.1259 -0.0886 0.2005 0.060 Uiso 1 1 calc R U .
C6S C 0.7313(16) 0.2569(11) 0.1434(11) 0.205(15) Uani 1 1 d . . .
H6SA H 0.7237 0.2385 0.1089 0.308 Uiso 1 1 calc R U .
H6SB H 0.7730 0.2383 0.1591 0.308 Uiso 1 1 calc R U .
H6SC H 0.7541 0.3132 0.1515 0.308 Uiso 1 1 calc R U .
C7 C -0.0819(7) 0.0273(6) 0.2181(4) 0.037(3) Uani 1 1 d . . .
H7 H -0.0299 0.0337 0.2386 0.045 Uiso 1 1 calc R U .
C8 C -0.2670(6) -0.1378(5) 0.1310(3) 0.030(2) Uani 1 1 d . . .
C9 C -0.2869(6) -0.1431(6) 0.0824(4) 0.036(3) Uani 1 1 d . . .
H9 H -0.2750 -0.0971 0.0714 0.043 Uiso 1 1 calc R U .
C10 C -0.3241(7) -0.2142(6) 0.0488(3) 0.034(3) Uani 1 1 d . . .
C11 C -0.3425(7) -0.2817(5) 0.0648(3) 0.034(3) Uani 1 1 d . . .
C12 C -0.3280(6) -0.2792(5) 0.1139(3) 0.025(2) Uani 1 1 d . . .
C13 C -0.2886(7) -0.2073(6) 0.1472(3) 0.032(2) Uani 1 1 d . . .
C14 C -0.3321(7) -0.2111(6) -0.0036(4) 0.038(3) Uani 1 1 d . . .
C15 C -0.3786(8) -0.1673(7) -0.0204(4) 0.054(3) Uani 1 1 d . . .
H15 H -0.4110 -0.1453 -0.0006 0.065 Uiso 1 1 calc R U .
C16 C -0.3754(8) -0.1571(8) -0.0686(4) 0.058(3) Uani 1 1 d . . .
H16 H -0.4041 -0.1261 -0.0799 0.070 Uiso 1 1 calc R U .
C17 C -0.3313(7) -0.1918(6) -0.0987(4) 0.034(3) Uani 1 1 d . . .
C18 C -0.2874(8) -0.2346(6) -0.0815(4) 0.049(3) Uani 1 1 d . . .
H18 H -0.2560 -0.2572 -0.1018 0.059 Uiso 1 1 calc R U .
C19 C -0.2871(8) -0.2464(6) -0.0343(4) 0.049(3) Uani 1 1 d . . .
H19 H -0.2575 -0.2773 -0.0237 0.058 Uiso 1 1 calc R U .
C20 C -0.3296(8) -0.1775(7) -0.1479(4) 0.041(3) Uani 1 1 d . . .
C21 C -0.3456(12) -0.4067(10) 0.0250(6) 0.097(5) Uani 1 1 d . . .
H21A H -0.2841 -0.3851 0.0410 0.146 Uiso 1 1 calc R U .
H21B H -0.3476 -0.4247 -0.0091 0.146 Uiso 1 1 calc R U .
H21C H -0.3786 -0.4499 0.0381 0.146 Uiso 1 1 calc R U .
C22 C -0.3358(9) -0.1899(7) 0.2219(4) 0.051(3) Uani 1 1 d . . .
H22A H -0.3183 -0.1878 0.2554 0.077 Uiso 1 1 calc R U .
H22B H -0.3940 -0.2300 0.2100 0.077 Uiso 1 1 calc R U .
H22C H -0.3383 -0.1402 0.2185 0.077 Uiso 1 1 calc R U .
C23 C -0.5705(8) -0.3880(7) 0.0924(4) 0.061(4) Uani 1 1 d . . .
H23A H -0.6248 -0.3786 0.0976 0.091 Uiso 1 1 calc R U .
H23B H -0.5816 -0.4430 0.0879 0.091 Uiso 1 1 calc R U .
H23C H -0.5510 -0.3707 0.0640 0.091 Uiso 1 1 calc R U .
C24 C -0.1401(8) -0.3079(7) 0.1769(5) 0.061(4) Uani 1 1 d . . .
H24A H -0.0817 -0.2938 0.1673 0.092 Uiso 1 1 calc R U .
H24B H -0.1423 -0.3382 0.2010 0.092 Uiso 1 1 calc R U .
H24C H -0.1513 -0.2612 0.1901 0.092 Uiso 1 1 calc R U .
C25 C -0.3554(7) -0.3514(6) 0.1338(3) 0.032(2) Uani 1 1 d . . .
C26 C -0.4425(6) -0.3836(6) 0.1434(3) 0.031(2) Uani 1 1 d . . .
C27 C -0.4673(6) -0.4461(5) 0.1651(3) 0.030(2) Uani 1 1 d . . .
C28 C -0.4039(8) -0.4803(6) 0.1746(4) 0.042(3) Uani 1 1 d . . .
H28 H -0.4215 -0.5247 0.1873 0.050 Uiso 1 1 calc R U .
C29 C -0.3169(7) -0.4517(5) 0.1660(4) 0.031(2) Uani 1 1 d . . .
C30 C -0.2933(7) -0.3859(6) 0.1458(4) 0.036(3) Uani 1 1 d . . .
C32 C -0.6050(7) -0.5593(6) 0.1658(4) 0.038(3) Uani 1 1 d . . .
H32 H -0.5822 -0.5916 0.1462 0.046 Uiso 1 1 calc R U .
C8S C 0.0470(15) 0.2347(12) 0.1388(7) 0.118(7) Uani 1 1 d . . .
H8S H 0.0348 0.2693 0.1629 0.142 Uiso 1 1 calc R U .
C33 C -0.6857(7) -0.5925(6) 0.1822(4) 0.039(3) Uani 1 1 d . . .
H33 H -0.7177 -0.6461 0.1723 0.046 Uiso 1 1 calc R U .
C35 C -0.6729(7) -0.4653(6) 0.2247(4) 0.041(3) Uani 1 1 d . . .
H35 H -0.6956 -0.4335 0.2448 0.049 Uiso 1 1 calc R U .
C34 C -0.5928(7) -0.4319(6) 0.2064(4) 0.040(3) Uani 1 1 d . . .
H34 H -0.5633 -0.3779 0.2134 0.048 Uiso 1 1 calc R U .
C37 C -0.7999(7) -0.5844(6) 0.2349(4) 0.032(2) Uani 1 1 d . . .
C38 C -0.2507(7) -0.4869(6) 0.1813(4) 0.033(3) Uani 1 1 d . . .
C39 C -0.2495(6) -0.5064(6) 0.2257(4) 0.034(3) Uani 1 1 d . . .
H39 H -0.2902 -0.4973 0.2453 0.041 Uiso 1 1 calc R U .
C40 C -0.1908(7) -0.5384(6) 0.2417(4) 0.039(3) Uani 1 1 d . . .
H40 H -0.1904 -0.5501 0.2721 0.047 Uiso 1 1 calc R U .
C41 C -0.1307(7) -0.5538(6) 0.2117(4) 0.039(3) Uani 1 1 d . . .
C42 C -0.1354(7) -0.5391(6) 0.1661(4) 0.041(3) Uani 1 1 d . . .
H42 H -0.0986 -0.5521 0.1451 0.049 Uiso 1 1 calc R U .
C43 C -0.1942(7) -0.5053(6) 0.1514(4) 0.042(3) Uani 1 1 d . . .
H43 H -0.1959 -0.4945 0.1207 0.050 Uiso 1 1 calc R U .
C44 C -0.0657(7) -0.5905(6) 0.2288(4) 0.036(3) Uani 1 1 d . . .
C45 C 0.2255(8) 0.0725(6) 0.2692(4) 0.041(3) Uani 1 1 d . . .
C46 C 0.1413(7) 0.0353(6) 0.2898(4) 0.037(3) Uani 1 1 d . . .
C47 C 0.1084(7) 0.0825(6) 0.3203(4) 0.038(3) Uani 1 1 d . . .
H47 H 0.1385 0.1365 0.3283 0.046 Uiso 1 1 calc R U .
C48 C 0.0307(8) 0.0496(6) 0.3389(4) 0.045(3) Uani 1 1 d . . .
H48 H 0.0092 0.0814 0.3599 0.054 Uiso 1 1 calc R U .
C49 C -0.0141(7) -0.0296(6) 0.3265(4) 0.037(3) Uani 1 1 d . . .
C50 C 0.0216(8) -0.0785(7) 0.2976(4) 0.047(3) Uani 1 1 d . . .
H50 H -0.0064 -0.1328 0.2908 0.057 Uiso 1 1 calc R U .
C51 C 0.0977(8) -0.0447(6) 0.2799(4) 0.046(3) Uani 1 1 d . . .
H51 H 0.1212 -0.0766 0.2605 0.056 Uiso 1 1 calc R U .
C52 C -0.1053(7) -0.0624(6) 0.3414(4) 0.037(3) Uani 1 1 d . . .
C53 C -0.1659(8) -0.0264(6) 0.3331(4) 0.041(3) Uani 1 1 d . . .
H53 H -0.1470 0.0178 0.3203 0.049 Uiso 1 1 calc R U .
C54 C -0.2538(7) -0.0522(6) 0.3428(4) 0.036(3) Uani 1 1 d . . .
C55 C -0.2796(7) -0.1180(6) 0.3634(4) 0.037(3) Uani 1 1 d . . .
C56 C -0.2192(8) -0.1558(6) 0.3723(4) 0.041(3) Uani 1 1 d . . .
C57 C -0.1345(8) -0.1277(6) 0.3619(4) 0.046(3) Uani 1 1 d . . .
C58 C 0.0012(10) -0.1242(10) 0.4076(5) 0.087(5) Uani 1 1 d . . .
H58A H 0.0411 -0.1528 0.4090 0.131 Uiso 1 1 calc R U .
H58B H -0.0187 -0.1158 0.4384 0.131 Uiso 1 1 calc R U .
H58C H 0.0323 -0.0746 0.4004 0.131 Uiso 1 1 calc R U .
C59 C -0.4372(11) -0.1859(9) 0.3352(6) 0.096(5) Uani 1 1 d . . .
H59A H -0.4930 -0.2011 0.3476 0.144 Uiso 1 1 calc R U .
H59B H -0.4297 -0.2316 0.3171 0.144 Uiso 1 1 calc R U .
H59C H -0.4380 -0.1507 0.3145 0.144 Uiso 1 1 calc R U .
C60 C -0.3150(7) -0.0128(6) 0.3290(4) 0.039(3) Uani 1 1 d . . .
C61 C -0.3157(7) 0.0062(6) 0.2832(4) 0.037(3) Uani 1 1 d . . .
H61 H -0.2769 -0.0045 0.2628 0.045 Uiso 1 1 calc R U .
C62 C -0.3740(8) 0.0406(6) 0.2692(4) 0.043(3) Uani 1 1 d . . .
H62 H -0.3753 0.0518 0.2386 0.052 Uiso 1 1 calc R U .
C63 C -0.4306(7) 0.0593(5) 0.2985(4) 0.036(3) Uani 1 1 d . . .
C64 C -0.4282(8) 0.0428(7) 0.3443(4) 0.049(3) Uani 1 1 d . . .
H64 H -0.4659 0.0553 0.3648 0.059 Uiso 1 1 calc R U .
C65 C -0.3702(8) 0.0080(6) 0.3591(4) 0.047(3) Uani 1 1 d . . .
H65 H -0.3682 -0.0017 0.3900 0.056 Uiso 1 1 calc R U .
C88 C -0.4976(8) 0.0946(6) 0.2807(5) 0.042(3) Uani 1 1 d . . .
C66 C -0.2673(11) -0.3156(8) 0.2810(5) 0.081(5) Uani 1 1 d . . .
H66A H -0.2927 -0.3217 0.2479 0.122 Uiso 1 1 calc R U .
H66B H -0.2580 -0.3627 0.2848 0.122 Uiso 1 1 calc R U .
H66C H -0.2107 -0.2725 0.2892 0.122 Uiso 1 1 calc R U .
C67 C -0.216(2) -0.1086(12) 0.4884(8) 0.177(12) Uani 1 1 d . . .
H67A H -0.1855 -0.0778 0.5201 0.265 Uiso 1 1 calc R U .
H67B H -0.2759 -0.1407 0.4902 0.265 Uiso 1 1 calc R U .
H67C H -0.2173 -0.0745 0.4670 0.265 Uiso 1 1 calc R U .
C68 C -0.2492(7) -0.2280(6) 0.3919(4) 0.037(3) Uani 1 1 d . . .
C69 C -0.3026(7) -0.2994(6) 0.3611(4) 0.040(3) Uani 1 1 d . . .
C70 C -0.3283(9) -0.3703(7) 0.3763(4) 0.055(3) Uani 1 1 d . . .
C71 C -0.2984(8) -0.3660(6) 0.4243(4) 0.048(3) Uani 1 1 d . . .
H71 H -0.3133 -0.4121 0.4353 0.058 Uiso 1 1 calc R U .
C72 C -0.2466(8) -0.2951(7) 0.4571(4) 0.051(3) Uani 1 1 d . . .
C73 C -0.2223(8) -0.2260(6) 0.4399(4) 0.040(3) Uani 1 1 d . . .
C75 C -0.1709(15) -0.3382(14) 0.5185(6) 0.133(9) Uani 1 1 d . . .
H75 H -0.1547 -0.3682 0.4936 0.159 Uiso 1 1 calc R U .
C76 C -0.1428(12) -0.3357(12) 0.5683(5) 0.104(6) Uani 1 1 d . . .
H76 H -0.1016 -0.3591 0.5755 0.125 Uiso 1 1 calc R U .
C78 C -0.2345(9) -0.2710(9) 0.5924(5) 0.074(4) Uani 1 1 d . . .
H78 H -0.2638 -0.2529 0.6161 0.088 Uiso 1 1 calc R U .
C79 C -0.2554(10) -0.2662(9) 0.5456(5) 0.073(4) Uani 1 1 d . . .
H79 H -0.2951 -0.2411 0.5390 0.087 Uiso 1 1 calc R U .
C80 C -0.1487(8) -0.3058(7) 0.6556(4) 0.046(3) Uani 1 1 d . . .
C81 C -0.3870(8) -0.4445(7) 0.3452(4) 0.053(3) Uani 1 1 d . . .
C82 C -0.4688(10) -0.4547(7) 0.3196(5) 0.068(4) Uani 1 1 d . . .
H82 H -0.4843 -0.4111 0.3180 0.082 Uiso 1 1 calc R U .
C83 C -0.5286(9) -0.5285(7) 0.2962(4) 0.061(4) Uani 1 1 d . . .
H83 H -0.5838 -0.5332 0.2797 0.074 Uiso 1 1 calc R U .
C84 C -0.5099(9) -0.5940(7) 0.2963(4) 0.052(3) Uani 1 1 d . . .
C85 C -0.4251(9) -0.5862(7) 0.3172(4) 0.059(3) Uani 1 1 d . . .
H85 H -0.4091 -0.6303 0.3146 0.070 Uiso 1 1 calc R U .
C86 C -0.3615(8) -0.5117(6) 0.3427(4) 0.056(3) Uani 1 1 d . . .
H86 H -0.3048 -0.5070 0.3574 0.067 Uiso 1 1 calc R U .
C87 C -0.5743(5) -0.6749(4) 0.2704(2) 0.0050(17) Uiso 1 1 d . . .
C9S C 0.027(3) 0.151(2) 0.0547(11) 0.30(2) Uani 1 1 d . . .
H9SA H 0.0546 0.1761 0.0303 0.444 Uiso 1 1 calc R U .
H9SB H -0.0265 0.1073 0.0397 0.444 Uiso 1 1 calc R U .
H9SC H 0.0686 0.1333 0.0714 0.444 Uiso 1 1 calc R U .
N1 N 0.0508(11) -0.0285(9) 0.1316(5) 0.112(5) Uani 1 1 d . . .
N2 N 0.0002(13) 0.2173(14) 0.0955(8) 0.165(8) Uani 1 1 d . . .
C7S C -0.074(3) 0.246(3) 0.0857(16) 0.36(3) Uani 1 1 d . . .
H7SA H -0.1089 0.2183 0.0545 0.539 Uiso 1 1 calc R U .
H7SB H -0.0490 0.3013 0.0862 0.539 Uiso 1 1 calc R U .
H7SC H -0.1117 0.2384 0.1102 0.539 Uiso 1 1 calc R U .
N3 N 0.6422(15) 0.2268(12) 0.1601(9) 0.164(9) Uani 1 1 d . . .
O1 O 0.0458(5) 0.1878(4) 0.2450(3) 0.0454(19) Uani 1 1 d . . .
O3 O -0.0570(5) -0.5938(4) 0.2726(3) 0.0441(19) Uani 1 1 d . . .
O4 O -0.0244(5) -0.6162(4) 0.1991(3) 0.047(2) Uani 1 1 d . . .
O5 O -0.8309(5) -0.5425(4) 0.2601(3) 0.0468(19) Uani 1 1 d . . .
O6 O -0.8342(4) -0.6583(4) 0.2251(2) 0.0393(18) Uani 1 1 d . . .
O7 O 0.2517(5) 0.1459(4) 0.2727(2) 0.0387(18) Uani 1 1 d . . .
O8 O 0.2642(5) 0.0304(4) 0.2491(3) 0.0480(19) Uani 1 1 d . . .
O9 O -0.2892(5) -0.2119(4) -0.1754(3) 0.049(2) Uani 1 1 d . . .
O10 O -0.3682(5) -0.1347(4) -0.1615(2) 0.0472(19) Uani 1 1 d . . .
O11 O -0.6580(5) -0.6828(4) 0.2651(2) 0.0387(18) Uani 1 1 d . . .
O12 O -0.5461(5) -0.7265(4) 0.2670(3) 0.051(2) Uani 1 1 d . . .
O13 O -0.5059(5) 0.0965(4) 0.2369(3) 0.049(2) Uani 1 1 d . . .
O14 O -0.5402(5) 0.1191(5) 0.3097(3) 0.050(2) Uani 1 1 d . . .
O15 O -0.0902(6) -0.3368(5) 0.6622(3) 0.056(2) Uani 1 1 d . . .
O16 O -0.1872(5) -0.2800(5) 0.6864(3) 0.053(2) Uani 1 1 d . . .
O17 O 0.1306(6) 0.0861(5) 0.1858(3) 0.056(2) Uani 1 1 d . . .
O18 O 0.1069(6) 0.2088(5) 0.1508(3) 0.065(2) Uani 1 1 d . . .
O19 O 0.6219(10) 0.1010(10) 0.1236(7) 0.155(6) Uani 1 1 d . . .
O20 O -0.5004(4) -0.3448(4) 0.1345(2) 0.0385(18) Uani 1 1 d . . .
O21 O -0.2069(5) -0.3530(4) 0.1359(2) 0.0443(19) Uani 1 1 d . . .
O22 O -0.3824(5) -0.3518(4) 0.0319(3) 0.049(2) Uani 1 1 d . . .
O23 O -0.2725(5) -0.2069(4) 0.1951(2) 0.0393(18) Uani 1 1 d . . .
O24 O -0.3292(6) -0.2999(4) 0.3131(3) 0.053(2) Uani 1 1 d . . .
O25 O -0.1684(6) -0.1569(5) 0.4704(3) 0.056(2) Uani 1 1 d . . .
O26 O -0.3637(6) -0.1473(5) 0.3749(3) 0.054(2) Uani 1 1 d . . .
O27 O -0.0785(5) -0.1701(4) 0.3690(3) 0.050(2) Uani 1 1 d . . .
C36 C -0.7177(7) -0.5464(6) 0.2125(4) 0.035(3) Uani 1 1 d . . .
C5 C -0.2141(7) -0.0573(6) 0.1632(3) 0.031(2) Uani 1 1 d . . .
C31 C -0.5588(7) -0.4805(6) 0.1779(4) 0.038(3) Uani 1 1 d . . .
C2 C -0.1019(9) 0.0922(6) 0.2113(4) 0.051(3) Uani 1 1 d . . .
C74 C -0.2213(8) -0.2960(7) 0.5089(4) 0.047(3) Uani 1 1 d . . .
C77 C -0.1736(7) -0.3009(6) 0.6047(4) 0.037(3) Uani 1 1 d . . .
O2 O -0.0661(6) 0.2294(5) 0.2341(3) 0.061(2) Uani 1 1 d . . .
C1 C -0.0372(9) 0.1738(7) 0.2318(4) 0.053(3) Uani 1 1 d . . .
Eu1 Eu 0.19333(4) 0.22537(3) 0.23173(2) 0.0330(3) Uani 0.830(15) 1 d . . P
Cd1 Cd 0.19333(4) 0.22537(3) 0.23173(2) 0.0330(3) Uani 0.170(15) 1 d . . P
Eu2 Eu -0.61785(5) 0.14410(4) 0.24088(3) 0.0434(4) Uani 0.236(13) 1 d . . P
Cd2 Cd -0.61785(5) 0.14410(4) 0.24088(3) 0.0434(4) Uani 0.764(13) 1 d . . P
Eu3 Eu 0.04404(5) 0.34534(4) 0.26525(3) 0.0455(4) Uani 0.256(13) 1 d . . P
Cd3 Cd 0.04404(5) 0.34534(4) 0.26525(3) 0.0455(4) Uani 0.744(13) 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'
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'
Eu Eu -0.1578 3.6682 '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'
Cd Cd -0.8075 1.2024 '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
O17 C1S N1 119.7(18) . .
O17 C1S H1S 120.1 . .
N1 C1S H1S 120.1 . .
N1 C2S H2SA 109.5 . .
N1 C2S H2SB 109.5 . .
H2SA C2S H2SB 109.5 . .
N1 C2S H2SC 109.5 . .
H2SA C2S H2SC 109.5 . .
H2SB C2S H2SC 109.5 . .
C4 C3 C2 118.0(10) . .
C4 C3 H3 121.0 . .
C2 C3 H3 121.0 . .
N1 C3S H3SA 109.5 . .
N1 C3S H3SB 109.5 . .
H3SA C3S H3SB 109.5 . .
N1 C3S H3SC 109.5 . .
H3SA C3S H3SC 109.5 . .
H3SB C3S H3SC 109.5 . .
C5 C4 C3 122.4(10) . .
C5 C4 H4 118.8 . .
C3 C4 H4 118.8 . .
N3 C4S H4SA 109.5 . .
N3 C4S H4SB 109.5 . .
H4SA C4S H4SB 109.5 . .
N3 C4S H4SC 109.5 . .
H4SA C4S H4SC 109.5 . .
H4SB C4S H4SC 109.5 . .
O19 C5S N3 125(2) . .
O19 C5S H5S 117.3 . .
N3 C5S H5S 117.3 . .
C7 C6 C5 122.0(10) . .
C7 C6 H6 119.0 . .
C5 C6 H6 119.0 . .
N3 C6S H6SA 109.5 . .
N3 C6S H6SB 109.5 . .
H6SA C6S H6SB 109.5 . .
N3 C6S H6SC 109.5 . .
H6SA C6S H6SC 109.5 . .
H6SB C6S H6SC 109.5 . .
C6 C7 C2 119.6(10) . .
C6 C7 H7 120.2 . .
C2 C7 H7 120.2 . .
C9 C8 C13 118.0(9) . .
C9 C8 C5 117.7(8) . .
C13 C8 C5 124.0(8) . .
C8 C9 C10 122.7(9) . .
C8 C9 H9 118.6 . .
C10 C9 H9 118.6 . .
C11 C10 C9 118.8(9) . .
C11 C10 C14 124.0(9) . .
C9 C10 C14 116.8(9) . .
C10 C11 O22 118.8(8) . .
C10 C11 C12 120.5(9) . .
O22 C11 C12 120.5(8) . .
C11 C12 C13 120.0(8) . .
C11 C12 C25 122.7(8) . .
C13 C12 C25 117.3(8) . .
O23 C13 C8 121.5(9) . .
O23 C13 C12 118.6(8) . .
C8 C13 C12 119.9(8) . .
C15 C14 C19 120.2(10) . .
C15 C14 C10 119.5(9) . .
C19 C14 C10 120.1(9) . .
C14 C15 C16 118.3(11) . .
C14 C15 H15 120.8 . .
C16 C15 H15 120.8 . .
C17 C16 C15 121.5(11) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
C18 C17 C16 118.8(10) . .
C18 C17 C20 122.7(10) . .
C16 C17 C20 118.4(10) . .
C17 C18 C19 122.6(11) . .
C17 C18 H18 118.7 . .
C19 C18 H18 118.7 . .
C14 C19 C18 118.5(10) . .
C14 C19 H19 120.7 . .
C18 C19 H19 120.7 . .
O10 C20 O9 122.7(10) . .
O10 C20 C17 120.4(10) . .
O9 C20 C17 116.9(10) . .
O10 C20 Eu2 44.0(5) . 2_455
O9 C20 Eu2 79.4(6) . 2_455
C17 C20 Eu2 161.4(8) . 2_455
O22 C21 H21A 109.5 . .
O22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O23 C22 H22A 109.5 . .
O23 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
O23 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
O20 C23 H23A 109.5 . .
O20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O21 C24 H24A 109.5 . .
O21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 118.0(9) . .
C26 C25 C12 120.7(8) . .
C30 C25 C12 121.2(9) . .
C27 C26 O20 121.3(9) . .
C27 C26 C25 121.8(8) . .
O20 C26 C25 116.6(8) . .
C26 C27 C28 117.9(9) . .
C26 C27 C31 123.7(8) . .
C28 C27 C31 118.4(9) . .
C29 C28 C27 123.4(9) . .
C29 C28 H28 118.3 . .
C27 C28 H28 118.3 . .
C28 C29 C30 116.7(9) . .
C28 C29 C38 120.2(8) . .
C30 C29 C38 122.9(9) . .
O21 C30 C29 120.8(9) . .
O21 C30 C25 117.1(8) . .
C29 C30 C25 122.1(9) . .
C31 C32 C33 121.3(10) . .
C31 C32 H32 119.4 . .
C33 C32 H32 119.4 . .
O18 C8S N2 126(2) . .
O18 C8S H8S 117.2 . .
N2 C8S H8S 117.2 . .
C36 C33 C32 119.9(10) . .
C36 C33 H33 120.1 . .
C32 C33 H33 120.1 . .
C36 C35 C34 119.4(10) . .
C36 C35 H35 120.3 . .
C34 C35 H35 120.3 . .
C31 C34 C35 119.3(10) . .
C31 C34 H34 120.4 . .
C35 C34 H34 120.4 . .
O5 C37 O6 123.2(10) . .
O5 C37 C36 118.8(9) . .
O6 C37 C36 117.9(9) . .
O5 C37 Cd3 62.5(5) . 1_445
O6 C37 Cd3 60.8(5) . 1_445
C36 C37 Cd3 173.9(7) . 1_445
O5 C37 Eu3 62.5(5) . 1_445
O6 C37 Eu3 60.8(5) . 1_445
C36 C37 Eu3 173.9(7) . 1_445
Cd3 C37 Eu3 0.0 1_445 1_445
C39 C38 C43 118.3(9) . .
C39 C38 C29 119.2(9) . .
C43 C38 C29 122.4(9) . .
C40 C39 C38 122.0(10) . .
C40 C39 H39 119.0 . .
C38 C39 H39 119.0 . .
C39 C40 C41 119.2(9) . .
C39 C40 H40 120.4 . .
C41 C40 H40 120.4 . .
C42 C41 C40 119.1(9) . .
C42 C41 C44 121.0(10) . .
C40 C41 C44 119.8(9) . .
C43 C42 C41 120.1(10) . .
C43 C42 H42 119.9 . .
C41 C42 H42 119.9 . .
C42 C43 C38 121.1(10) . .
C42 C43 H43 119.4 . .
C38 C43 H43 119.4 . .
O4 C44 O3 123.4(9) . .
O4 C44 C41 118.9(10) . .
O3 C44 C41 117.7(10) . .
O4 C44 Cd3 65.4(5) . 1_545
O3 C44 Cd3 58.0(5) . 1_545
C41 C44 Cd3 175.6(8) . 1_545
O4 C44 Eu3 65.4(5) . 1_545
O3 C44 Eu3 58.0(5) . 1_545
C41 C44 Eu3 175.6(8) . 1_545
Cd3 C44 Eu3 0.0 1_545 1_545
O8 C45 O7 123.3(11) . .
O8 C45 C46 119.4(9) . .
O7 C45 C46 117.2(10) . .
O8 C45 Cd2 62.5(6) . 1_655
O7 C45 Cd2 61.2(6) . 1_655
C46 C45 Cd2 174.9(7) . 1_655
O8 C45 Eu2 62.5(6) . 1_655
O7 C45 Eu2 61.2(6) . 1_655
C46 C45 Eu2 174.9(7) . 1_655
Cd2 C45 Eu2 0.0 1_655 1_655
C51 C46 C47 118.8(10) . .
C51 C46 C45 121.7(10) . .
C47 C46 C45 119.5(9) . .
C46 C47 C48 120.3(10) . .
C46 C47 H47 119.9 . .
C48 C47 H47 119.9 . .
C49 C48 C47 119.8(11) . .
C49 C48 H48 120.1 . .
C47 C48 H48 120.1 . .
C48 C49 C50 120.3(10) . .
C48 C49 C52 118.4(10) . .
C50 C49 C52 121.1(9) . .
C51 C50 C49 118.4(11) . .
C51 C50 H50 120.8 . .
C49 C50 H50 120.8 . .
C50 C51 C46 122.2(11) . .
C50 C51 H51 118.9 . .
C46 C51 H51 118.9 . .
C53 C52 C57 116.9(10) . .
C53 C52 C49 117.5(9) . .
C57 C52 C49 125.5(9) . .
C52 C53 C54 124.0(10) . .
C52 C53 H53 118.0 . .
C54 C53 H53 118.0 . .
C53 C54 C55 116.7(9) . .
C53 C54 C60 119.3(9) . .
C55 C54 C60 123.9(10) . .
O26 C55 C56 118.2(9) . .
O26 C55 C54 121.3(9) . .
C56 C55 C54 120.5(10) . .
C57 C56 C55 119.9(10) . .
C57 C56 C68 120.3(10) . .
C55 C56 C68 119.8(10) . .
C56 C57 O27 117.5(10) . .
C56 C57 C52 122.0(10) . .
O27 C57 C52 120.4(11) . .
O27 C58 H58A 109.5 . .
O27 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
O27 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
O26 C59 H59A 109.5 . .
O26 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
O26 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C65 C60 C61 118.3(9) . .
C65 C60 C54 123.3(9) . .
C61 C60 C54 118.4(9) . .
C62 C61 C60 119.1(10) . .
C62 C61 H61 120.4 . .
C60 C61 H61 120.4 . .
C61 C62 C63 122.5(10) . .
C61 C62 H62 118.8 . .
C63 C62 H62 118.8 . .
C62 C63 C64 118.6(9) . .
C62 C63 C88 120.8(9) . .
C64 C63 C88 120.5(10) . .
C65 C64 C63 119.9(10) . .
C65 C64 H64 120.0 . .
C63 C64 H64 120.0 . .
C64 C65 C60 121.4(10) . .
C64 C65 H65 119.3 . .
C60 C65 H65 119.3 . .
O14 C88 O13 123.9(10) . .
O14 C88 C63 119.1(10) . .
O13 C88 C63 117.0(10) . .
O14 C88 Eu2 66.0(6) . .
O13 C88 Eu2 58.0(5) . .
C63 C88 Eu2 173.7(8) . .
O24 C66 H66A 109.5 . .
O24 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
O24 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
O25 C67 H67A 109.5 . .
O25 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
O25 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C73 C68 C69 119.0(9) . .
C73 C68 C56 121.3(9) . .
C69 C68 C56 119.6(9) . .
O24 C69 C68 118.0(9) . .
O24 C69 C70 119.3(9) . .
C68 C69 C70 122.7(9) . .
C71 C70 C69 116.5(11) . .
C71 C70 C81 120.1(10) . .
C69 C70 C81 123.3(9) . .
C70 C71 C72 122.9(10) . .
C70 C71 H71 118.5 . .
C72 C71 H71 118.5 . .
C73 C72 C71 118.2(9) . .
C73 C72 C74 122.8(10) . .
C71 C72 C74 119.0(10) . .
O25 C73 C68 119.9(9) . .
O25 C73 C72 119.4(9) . .
C68 C73 C72 120.7(10) . .
C74 C75 C76 118.1(15) . .
C74 C75 H75 121.0 . .
C76 C75 H75 121.0 . .
C77 C76 C75 122.4(14) . .
C77 C76 H76 118.8 . .
C75 C76 H76 118.8 . .
C77 C78 C79 121.4(12) . .
C77 C78 H78 119.3 . .
C79 C78 H78 119.3 . .
C74 C79 C78 123.0(12) . .
C74 C79 H79 118.5 . .
C78 C79 H79 118.5 . .
O16 C80 O15 127.3(10) . .
O16 C80 C77 116.8(11) . .
O15 C80 C77 115.9(10) . .
O16 C80 Eu3 88.8(7) . 2_556
O15 C80 Eu3 38.5(5) . 2_556
C77 C80 Eu3 154.4(8) . 2_556
C82 C81 C86 117.8(11) . .
C82 C81 C70 123.1(11) . .
C86 C81 C70 119.0(10) . .
C81 C82 C83 121.2(11) . .
C81 C82 H82 119.4 . .
C83 C82 H82 119.4 . .
C84 C83 C82 122.6(12) . .
C84 C83 H83 118.7 . .
C82 C83 H83 118.7 . .
C83 C84 C85 118.5(12) . .
C83 C84 C87 123.0(10) . .
C85 C84 C87 118.3(10) . .
C84 C85 C86 121.1(11) . .
C84 C85 H85 119.4 . .
C86 C85 H85 119.4 . .
C85 C86 C81 118.3(11) . .
C85 C86 H86 120.8 . .
C81 C86 H86 120.8 . .
O12 C87 O11 125.9(8) . .
O12 C87 C84 117.1(8) . .
O11 C87 C84 114.9(8) . .
O12 C87 Eu2 33.0(4) . 1_545
O11 C87 Eu2 93.2(5) . 1_545
C84 C87 Eu2 149.5(6) . 1_545
N2 C9S H9SA 109.5 . .
N2 C9S H9SB 109.5 . .
H9SA C9S H9SB 109.5 . .
N2 C9S H9SC 109.5 . .
H9SA C9S H9SC 109.5 . .
H9SB C9S H9SC 109.5 . .
C1S N1 C3S 125.9(16) . .
C1S N1 C2S 118.9(17) . .
C3S N1 C2S 114.8(17) . .
C8S N2 C7S 122(3) . .
C8S N2 C9S 112.7(19) . .
C7S N2 C9S 125(2) . .
N2 C7S H7SA 109.5 . .
N2 C7S H7SB 109.5 . .
H7SA C7S H7SB 109.5 . .
N2 C7S H7SC 109.5 . .
H7SA C7S H7SC 109.5 . .
H7SB C7S H7SC 109.5 . .
C5S N3 C4S 117(2) . .
C5S N3 C6S 118(2) . .
C4S N3 C6S 125.4(19) . .
C1 O1 Eu1 151.9(7) . .
C1 O1 Eu3 79.7(6) . .
Eu1 O1 Eu3 94.7(2) . .
C44 O3 Cd3 93.9(6) . 1_545
C44 O3 Eu3 93.9(6) . 1_545
Cd3 O3 Eu3 0.0 1_545 1_545
C44 O4 Cd3 86.9(6) . 1_545
C44 O4 Eu3 86.9(6) . 1_545
Cd3 O4 Eu3 0.0 1_545 1_545
C37 O5 Cd3 90.6(6) . 1_445
C37 O5 Eu3 90.6(6) . 1_445
Cd3 O5 Eu3 0.0 1_445 1_445
C37 O6 Cd3 91.3(6) . 1_445
C37 O6 Eu3 91.3(6) . 1_445
Cd3 O6 Eu3 0.0 1_445 1_445
C37 O6 Eu1 144.2(6) . 1_445
Cd3 O6 Eu1 108.4(3) 1_445 1_445
Eu3 O6 Eu1 108.4(3) 1_445 1_445
C37 O6 Cd1 144.2(6) . 1_445
Cd3 O6 Cd1 108.4(3) 1_445 1_445
Eu3 O6 Cd1 108.4(3) 1_445 1_445
Eu1 O6 Cd1 0.00(4) 1_445 1_445
C45 O7 Cd2 90.5(7) . 1_655
C45 O7 Eu2 90.5(7) . 1_655
Cd2 O7 Eu2 0.0 1_655 1_655
C45 O7 Eu1 132.2(6) . .
Cd2 O7 Eu1 106.5(3) 1_655 .
Eu2 O7 Eu1 106.5(3) 1_655 .
C45 O8 Cd2 89.9(6) . 1_655
C45 O8 Eu2 89.9(6) . 1_655
Cd2 O8 Eu2 0.0 1_655 1_655
C20 O9 Cd1 157.3(7) . 2
C20 O9 Eu1 157.3(7) . 2
Cd1 O9 Eu1 0.0 2 2
C20 O9 Eu2 75.8(6) . 2_455
Cd1 O9 Eu2 90.4(2) 2 2_455
Eu1 O9 Eu2 90.4(2) 2 2_455
C20 O10 Cd2 112.9(7) . 2_455
C20 O10 Eu2 112.9(7) . 2_455
Cd2 O10 Eu2 0.0 2_455 2_455
C87 O11 Cd1 143.2(5) . 1_445
C87 O11 Eu1 143.2(5) . 1_445
Cd1 O11 Eu1 0.0 1_445 1_445
C87 O12 Cd2 130.2(6) . 1_545
C87 O12 Eu2 130.2(6) . 1_545
Cd2 O12 Eu2 0.0 1_545 1_545
C88 O13 Eu2 93.9(7) . .
C88 O14 Eu2 86.2(6) . .
C80 O15 Cd3 120.3(7) . 2_556
C80 O15 Eu3 120.3(7) . 2_556
Cd3 O15 Eu3 0.0 2_556 2_556
C80 O16 Cd1 151.3(7) . 2_556
C80 O16 Eu1 151.3(7) . 2_556
Cd1 O16 Eu1 0.0 2_556 2_556
C1S O17 Eu1 131.5(11) . .
C8S O18 Eu1 130.4(10) . .
C26 O20 C23 112.6(8) . .
C30 O21 C24 115.5(8) . .
C21 O22 C11 123.2(10) . .
C13 O23 C22 114.1(8) . .
C69 O24 C66 113.2(9) . .
C73 O25 C67 113.7(13) . .
C55 O26 C59 117.0(10) . .
C57 O27 C58 112.1(9) . .
C33 C36 C35 120.1(10) . .
C33 C36 C37 119.3(9) . .
C35 C36 C37 120.5(10) . .
C4 C5 C6 118.4(10) . .
C4 C5 C8 120.8(9) . .
C6 C5 C8 120.5(9) . .
C32 C31 C34 119.8(10) . .
C32 C31 C27 121.1(10) . .
C34 C31 C27 118.8(9) . .
C7 C2 C3 119.1(10) . .
C7 C2 C1 121.8(11) . .
C3 C2 C1 119.1(10) . .
C79 C74 C75 117.2(12) . .
C79 C74 C72 123.9(11) . .
C75 C74 C72 118.2(12) . .
C78 C77 C76 116.5(11) . .
C78 C77 C80 122.5(11) . .
C76 C77 C80 120.4(10) . .
C1 O2 Eu3 111.5(7) . .
O2 C1 O1 120.2(10) . .
O2 C1 C2 118.5(12) . .
O1 C1 C2 121.3(11) . .
O2 C1 Eu3 45.0(5) . .
O1 C1 Eu3 75.2(6) . .
C2 C1 Eu3 163.5(9) . .
O1 Eu1 O9 145.1(3) . 2
O1 Eu1 O6 81.0(2) . 1_665
O9 Eu1 O6 105.3(2) 2 1_665
O1 Eu1 O16 69.8(3) . 2_556
O9 Eu1 O16 144.9(3) 2 2_556
O6 Eu1 O16 77.6(2) 1_665 2_556
O1 Eu1 O11 142.7(2) . 1_665
O9 Eu1 O11 71.7(2) 2 1_665
O6 Eu1 O11 82.3(2) 1_665 1_665
O16 Eu1 O11 74.1(3) 2_556 1_665
O1 Eu1 O7 102.6(2) . .
O9 Eu1 O7 86.3(2) 2 .
O6 Eu1 O7 154.6(2) 1_665 .
O16 Eu1 O7 80.2(2) 2_556 .
O11 Eu1 O7 80.0(2) 1_665 .
O1 Eu1 O18 76.7(3) . .
O9 Eu1 O18 74.0(3) 2 .
O6 Eu1 O18 69.1(3) 1_665 .
O16 Eu1 O18 135.7(3) 2_556 .
O11 Eu1 O18 126.8(3) 1_665 .
O7 Eu1 O18 136.3(3) . .
O1 Eu1 O17 78.3(3) . .
O9 Eu1 O17 73.4(3) 2 .
O6 Eu1 O17 135.2(2) 1_665 .
O16 Eu1 O17 129.4(3) 2_556 .
O11 Eu1 O17 134.5(2) 1_665 .
O7 Eu1 O17 69.5(2) . .
O18 Eu1 O17 67.7(3) . .
O1 Eu1 Cd2 136.21(18) . 1_655
O9 Eu1 Cd2 51.46(17) 2 1_655
O6 Eu1 Cd2 141.96(16) 1_665 1_655
O16 Eu1 Cd2 104.86(18) 2_556 1_655
O11 Eu1 Cd2 62.81(15) 1_665 1_655
O7 Eu1 Cd2 36.28(17) . 1_655
O18 Eu1 Cd2 119.4(2) . 1_655
O17 Eu1 Cd2 72.82(19) . 1_655
O1 Eu1 Eu2 136.21(18) . 1_655
O9 Eu1 Eu2 51.46(17) 2 1_655
O6 Eu1 Eu2 141.96(16) 1_665 1_655
O16 Eu1 Eu2 104.86(18) 2_556 1_655
O11 Eu1 Eu2 62.81(15) 1_665 1_655
O7 Eu1 Eu2 36.28(17) . 1_655
O18 Eu1 Eu2 119.4(2) . 1_655
O17 Eu1 Eu2 72.82(19) . 1_655
Cd2 Eu1 Eu2 0.0 1_655 1_655
O1 Eu1 Eu3 48.56(18) . .
O9 Eu1 Eu3 139.43(17) 2 .
O6 Eu1 Eu3 35.56(17) 1_665 .
O16 Eu1 Eu3 57.13(18) 2_556 .
O11 Eu1 Eu3 102.81(15) 1_665 .
O7 Eu1 Eu3 133.39(17) . .
O18 Eu1 Eu3 79.0(2) . .
O17 Eu1 Eu3 122.7(2) . .
Cd2 Eu1 Eu3 160.81(2) 1_655 .
Eu2 Eu1 Eu3 160.81(2) 1_655 .
O10 Eu2 O12 99.7(3) 2_455 1_565
O10 Eu2 O13 89.6(3) 2_455 .
O12 Eu2 O13 103.9(3) 1_565 .
O10 Eu2 O7 113.3(3) 2_455 1_455
O12 Eu2 O7 93.5(3) 1_565 1_455
O13 Eu2 O7 148.6(2) . 1_455
O10 Eu2 O8 103.7(3) 2_455 1_455
O12 Eu2 O8 146.9(3) 1_565 1_455
O13 Eu2 O8 99.4(3) . 1_455
O7 Eu2 O8 55.7(2) 1_455 1_455
O10 Eu2 O14 145.2(3) 2_455 .
O12 Eu2 O14 91.6(3) 1_565 .
O13 Eu2 O14 55.8(3) . .
O7 Eu2 O14 98.5(2) 1_455 .
O8 Eu2 O14 82.3(3) 1_455 .
O10 Eu2 C88 117.5(3) 2_455 .
O12 Eu2 C88 99.6(3) 1_565 .
O13 Eu2 C88 28.1(3) . .
O7 Eu2 C88 124.0(3) 1_455 .
O8 Eu2 C88 90.0(3) 1_455 .
O14 Eu2 C88 27.7(3) . .
O10 Eu2 C45 112.6(3) 2_455 1_455
O12 Eu2 C45 120.4(3) 1_565 1_455
O13 Eu2 C45 124.1(3) . 1_455
O7 Eu2 C45 28.2(3) 1_455 1_455
O8 Eu2 C45 27.6(3) 1_455 1_455
O14 Eu2 C45 88.7(3) . 1_455
C88 Eu2 C45 106.9(3) . 1_455
O10 Eu2 C20 23.0(3) 2_455 2_455
O12 Eu2 C20 86.4(3) 1_565 2_455
O13 Eu2 C20 111.1(3) . 2_455
O7 Eu2 C20 95.7(3) 1_455 2_455
O8 Eu2 C20 106.9(3) 1_455 2_455
O14 Eu2 C20 165.7(3) . 2_455
C88 Eu2 C20 139.0(4) . 2_455
C45 Eu2 C20 104.5(3) 1_455 2_455
O10 Eu2 O9 47.7(2) 2_455 2_455
O12 Eu2 O9 76.1(2) 1_565 2_455
O13 Eu2 O9 135.2(2) . 2_455
O7 Eu2 O9 74.0(2) 1_455 2_455
O8 Eu2 O9 103.2(2) 1_455 2_455
O14 Eu2 O9 164.9(2) . 2_455
C88 Eu2 O9 161.9(3) . 2_455
C45 Eu2 O9 90.1(3) 1_455 2_455
C20 Eu2 O9 24.8(2) 2_455 2_455
O10 Eu2 C87 96.4(2) 2_455 1_565
O12 Eu2 C87 16.7(2) 1_565 1_565
O13 Eu2 C87 120.4(2) . 1_565
O7 Eu2 C87 79.7(2) 1_455 1_565
O8 Eu2 C87 135.3(2) 1_455 1_565
O14 Eu2 C87 103.0(2) . 1_565
C88 Eu2 C87 115.3(3) . 1_565
C45 Eu2 C87 107.7(3) 1_455 1_565
C20 Eu2 C87 78.4(3) 2_455 1_565
O9 Eu2 C87 63.2(2) 2_455 1_565
O10 Eu2 Cd1 83.7(2) 2_455 1_455
O12 Eu2 Cd1 76.54(19) 1_565 1_455
O13 Eu2 Cd1 173.16(19) . 1_455
O7 Eu2 Cd1 37.18(15) 1_455 1_455
O8 Eu2 Cd1 83.07(18) 1_455 1_455
O14 Eu2 Cd1 131.1(2) . 1_455
C88 Eu2 Cd1 158.8(3) . 1_455
C45 Eu2 Cd1 60.0(2) 1_455 1_455
C20 Eu2 Cd1 62.1(2) 2_455 1_455
O9 Eu2 Cd1 38.10(16) 2_455 1_455
C87 Eu2 Cd1 59.81(14) 1_565 1_455
O15 Eu3 O2 103.9(3) 2_556 .
O15 Eu3 O3 106.9(3) 2_556 1_565
O2 Eu3 O3 91.3(3) . 1_565
O15 Eu3 O6 102.2(3) 2_556 1_665
O2 Eu3 O6 105.2(3) . 1_665
O3 Eu3 O6 141.8(3) 1_565 1_665
O15 Eu3 O5 97.9(3) 2_556 1_665
O2 Eu3 O5 153.5(3) . 1_665
O3 Eu3 O5 96.7(3) 1_565 1_665
O6 Eu3 O5 54.7(2) 1_665 1_665
O15 Eu3 O4 162.0(3) 2_556 1_565
O2 Eu3 O4 82.9(3) . 1_565
O3 Eu3 O4 55.8(3) 1_565 1_565
O6 Eu3 O4 91.8(2) 1_665 1_565
O5 Eu3 O4 80.8(3) 1_665 1_565
O15 Eu3 C44 134.8(3) 2_556 1_565
O2 Eu3 C44 86.7(3) . 1_565
O3 Eu3 C44 28.1(3) 1_565 1_565
O6 Eu3 C44 117.4(3) 1_665 1_565
O5 Eu3 C44 88.6(3) 1_665 1_565
O4 Eu3 C44 27.7(3) 1_565 1_565
O15 Eu3 C37 102.4(3) 2_556 1_665
O2 Eu3 C37 130.6(3) . 1_665
O3 Eu3 C37 119.5(3) 1_565 1_665
O6 Eu3 C37 27.9(3) 1_665 1_665
O5 Eu3 C37 26.9(3) 1_665 1_665
O4 Eu3 C37 84.7(3) 1_565 1_665
C44 Eu3 C37 103.0(3) 1_565 1_665
O15 Eu3 O1 79.5(3) 2_556 .
O2 Eu3 O1 48.6(2) . .
O3 Eu3 O1 138.9(2) 1_565 .
O6 Eu3 O1 70.2(2) 1_665 .
O5 Eu3 O1 123.1(2) 1_665 .
O4 Eu3 O1 116.3(2) 1_565 .
C44 Eu3 O1 132.5(3) 1_565 .
C37 Eu3 O1 97.5(3) 1_665 .
O15 Eu3 C1 91.9(3) 2_556 .
O2 Eu3 C1 23.5(3) . .
O3 Eu3 C1 114.3(3) 1_565 .
O6 Eu3 C1 88.5(3) 1_665 .
O5 Eu3 C1 143.1(3) 1_665 .
O4 Eu3 C1 99.8(3) 1_565 .
C44 Eu3 C1 109.2(3) 1_565 .
C37 Eu3 C1 116.2(4) 1_665 .
O1 Eu3 C1 25.1(3) . .
O15 Eu3 C80 21.2(3) 2_556 2_556
O2 Eu3 C80 101.2(3) . 2_556
O3 Eu3 C80 128.1(3) 1_565 2_556
O6 Eu3 C80 82.7(3) 1_665 2_556
O5 Eu3 C80 93.6(3) 1_665 2_556
O4 Eu3 C80 173.8(3) 1_565 2_556
C44 Eu3 C80 156.0(3) 1_565 2_556
C37 Eu3 C80 89.1(3) 1_665 2_556
O1 Eu3 C80 64.5(3) . 2_556
C1 Eu3 C80 82.9(3) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1S O17 1.19(2) .
C1S N1 1.44(2) .
C1S H1S 0.9300 .
C2S N1 1.53(2) .
C2S H2SA 0.9600 .
C2S H2SB 0.9600 .
C2S H2SC 0.9600 .
C3 C4 1.372(15) .
C3 C2 1.407(16) .
C3 H3 0.9300 .
C3S N1 1.48(2) .
C3S H3SA 0.9600 .
C3S H3SB 0.9600 .
C3S H3SC 0.9600 .
C4 C5 1.356(14) .
C4 H4 0.9300 .
C4S N3 1.42(3) .
C4S H4SA 0.9600 .
C4S H4SB 0.9600 .
C4S H4SC 0.9600 .
C5S O19 1.25(2) .
C5S N3 1.31(3) .
C5S H5S 0.9300 .
C6 C7 1.353(15) .
C6 C5 1.364(14) .
C6 H6 0.9300 .
C6S N3 1.50(3) .
C6S H6SA 0.9600 .
C6S H6SB 0.9600 .
C6S H6SC 0.9600 .
C7 C2 1.389(14) .
C7 H7 0.9300 .
C8 C9 1.370(13) .
C8 C13 1.394(13) .
C8 C5 1.519(14) .
C9 C10 1.386(14) .
C9 H9 0.9300 .
C10 C11 1.362(13) .
C10 C14 1.499(14) .
C11 O22 1.368(12) .
C11 C12 1.384(13) .
C12 C13 1.395(13) .
C12 C25 1.497(13) .
C13 O23 1.363(11) .
C14 C15 1.387(15) .
C14 C19 1.389(15) .
C15 C16 1.421(16) .
C15 H15 0.9300 .
C16 C17 1.362(16) .
C16 H16 0.9300 .
C17 C18 1.351(14) .
C17 C20 1.471(14) .
C18 C19 1.399(15) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 O10 1.249(12) .
C20 O9 1.274(12) .
C20 Eu2 2.939(10) 2_455
C21 O22 1.333(17) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 O23 1.401(13) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 O20 1.462(13) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 O21 1.421(13) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.391(14) .
C25 C30 1.400(13) .
C26 C27 1.372(13) .
C26 O20 1.384(11) .
C27 C28 1.397(14) .
C27 C31 1.492(14) .
C28 C29 1.372(14) .
C28 H28 0.9300 .
C29 C30 1.399(14) .
C29 C38 1.489(13) .
C30 O21 1.386(12) .
C32 C31 1.362(14) .
C32 C33 1.393(15) .
C32 H32 0.9300 .
C8S O18 1.25(2) .
C8S N2 1.31(2) .
C8S H8S 0.9300 .
C33 C36 1.357(14) .
C33 H33 0.9300 .
C35 C36 1.394(14) .
C35 C34 1.415(15) .
C35 H35 0.9300 .
C34 C31 1.381(14) .
C34 H34 0.9300 .
C37 O5 1.219(11) .
C37 O6 1.263(12) .
C37 C36 1.524(15) .
C37 Cd3 2.697(10) 1_445
C37 Eu3 2.697(10) 1_445
C38 C39 1.375(13) .
C38 C43 1.376(14) .
C39 C40 1.356(13) .
C39 H39 0.9300 .
C40 C41 1.404(14) .
C40 H40 0.9300 .
C41 C42 1.376(14) .
C41 C44 1.511(14) .
C42 C43 1.367(14) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 O4 1.240(12) .
C44 O3 1.258(12) .
C44 Cd3 2.665(10) 1_545
C44 Eu3 2.665(10) 1_545
C45 O8 1.243(13) .
C45 O7 1.269(12) .
C45 C46 1.514(16) .
C45 Cd2 2.682(12) 1_655
C45 Eu2 2.682(12) 1_655
C46 C51 1.377(15) .
C46 C47 1.382(14) .
C47 C48 1.386(15) .
C47 H47 0.9300 .
C48 C49 1.365(15) .
C48 H48 0.9300 .
C49 C50 1.410(15) .
C49 C52 1.510(15) .
C50 C51 1.355(16) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C53 1.374(14) .
C52 C57 1.401(15) .
C53 C54 1.394(15) .
C53 H53 0.9300 .
C54 C55 1.407(14) .
C54 C60 1.471(14) .
C55 O26 1.364(12) .
C55 C56 1.401(14) .
C56 C57 1.359(16) .
C56 C68 1.494(14) .
C57 O27 1.399(12) .
C58 O27 1.493(15) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 O26 1.438(18) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C60 C65 1.379(15) .
C60 C61 1.413(14) .
C61 C62 1.364(14) .
C61 H61 0.9300 .
C62 C63 1.367(15) .
C62 H62 0.9300 .
C63 C64 1.392(14) .
C63 C88 1.526(14) .
C64 C65 1.373(14) .
C64 H64 0.9300 .
C65 H65 0.9300 .
C88 O14 1.233(13) .
C88 O13 1.247(13) .
C88 Eu2 2.645(11) .
C66 O24 1.468(16) .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 O25 1.41(2) .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C68 C73 1.383(14) .
C68 C69 1.393(14) .
C69 O24 1.388(12) .
C69 C70 1.403(15) .
C70 C71 1.385(15) .
C70 C81 1.450(16) .
C71 C72 1.404(15) .
C71 H71 0.9300 .
C72 C73 1.404(15) .
C72 C74 1.495(15) .
C73 O25 1.364(13) .
C75 C74 1.341(19) .
C75 C76 1.43(2) .
C75 H75 0.9300 .
C76 C77 1.338(18) .
C76 H76 0.9300 .
C78 C77 1.322(15) .
C78 C79 1.370(17) .
C78 H78 0.9300 .
C79 C74 1.336(17) .
C79 H79 0.9300 .
C80 O16 1.232(13) .
C80 O15 1.268(13) .
C80 C77 1.496(15) .
C80 Eu3 3.025(12) 2_556
C81 C82 1.373(17) .
C81 C86 1.433(16) .
C82 C83 1.383(17) .
C82 H82 0.9300 .
C83 C84 1.347(16) .
C83 H83 0.9300 .
C84 C85 1.379(16) .
C84 C87 1.512(14) .
C85 C86 1.425(16) .
C85 H85 0.9300 .
C86 H86 0.9300 .
C87 O12 1.181(10) .
C87 O11 1.286(10) .
C87 Eu2 3.132(8) 1_545
C9S N2 1.72(3) .
C9S H9SA 0.9600 .
C9S H9SB 0.9600 .
C9S H9SC 0.9600 .
N2 C7S 1.48(3) .
C7S H7SA 0.9600 .
C7S H7SB 0.9600 .
C7S H7SC 0.9600 .
O1 C1 1.268(14) .
O1 Eu1 2.309(7) .
O1 Eu3 2.891(7) .
O3 Cd3 2.265(6) 1_545
O3 Eu3 2.265(6) 1_545
O4 Cd3 2.427(7) 1_545
O4 Eu3 2.427(7) 1_545
O5 Cd3 2.393(7) 1_445
O5 Eu3 2.393(7) 1_445
O6 Cd3 2.355(7) 1_445
O6 Eu3 2.355(7) 1_445
O6 Eu1 2.383(7) 1_445
O6 Cd1 2.383(7) 1_445
O7 Cd2 2.351(7) 1_655
O7 Eu2 2.351(7) 1_655
O7 Eu1 2.401(6) .
O8 Cd2 2.378(8) 1_655
O8 Eu2 2.378(8) 1_655
O9 Cd1 2.350(8) 2
O9 Eu1 2.350(8) 2
O9 Eu2 2.979(7) 2_455
O10 Cd2 2.218(7) 2_455
O10 Eu2 2.218(7) 2_455
O11 Cd1 2.395(7) 1_445
O11 Eu1 2.395(7) 1_445
O12 Cd2 2.236(7) 1_545
O12 Eu2 2.236(7) 1_545
O13 Eu2 2.248(7) .
O14 Eu2 2.422(7) .
O15 Cd3 2.181(7) 2_556
O15 Eu3 2.181(7) 2_556
O16 Cd1 2.388(8) 2_556
O16 Eu1 2.388(8) 2_556
O17 Eu1 2.491(8) .
O18 Eu1 2.487(8) .
C2 C1 1.492(16) .
O2 C1 1.260(13) .
O2 Eu3 2.237(8) .
C1 Eu3 2.942(11) .
Eu1 O9 2.350(8) 2
Eu1 O6 2.383(7) 1_665
Eu1 O16 2.388(8) 2_556
Eu1 O11 2.395(7) 1_665
Eu1 Cd2 3.8089(10) 1_655
Eu1 Eu2 3.8089(10) 1_655
Eu1 Eu3 3.8433(10) .
Eu2 O10 2.218(7) 2_455
Eu2 O12 2.236(7) 1_565
Eu2 O7 2.351(7) 1_455
Eu2 O8 2.378(8) 1_455
Eu2 C45 2.682(12) 1_455
Eu2 C20 2.939(10) 2_455
Eu2 O9 2.979(7) 2_455
Eu2 C87 3.132(8) 1_565
Eu2 Cd1 3.8089(9) 1_455
Eu3 O15 2.180(7) 2_556
Eu3 O3 2.265(6) 1_565
Eu3 O6 2.355(7) 1_665
Eu3 O5 2.393(7) 1_665
Eu3 O4 2.427(7) 1_565
Eu3 C44 2.665(10) 1_565
Eu3 C37 2.697(10) 1_665
Eu3 C80 3.025(12) 2_556
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C2 C3 C4 C5 3.8(18) . .
C5 C6 C7 C2 2.3(18) . .
C13 C8 C9 C10 -2.5(15) . .
C5 C8 C9 C10 171.2(9) . .
C8 C9 C10 C11 0.6(16) . .
C8 C9 C10 C14 -172.9(9) . .
C9 C10 C11 O22 177.5(9) . .
C14 C10 C11 O22 -9.5(16) . .
C9 C10 C11 C12 2.9(16) . .
C14 C10 C11 C12 175.9(10) . .
C10 C11 C12 C13 -4.4(15) . .
O22 C11 C12 C13 -178.9(9) . .
C10 C11 C12 C25 173.7(10) . .
O22 C11 C12 C25 -0.8(15) . .
C9 C8 C13 O23 -178.8(9) . .
C5 C8 C13 O23 8.0(15) . .
C9 C8 C13 C12 1.0(15) . .
C5 C8 C13 C12 -172.3(9) . .
C11 C12 C13 O23 -177.9(9) . .
C25 C12 C13 O23 3.9(13) . .
C11 C12 C13 C8 2.4(15) . .
C25 C12 C13 C8 -175.8(9) . .
C11 C10 C14 C15 130.9(12) . .
C9 C10 C14 C15 -56.0(14) . .
C11 C10 C14 C19 -54.3(15) . .
C9 C10 C14 C19 118.8(11) . .
C19 C14 C15 C16 -2.7(17) . .
C10 C14 C15 C16 172.1(10) . .
C14 C15 C16 C17 2.8(18) . .
C15 C16 C17 C18 -2.2(17) . .
C15 C16 C17 C20 -179.0(11) . .
C16 C17 C18 C19 1.6(17) . .
C20 C17 C18 C19 178.3(11) . .
C15 C14 C19 C18 2.2(17) . .
C10 C14 C19 C18 -172.6(10) . .
C17 C18 C19 C14 -1.6(18) . .
C18 C17 C20 O10 -177.0(10) . .
C16 C17 C20 O10 -0.2(15) . .
C18 C17 C20 O9 4.5(16) . .
C16 C17 C20 O9 -178.7(10) . .
C18 C17 C20 Eu2 153.7(19) . 2_455
C16 C17 C20 Eu2 -30(3) . 2_455
C11 C12 C25 C26 -85.3(13) . .
C13 C12 C25 C26 92.8(11) . .
C11 C12 C25 C30 98.2(12) . .
C13 C12 C25 C30 -83.6(12) . .
C30 C25 C26 C27 1.7(15) . .
C12 C25 C26 C27 -174.9(9) . .
C30 C25 C26 O20 175.4(8) . .
C12 C25 C26 O20 -1.2(13) . .
O20 C26 C27 C28 -177.6(9) . .
C25 C26 C27 C28 -4.2(15) . .
O20 C26 C27 C31 4.1(15) . .
C25 C26 C27 C31 177.5(9) . .
C26 C27 C28 C29 4.1(15) . .
C31 C27 C28 C29 -177.5(10) . .
C27 C28 C29 C30 -1.4(16) . .
C27 C28 C29 C38 174.3(9) . .
C28 C29 C30 O21 179.9(9) . .
C38 C29 C30 O21 4.4(15) . .
C28 C29 C30 C25 -1.3(15) . .
C38 C29 C30 C25 -176.8(9) . .
C26 C25 C30 O21 180.0(9) . .
C12 C25 C30 O21 -3.5(14) . .
C26 C25 C30 C29 1.2(15) . .
C12 C25 C30 C29 177.7(9) . .
C31 C32 C33 C36 -2.9(15) . .
C36 C35 C34 C31 -2.0(14) . .
C28 C29 C38 C39 -41.6(14) . .
C30 C29 C38 C39 133.8(11) . .
C28 C29 C38 C43 134.3(11) . .
C30 C29 C38 C43 -50.3(15) . .
C43 C38 C39 C40 4.1(16) . .
C29 C38 C39 C40 -179.9(10) . .
C38 C39 C40 C41 -1.4(16) . .
C39 C40 C41 C42 -2.8(16) . .
C39 C40 C41 C44 -179.2(10) . .
C40 C41 C42 C43 4.1(16) . .
C44 C41 C42 C43 -179.4(10) . .
C41 C42 C43 C38 -1.4(16) . .
C39 C38 C43 C42 -2.7(16) . .
C29 C38 C43 C42 -178.6(10) . .
C42 C41 C44 O4 -8.9(15) . .
C40 C41 C44 O4 167.5(10) . .
C42 C41 C44 O3 171.7(10) . .
C40 C41 C44 O3 -11.9(15) . .
O8 C45 C46 C51 -11.1(14) . .
O7 C45 C46 C51 167.4(9) . .
O8 C45 C46 C47 167.2(9) . .
O7 C45 C46 C47 -14.3(13) . .
C51 C46 C47 C48 -2.5(14) . .
C45 C46 C47 C48 179.1(9) . .
C46 C47 C48 C49 -1.0(14) . .
C47 C48 C49 C50 4.5(15) . .
C47 C48 C49 C52 -171.2(9) . .
C48 C49 C50 C51 -4.4(15) . .
C52 C49 C50 C51 171.2(9) . .
C49 C50 C51 C46 0.7(16) . .
C47 C46 C51 C50 2.7(15) . .
C45 C46 C51 C50 -179.0(9) . .
C48 C49 C52 C53 46.6(14) . .
C50 C49 C52 C53 -129.0(10) . .
C48 C49 C52 C57 -135.0(11) . .
C50 C49 C52 C57 49.4(15) . .
C57 C52 C53 C54 -1.6(16) . .
C49 C52 C53 C54 176.9(10) . .
C52 C53 C54 C55 1.6(16) . .
C52 C53 C54 C60 -175.3(10) . .
C53 C54 C55 O26 179.1(9) . .
C60 C54 C55 O26 -4.1(16) . .
C53 C54 C55 C56 -1.5(15) . .
C60 C54 C55 C56 175.2(10) . .
O26 C55 C56 C57 -179.2(10) . .
C54 C55 C56 C57 1.4(16) . .
O26 C55 C56 C68 2.4(15) . .
C54 C55 C56 C68 -177.0(9) . .
C55 C56 C57 O27 -176.7(9) . .
C68 C56 C57 O27 1.7(15) . .
C55 C56 C57 C52 -1.4(16) . .
C68 C56 C57 C52 177.0(10) . .
C53 C52 C57 C56 1.5(16) . .
C49 C52 C57 C56 -176.9(10) . .
C53 C52 C57 O27 176.6(9) . .
C49 C52 C57 O27 -1.8(16) . .
C53 C54 C60 C65 -135.4(12) . .
C55 C54 C60 C65 48.0(16) . .
C53 C54 C60 C61 43.1(14) . .
C55 C54 C60 C61 -133.5(11) . .
C65 C60 C61 C62 -3.4(16) . .
C54 C60 C61 C62 178.0(10) . .
C60 C61 C62 C63 1.7(16) . .
C61 C62 C63 C64 0.2(16) . .
C61 C62 C63 C88 -177.4(10) . .
C62 C63 C64 C65 -0.4(17) . .
C88 C63 C64 C65 177.3(10) . .
C63 C64 C65 C60 -1.4(18) . .
C61 C60 C65 C64 3.3(17) . .
C54 C60 C65 C64 -178.2(11) . .
C62 C63 C88 O14 -171.7(10) . .
C64 C63 C88 O14 10.6(16) . .
C62 C63 C88 O13 8.6(15) . .
C64 C63 C88 O13 -169.1(10) . .
C57 C56 C68 C73 76.8(14) . .
C55 C56 C68 C73 -104.7(12) . .
C57 C56 C68 C69 -100.9(13) . .
C55 C56 C68 C69 77.5(14) . .
C73 C68 C69 O24 179.6(10) . .
C56 C68 C69 O24 -2.6(16) . .
C73 C68 C69 C70 -2.0(17) . .
C56 C68 C69 C70 175.8(11) . .
O24 C69 C70 C71 179.0(11) . .
C68 C69 C70 C71 0.7(18) . .
O24 C69 C70 C81 -4.4(19) . .
C68 C69 C70 C81 177.2(12) . .
C69 C70 C71 C72 1.2(19) . .
C81 C70 C71 C72 -175.4(12) . .
C70 C71 C72 C73 -1.7(19) . .
C70 C71 C72 C74 177.1(12) . .
C69 C68 C73 O25 178.7(10) . .
C56 C68 C73 O25 0.9(17) . .
C69 C68 C73 C72 1.5(17) . .
C56 C68 C73 C72 -176.3(11) . .
C71 C72 C73 O25 -176.9(11) . .
C74 C72 C73 O25 4.3(18) . .
C71 C72 C73 C68 0.3(18) . .
C74 C72 C73 C68 -178.5(11) . .
C74 C75 C76 C77 8(3) . .
C77 C78 C79 C74 5(3) . .
C71 C70 C81 C82 125.3(14) . .
C69 C70 C81 C82 -51(2) . .
C71 C70 C81 C86 -51.4(18) . .
C69 C70 C81 C86 132.2(13) . .
C86 C81 C82 C83 6(2) . .
C70 C81 C82 C83 -170.3(13) . .
C81 C82 C83 C84 -1(2) . .
C82 C83 C84 C85 -5(2) . .
C82 C83 C84 C87 -179.4(11) . .
C83 C84 C85 C86 6.6(18) . .
C87 C84 C85 C86 -179.1(10) . .
C84 C85 C86 C81 -1.4(18) . .
C82 C81 C86 C85 -5.0(18) . .
C70 C81 C86 C85 171.8(11) . .
C83 C84 C87 O12 169.3(11) . .
C85 C84 C87 O12 -4.7(14) . .
C83 C84 C87 O11 -26.5(14) . .
C85 C84 C87 O11 159.5(10) . .
C83 C84 C87 Eu2 178.5(9) . 1_545
C85 C84 C87 Eu2 4.5(19) . 1_545
O17 C1S N1 C3S 2(3) . .
O17 C1S N1 C2S 173.6(18) . .
O18 C8S N2 C7S 175(3) . .
O18 C8S N2 C9S 1(4) . .
O19 C5S N3 C4S -176(2) . .
O19 C5S N3 C6S 6(4) . .
O4 C44 O3 Cd3 -0.2(11) . 1_545
C41 C44 O3 Cd3 179.2(8) . 1_545
Eu3 C44 O3 Cd3 0.000(0) 1_545 1_545
O4 C44 O3 Eu3 -0.2(11) . 1_545
C41 C44 O3 Eu3 179.2(8) . 1_545
Cd3 C44 O3 Eu3 0.000(0) 1_545 1_545
O3 C44 O4 Cd3 0.1(10) . 1_545
C41 C44 O4 Cd3 -179.2(9) . 1_545
Eu3 C44 O4 Cd3 0.000(0) 1_545 1_545
O3 C44 O4 Eu3 0.1(10) . 1_545
C41 C44 O4 Eu3 -179.2(9) . 1_545
Cd3 C44 O4 Eu3 0.000(0) 1_545 1_545
O6 C37 O5 Cd3 -4.5(10) . 1_445
C36 C37 O5 Cd3 173.2(7) . 1_445
Eu3 C37 O5 Cd3 0.0 1_445 1_445
O6 C37 O5 Eu3 -4.5(10) . 1_445
C36 C37 O5 Eu3 173.2(7) . 1_445
Cd3 C37 O5 Eu3 0.0 1_445 1_445
O5 C37 O6 Cd3 4.6(10) . 1_445
C36 C37 O6 Cd3 -173.2(7) . 1_445
Eu3 C37 O6 Cd3 0.0 1_445 1_445
O5 C37 O6 Eu3 4.6(10) . 1_445
C36 C37 O6 Eu3 -173.2(7) . 1_445
Cd3 C37 O6 Eu3 0.0 1_445 1_445
O5 C37 O6 Eu1 -120.3(11) . 1_445
C36 C37 O6 Eu1 62.0(14) . 1_445
Cd3 C37 O6 Eu1 -124.9(11) 1_445 1_445
Eu3 C37 O6 Eu1 -124.9(11) 1_445 1_445
O5 C37 O6 Cd1 -120.3(11) . 1_445
C36 C37 O6 Cd1 62.0(14) . 1_445
Cd3 C37 O6 Cd1 -124.9(11) 1_445 1_445
Eu3 C37 O6 Cd1 -124.9(11) 1_445 1_445
O8 C45 O7 Cd2 -7.0(10) . 1_655
C46 C45 O7 Cd2 174.5(7) . 1_655
Eu2 C45 O7 Cd2 0.000(1) 1_655 1_655
O8 C45 O7 Eu2 -7.0(10) . 1_655
C46 C45 O7 Eu2 174.5(7) . 1_655
Cd2 C45 O7 Eu2 0.000(1) 1_655 1_655
O8 C45 O7 Eu1 106.1(11) . .
C46 C45 O7 Eu1 -72.4(12) . .
Cd2 C45 O7 Eu1 113.1(8) 1_655 .
Eu2 C45 O7 Eu1 113.1(8) 1_655 .
O7 C45 O8 Cd2 7.0(10) . 1_655
C46 C45 O8 Cd2 -174.6(8) . 1_655
Eu2 C45 O8 Cd2 0.000(1) 1_655 1_655
O7 C45 O8 Eu2 7.0(10) . 1_655
C46 C45 O8 Eu2 -174.6(8) . 1_655
Cd2 C45 O8 Eu2 0.000(1) 1_655 1_655
O10 C20 O9 Cd1 46(2) . 2
C17 C20 O9 Cd1 -135.3(14) . 2
Eu2 C20 O9 Cd1 54.2(17) 2_455 2
O10 C20 O9 Eu1 46(2) . 2
C17 C20 O9 Eu1 -135.3(14) . 2
Eu2 C20 O9 Eu1 54.2(17) 2_455 2
O10 C20 O9 Eu2 -8.0(9) . 2_455
C17 C20 O9 Eu2 170.4(10) . 2_455
O9 C20 O10 Cd2 11.4(13) . 2_455
C17 C20 O10 Cd2 -167.0(7) . 2_455
Eu2 C20 O10 Cd2 0.000(2) 2_455 2_455
O9 C20 O10 Eu2 11.4(13) . 2_455
C17 C20 O10 Eu2 -167.0(7) . 2_455
O12 C87 O11 Cd1 -18.7(14) . 1_445
C84 C87 O11 Cd1 178.7(7) . 1_445
Eu2 C87 O11 Cd1 -13.7(9) 1_545 1_445
O12 C87 O11 Eu1 -18.7(14) . 1_445
C84 C87 O11 Eu1 178.7(7) . 1_445
Eu2 C87 O11 Eu1 -13.7(9) 1_545 1_445
O11 C87 O12 Cd2 9.1(13) . 1_545
C84 C87 O12 Cd2 171.4(6) . 1_545
Eu2 C87 O12 Cd2 0.000(1) 1_545 1_545
O11 C87 O12 Eu2 9.1(13) . 1_545
C84 C87 O12 Eu2 171.4(6) . 1_545
O14 C88 O13 Eu2 -4.1(12) . .
C63 C88 O13 Eu2 175.6(8) . .
O13 C88 O14 Eu2 3.8(11) . .
C63 C88 O14 Eu2 -175.9(9) . .
O16 C80 O15 Cd3 -2.1(17) . 2_556
C77 C80 O15 Cd3 178.3(7) . 2_556
Eu3 C80 O15 Cd3 0.000(6) 2_556 2_556
O16 C80 O15 Eu3 -2.1(17) . 2_556
C77 C80 O15 Eu3 178.3(7) . 2_556
O15 C80 O16 Cd1 25(2) . 2_556
C77 C80 O16 Cd1 -155.1(11) . 2_556
Eu3 C80 O16 Cd1 24.0(16) 2_556 2_556
O15 C80 O16 Eu1 25(2) . 2_556
C77 C80 O16 Eu1 -155.1(11) . 2_556
Eu3 C80 O16 Eu1 24.0(16) 2_556 2_556
N1 C1S O17 Eu1 176.8(11) . .
N2 C8S O18 Eu1 -174.0(17) . .
C27 C26 O20 C23 -77.2(12) . .
C25 C26 O20 C23 109.1(10) . .
C29 C30 O21 C24 -75.7(12) . .
C25 C30 O21 C24 105.5(10) . .
C10 C11 O22 C21 121.7(13) . .
C12 C11 O22 C21 -63.7(15) . .
C8 C13 O23 C22 78.1(12) . .
C12 C13 O23 C22 -101.6(11) . .
C68 C69 O24 C66 92.1(12) . .
C70 C69 O24 C66 -86.3(13) . .
C68 C73 O25 C67 80.4(16) . .
C72 C73 O25 C67 -102.4(15) . .
C56 C55 O26 C59 -108.9(12) . .
C54 C55 O26 C59 70.5(14) . .
C56 C57 O27 C58 -115.7(11) . .
C52 C57 O27 C58 69.0(13) . .
C32 C33 C36 C35 4.2(14) . .
C32 C33 C36 C37 -172.7(8) . .
C34 C35 C36 C33 -1.8(14) . .
C34 C35 C36 C37 175.1(8) . .
O5 C37 C36 C33 -176.3(9) . .
O6 C37 C36 C33 1.6(13) . .
O5 C37 C36 C35 6.8(14) . .
O6 C37 C36 C35 -175.3(9) . .
C3 C4 C5 C6 2.8(17) . .
C3 C4 C5 C8 -172.1(10) . .
C7 C6 C5 C4 -6.0(17) . .
C7 C6 C5 C8 169.0(10) . .
C9 C8 C5 C4 45.9(14) . .
C13 C8 C5 C4 -140.8(11) . .
C9 C8 C5 C6 -129.0(11) . .
C13 C8 C5 C6 44.3(15) . .
C33 C32 C31 C34 -1.0(15) . .
C33 C32 C31 C27 172.9(9) . .
C35 C34 C31 C32 3.4(14) . .
C35 C34 C31 C27 -170.6(9) . .
C26 C27 C31 C32 131.6(11) . .
C28 C27 C31 C32 -46.7(14) . .
C26 C27 C31 C34 -54.5(14) . .
C28 C27 C31 C34 127.2(10) . .
C6 C7 C2 C3 4.5(17) . .
C6 C7 C2 C1 -173.5(11) . .
C4 C3 C2 C7 -7.4(17) . .
C4 C3 C2 C1 170.7(11) . .
C78 C79 C74 C75 6(2) . .
C78 C79 C74 C72 176.7(13) . .
C76 C75 C74 C79 -12(3) . .
C76 C75 C74 C72 176.8(16) . .
C73 C72 C74 C79 69.3(18) . .
C71 C72 C74 C79 -109.5(15) . .
C73 C72 C74 C75 -120.1(17) . .
C71 C72 C74 C75 61(2) . .
C79 C78 C77 C76 -9(2) . .
C79 C78 C77 C80 179.2(13) . .
C75 C76 C77 C78 2(3) . .
C75 C76 C77 C80 174.6(17) . .
O16 C80 C77 C78 -0.6(18) . .
O15 C80 C77 C78 179.0(12) . .
Eu3 C80 C77 C78 -178.5(14) 2_556 .
O16 C80 C77 C76 -172.3(14) . .
O15 C80 C77 C76 7.4(18) . .
Eu3 C80 C77 C76 10(3) 2_556 .
Eu3 O2 C1 O1 -2.0(13) . .
Eu3 O2 C1 C2 -179.2(8) . .
Eu1 O1 C1 O2 -79.0(19) . .
Eu3 O1 C1 O2 1.5(10) . .
Eu1 O1 C1 C2 98.0(16) . .
Eu3 O1 C1 C2 178.5(10) . .
Eu1 O1 C1 Eu3 -80.5(14) . .
C7 C2 C1 O2 -164.0(11) . .
C3 C2 C1 O2 18.0(17) . .
C7 C2 C1 O1 18.9(17) . .
C3 C2 C1 O1 -159.1(11) . .
C7 C2 C1 Eu3 -166(2) . .
C3 C2 C1 Eu3 16(3) . .
