#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/38/4303805.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_4303805
loop_
_publ_author_name
'T. K. Prasad'
'M. V. Rajasekharan'
_publ_contact_author_address
;School of Chemistry,
University of Hyderabad,
Hyderabad-500046,
India.
;
_publ_contact_author_email       mvrsc@uohyd.ernet.in
_publ_contact_author_fax         +91-40-2301-2460
_publ_contact_author_name        'Rajasekharan, M. V.'
_publ_contact_author_phone       +91-40-2313-4857
_publ_section_title
;
Cerium(IV)-Lanthanide(III)-Pyridine-2,6-dicarboxylic Acid System:
Coordination Salts, Chains, and Rings
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11543
_journal_page_last               11550
_journal_paper_doi               10.1021/ic901066v
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C21 H9 Ce N3 O12, C7 H16 Eu N O10, 7(H2 O) '
_chemical_formula_sum            'C28 H39 Ce Eu N4 O29'
_chemical_formula_weight         1187.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.017(3)
_cell_angle_beta                 105.548(3)
_cell_angle_gamma                99.690(3)
_cell_formula_units_Z            2
_cell_length_a                   12.101(2)
_cell_length_b                   12.882(3)
_cell_length_c                   14.709(3)
_cell_measurement_reflns_used    6211
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1988.1(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-III (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22932
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.16
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    2.803
_exptl_absorpt_correction_T_max  0.799
_exptl_absorpt_correction_T_min  0.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocks
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.039
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         9148
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0290
_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)+(0.0390P)²+1.2375P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                8069
_reflns_number_total             9148
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901066v_si_002_06.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4303805
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce Ce 0.242087(14) 0.672909(14) 0.877354(13) 0.02152(5) Uani 1 1 d . . .
Eu Eu 0.371341(14) 0.258018(13) 0.518094(11) 0.02468(5) Uani 1 1 d . . .
C11 C 0.5201(3) 0.6587(3) 0.8772(2) 0.0247(6) Uani 1 1 d . . .
C12 C 0.6378(3) 0.6558(3) 0.9104(3) 0.0302(7) Uani 1 1 d . . .
H12 H 0.6857 0.6595 0.8709 0.036 Uiso 1 1 calc R . .
C13 C 0.6822(3) 0.6473(3) 1.0037(3) 0.0326(7) Uani 1 1 d . . .
H13 H 0.7608 0.6454 1.0280 0.039 Uiso 1 1 calc R . .
C14 C 0.6093(3) 0.6415(3) 1.0605(3) 0.0298(7) Uani 1 1 d . . .
H14 H 0.6381 0.6365 1.1237 0.036 Uiso 1 1 calc R . .
C15 C 0.4925(3) 0.6434(3) 1.0217(2) 0.0244(6) Uani 1 1 d . . .
C21 C 0.0479(3) 0.4095(3) 0.8059(2) 0.0245(6) Uani 1 1 d . . .
C22 C -0.0491(3) 0.3262(3) 0.7948(3) 0.0313(7) Uani 1 1 d . . .
H22 H -0.0570 0.2482 0.7613 0.038 Uiso 1 1 calc R . .
C23 C -0.1343(3) 0.3617(3) 0.8348(3) 0.0326(7) Uani 1 1 d . . .
H23 H -0.2007 0.3076 0.8283 0.039 Uiso 1 1 calc R . .
C24 C -0.1200(3) 0.4776(3) 0.8843(3) 0.0281(7) Uani 1 1 d . . .
H24 H -0.1767 0.5027 0.9112 0.034 Uiso 1 1 calc R . .
C25 C -0.0198(3) 0.5566(3) 0.8937(2) 0.0230(6) Uani 1 1 d . . .
C26 C 0.0080(3) 0.6850(3) 0.9486(2) 0.0260(6) Uani 1 1 d . . .
C27 C 0.1469(3) 0.3842(3) 0.7667(2) 0.0261(6) Uani 1 1 d . . .
C31 C 0.1393(3) 0.8443(3) 0.7651(3) 0.0394(8) Uani 1 1 d . . .
C32 C 0.1225(5) 0.9408(4) 0.7508(4) 0.0798(19) Uani 1 1 d . . .
H32 H 0.0641 0.9347 0.6918 0.096 Uiso 1 1 calc R . .
C33 C 0.1948(6) 1.0483(4) 0.8268(5) 0.116(3) Uani 1 1 d . . .
H33 H 0.1852 1.1154 0.8192 0.140 Uiso 1 1 calc R . .
C34 C 0.2794(5) 1.0543(4) 0.9120(4) 0.0806(19) Uani 1 1 d . . .
H34 H 0.3289 1.1254 0.9632 0.097 Uiso 1 1 calc R . .
C35 C 0.2910(3) 0.9536(3) 0.9216(3) 0.0379(8) Uani 1 1 d . . .
C36 C 0.3755(3) 0.9486(3) 1.0148(3) 0.0357(8) Uani 1 1 d . . .
C37 C 0.0685(3) 0.7236(3) 0.6909(3) 0.0379(8) Uani 1 1 d . . .
C41 C 0.2580(3) 0.0303(3) 0.2841(3) 0.0314(7) Uani 1 1 d . . .
C42 C 0.1971(4) -0.0388(3) 0.1792(3) 0.0407(9) Uani 1 1 d . . .
H42 H 0.1922 -0.1168 0.1526 0.049 Uiso 1 1 calc R . .
C43 C 0.1448(4) 0.0098(3) 0.1161(3) 0.0454(10) Uani 1 1 d . . .
H43 H 0.1034 -0.0353 0.0461 0.054 Uiso 1 1 calc R . .
C44 C 0.1535(3) 0.1264(3) 0.1566(3) 0.0379(8) Uani 1 1 d . . .
H44 H 0.1186 0.1612 0.1151 0.046 Uiso 1 1 calc R . .
C45 C 0.2160(3) 0.1886(3) 0.2608(2) 0.0287(7) Uani 1 1 d . . .
C46 C 0.2358(3) 0.3150(3) 0.3177(3) 0.0293(7) Uani 1 1 d . . .
C47 C 0.3183(3) -0.0132(3) 0.3612(3) 0.0354(8) Uani 1 1 d . . .
C61 C 0.4028(3) 0.6374(3) 1.0756(2) 0.0285(7) Uani 1 1 d . . .
C71 C 0.4604(3) 0.6736(3) 0.7803(2) 0.0272(7) Uani 1 1 d . . .
N11 N 0.4504(2) 0.6520(2) 0.9323(2) 0.0235(5) Uani 1 1 d . . .
N21 N 0.0616(2) 0.5222(2) 0.85435(19) 0.0223(5) Uani 1 1 d . . .
N31 N 0.2228(2) 0.8514(2) 0.8488(2) 0.0294(6) Uani 1 1 d . . .
N41 N 0.2662(2) 0.1418(2) 0.3239(2) 0.0276(6) Uani 1 1 d . . .
O11 O 0.3563(2) 0.6864(2) 0.76975(18) 0.0298(5) Uani 1 1 d . . .
O12 O 0.5132(2) 0.6716(2) 0.71860(19) 0.0368(6) Uani 1 1 d . . .
O13 O 0.2976(2) 0.6295(2) 1.02289(18) 0.0308(5) Uani 1 1 d . . .
O14 O 0.4352(3) 0.6383(3) 1.1628(2) 0.0517(8) Uani 1 1 d . . .
O21 O 0.2262(2) 0.47299(19) 0.78055(18) 0.0293(5) Uani 1 1 d . . .
O22 O 0.1493(2) 0.2837(2) 0.7272(2) 0.0383(6) Uani 1 1 d . . .
O23 O 0.1064(2) 0.74165(19) 0.94784(18) 0.0309(5) Uani 1 1 d . . .
O24 O -0.0586(2) 0.7276(2) 0.98862(19) 0.0360(6) Uani 1 1 d . . .
O31 O 0.0975(2) 0.64440(19) 0.71698(18) 0.0319(5) Uani 1 1 d . . .
O32 O -0.0118(3) 0.7057(3) 0.6107(2) 0.0685(10) Uani 1 1 d . . .
O33 O 0.3694(2) 0.8459(2) 1.00806(19) 0.0352(5) Uani 1 1 d . . .
O34 O 0.4399(3) 1.0376(2) 1.0891(2) 0.0527(7) Uani 1 1 d . . .
O41 O 0.3582(2) 0.0576(2) 0.45519(18) 0.0355(5) Uani 1 1 d . . .
O42 O 0.3257(3) -0.1124(2) 0.3277(2) 0.0624(9) Uani 1 1 d . . .
O43 O 0.2948(2) 0.3627(2) 0.41049(17) 0.0325(5) Uani 1 1 d . . .
O44 O 0.1893(3) 0.3669(2) 0.26292(19) 0.0421(6) Uani 1 1 d . . .
H44A H 0.2003 0.4297 0.2896 0.063 Uiso 1 1 d R . .
O51 O 0.5214(2) 0.2524(2) 0.43508(19) 0.0390(6) Uani 1 1 d . . .
H51A H 0.5205 0.2794 0.3902 0.058 Uiso 1 1 d R . .
H51B H 0.5568 0.2009 0.4377 0.058 Uiso 1 1 d R . .
O52 O 0.5601(2) 0.2604(2) 0.63827(19) 0.0385(6) Uani 1 1 d . . .
H52A H 0.5953 0.2004 0.6311 0.058 Uiso 1 1 d R . .
H52B H 0.5697 0.2964 0.7001 0.058 Uiso 1 1 d R . .
O53 O 0.5161(2) 0.4503(2) 0.5884(2) 0.0478(7) Uani 1 1 d . . .
H53A H 0.5055 0.5137 0.6231 0.072 Uiso 1 1 d R . .
H53B H 0.5779 0.4725 0.5852 0.072 Uiso 1 1 d R . .
O54 O 0.2998(3) 0.4126(2) 0.6118(2) 0.0523(8) Uani 1 1 d . . .
H54A H 0.2815 0.4267 0.6660 0.078 Uiso 1 1 d R . .
H54B H 0.3293 0.4900 0.6394 0.078 Uiso 1 1 d R . .
O55 O 0.1553(2) 0.1779(2) 0.4766(2) 0.0420(6) Uani 1 1 d . . .
H55A H 0.1032 0.2168 0.4529 0.063 Uiso 1 1 d R . .
H55B H 0.1209 0.1062 0.4535 0.063 Uiso 1 1 d R . .
O56 O 0.3336(3) 0.2185(3) 0.6599(2) 0.0550(8) Uani 1 1 d . . .
H56A H 0.2804 0.2381 0.6830 0.082 Uiso 1 1 d R . .
H56B H 0.3707 0.2086 0.7070 0.082 Uiso 1 1 d R . .
O1W O 0.7689(3) 0.4235(3) 0.6233(3) 0.0742(11) Uani 1 1 d . . .
H1A H 0.7120 0.3787 0.6274 0.111 Uiso 1 1 d R . .
H1B H 0.7479 0.4047 0.5544 0.111 Uiso 1 1 d R . .
O2W O 0.5251(5) 0.9213(5) 0.2319(3) 0.1247(19) Uani 1 1 d . . .
H2A H 0.4978 0.8415 0.1798 0.187 Uiso 1 1 d R . .
H2B H 0.5341 0.9515 0.1898 0.187 Uiso 1 1 d R . .
O3W O 0.0452(4) 0.9434(4) 0.4004(4) 0.1192(18) Uani 1 1 d . . .
H3A H 0.0606 0.9263 0.4521 0.179 Uiso 1 1 d R . .
H3B H -0.0096 0.8797 0.3647 0.179 Uiso 1 1 d R . .
O4W O 0.3619(4) 0.9140(3) 0.5692(3) 0.0794(11) Uani 1 1 d . . .
H4B H 0.3665 0.9494 0.6246 0.119 Uiso 1 1 d R . .
H4A H 0.3850 0.9594 0.5519 0.119 Uiso 1 1 d R . .
O5W O 0.1277(6) 0.8047(8) 0.4828(6) 0.206(4) Uani 1 1 d . . .
H5A H 0.1992 0.8375 0.5025 0.309 Uiso 1 1 d R . .
H5B H 0.1346 0.7446 0.4588 0.309 Uiso 1 1 d R . .
O6W O 0.0109(7) 0.5822(6) 0.4337(6) 0.199(4) Uani 1 1 d . . .
H6A H 0.0040 0.6389 0.4910 0.299 Uiso 1 1 d R . .
H6B H -0.0352 0.5419 0.3811 0.299 Uiso 1 1 d R . .
O7WA O 0.7682(6) 0.4109(6) 0.4450(5) 0.056(2) Uani 0.514(11) 1 d P A 1
H7A H 0.8177 0.3905 0.4300 0.084 Uiso 0.514(11) 1 d PR A 1
H7B H 0.8565 0.4996 0.4689 0.084 Uiso 0.514(11) 1 d PR A 1
O7WB O 0.8491(7) 0.4901(6) 0.4667(5) 0.067(3) Uani 0.486(11) 1 d P A 2
H7C H 0.8201 0.3902 0.4304 0.100 Uiso 0.486(11) 1 d PR A 2
H7D H 0.8589 0.4993 0.4693 0.100 Uiso 0.486(11) 1 d PR A 2
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'
Ce Ce -0.2486 2.6331 '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
O23 Ce O33 80.65(9) . . y
O23 Ce O13 82.89(8) . . y
O33 Ce O13 76.15(9) . . y
O23 Ce O11 145.95(8) . . y
O33 Ce O11 90.57(9) . . y
O13 Ce O11 127.01(8) . . y
O23 Ce O31 84.26(9) . . y
O33 Ce O31 127.57(8) . . y
O13 Ce O31 150.45(8) . . y
O11 Ce O31 75.21(8) . . y
O23 Ce O21 126.80(8) . . y
O33 Ce O21 144.46(8) . . y
O13 Ce O21 84.78(8) . . y
O11 Ce O21 77.26(8) . . y
O31 Ce O21 81.84(8) . . y
O23 Ce N31 71.44(9) . . y
O33 Ce N31 64.01(9) . . y
O13 Ce N31 135.11(9) . . y
O11 Ce N31 75.13(8) . . y
O31 Ce N31 63.57(8) . . y
O21 Ce N31 140.04(9) . . y
O23 Ce N11 140.34(8) . . y
O33 Ce N11 71.13(8) . . y
O13 Ce N11 63.95(8) . . y
O11 Ce N11 63.20(8) . . y
O31 Ce N11 135.13(8) . . y
O21 Ce N11 73.59(8) . . y
N31 Ce N11 116.99(9) . . y
O23 Ce N21 64.01(8) . . y
O33 Ce N21 136.16(9) . . y
O13 Ce N21 74.56(8) . . y
O11 Ce N21 133.21(8) . . y
O31 Ce N21 75.89(8) . . y
O21 Ce N21 62.81(8) . . y
N31 Ce N21 121.58(8) . . y
N11 Ce N21 121.43(8) . . y
O41 Eu O54 147.46(9) . . y
O41 Eu O51 79.01(9) . . y
O54 Eu O51 133.53(9) . . y
O41 Eu O56 81.12(10) . . y
O54 Eu O56 72.35(10) . . y
O51 Eu O56 139.13(9) . . y
O41 Eu O55 80.82(9) . . y
O54 Eu O55 72.39(10) . . y
O51 Eu O55 140.53(9) . . y
O56 Eu O55 69.01(9) . . y
O41 Eu O53 141.76(9) . . y
O54 Eu O53 67.20(9) . . y
O51 Eu O53 69.23(9) . . y
O56 Eu O53 109.41(11) . . y
O55 Eu O53 137.42(9) . . y
O41 Eu O52 78.97(8) . . y
O54 Eu O52 108.28(10) . . y
O51 Eu O52 71.18(8) . . y
O56 Eu O52 70.17(9) . . y
O55 Eu O52 136.59(9) . . y
O53 Eu O52 71.16(9) . . y
O41 Eu O43 125.89(8) . . y
O54 Eu O43 68.61(9) . . y
O51 Eu O43 83.23(8) . . y
O56 Eu O43 136.64(9) . . y
O55 Eu O43 81.69(8) . . y
O53 Eu O43 71.77(9) . . y
O52 Eu O43 140.44(9) . . y
O41 Eu N41 63.87(8) . . y
O54 Eu N41 120.38(10) . . y
O51 Eu N41 71.22(9) . . y
O56 Eu N41 128.81(10) . . y
O55 Eu N41 69.47(9) . . y
O53 Eu N41 121.33(9) . . y
O52 Eu N41 130.94(8) . . y
O43 Eu N41 62.03(8) . . y
N11 C11 C12 121.4(3) . . ?
N11 C11 C71 113.8(3) . . ?
C12 C11 C71 124.8(3) . . ?
C13 C12 C11 118.3(3) . . ?
C14 C13 C12 119.7(3) . . ?
C13 C14 C15 118.6(3) . . ?
N11 C15 C14 121.5(3) . . ?
N11 C15 C61 114.3(3) . . ?
C14 C15 C61 124.3(3) . . ?
N21 C21 C22 121.9(3) . . ?
N21 C21 C27 113.7(3) . . ?
C22 C21 C27 124.4(3) . . ?
C21 C22 C23 118.3(3) . . ?
C24 C23 C22 119.5(3) . . ?
C23 C24 C25 119.1(3) . . ?
N21 C25 C24 121.3(3) . . ?
N21 C25 C26 114.4(3) . . ?
C24 C25 C26 124.3(3) . . ?
O24 C26 O23 125.5(3) . . ?
O24 C26 C25 121.0(3) . . ?
O23 C26 C25 113.5(3) . . ?
O22 C27 O21 124.9(3) . . ?
O22 C27 C21 120.0(3) . . ?
O21 C27 C21 115.0(3) . . ?
N31 C31 C32 121.6(4) . . ?
N31 C31 C37 113.9(3) . . ?
C32 C31 C37 124.5(4) . . ?
C31 C32 C33 118.5(4) . . ?
C34 C33 C32 119.4(4) . . ?
C33 C34 C35 119.1(4) . . ?
N31 C35 C34 121.4(4) . . ?
N31 C35 C36 114.3(3) . . ?
C34 C35 C36 124.3(4) . . ?
O34 C36 O33 125.9(4) . . ?
O34 C36 C35 120.4(3) . . ?
O33 C36 C35 113.7(3) . . ?
O32 C37 O31 124.2(3) . . ?
O32 C37 C31 120.1(3) . . ?
O31 C37 C31 115.7(3) . . ?
N41 C41 C42 121.5(3) . . ?
N41 C41 C47 114.5(3) . . ?
C42 C41 C47 124.0(3) . . ?
C43 C42 C41 119.1(3) . . ?
C42 C43 C44 120.0(3) . . ?
C45 C44 C43 117.3(3) . . ?
N41 C45 C44 123.4(3) . . ?
N41 C45 C46 111.8(3) . . ?
C44 C45 C46 124.8(3) . . ?
O43 C46 O44 124.4(3) . . ?
O43 C46 C45 119.6(3) . . ?
O44 C46 C45 115.9(3) . . ?
O42 C47 O41 126.3(3) . . ?
O42 C47 C41 117.7(3) . . ?
O41 C47 C41 116.0(3) . . ?
O14 C61 O13 126.1(3) . . ?
O14 C61 C15 119.6(3) . . ?
O13 C61 C15 114.4(3) . . ?
O12 C71 O11 125.8(3) . . ?
O12 C71 C11 119.5(3) . . ?
O11 C71 C11 114.7(3) . . ?
C15 N11 C11 120.5(3) . . ?
C15 N11 Ce 118.6(2) . . ?
C11 N11 Ce 120.8(2) . . ?
C25 N21 C21 119.8(3) . . ?
C25 N21 Ce 118.81(19) . . ?
C21 N21 Ce 121.36(19) . . ?
C35 N31 C31 120.1(3) . . ?
C35 N31 Ce 119.2(2) . . ?
C31 N31 Ce 120.5(2) . . ?
C41 N41 C45 118.8(3) . . ?
C41 N41 Eu 118.9(2) . . ?
C45 N41 Eu 122.3(2) . . ?
C71 O11 Ce 127.3(2) . . ?
C61 O13 Ce 126.5(2) . . ?
C27 O21 Ce 126.75(19) . . ?
C26 O23 Ce 129.3(2) . . ?
C37 O31 Ce 126.0(2) . . ?
C36 O33 Ce 128.8(2) . . ?
C47 O41 Eu 126.2(2) . . ?
C46 O43 Eu 123.9(2) . . ?
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
Ce O23 2.308(2) . y
Ce O33 2.315(2) . y
Ce O13 2.350(2) . y
Ce O11 2.393(2) . y
Ce O31 2.395(2) . y
Ce O21 2.423(2) . y
Ce N31 2.512(3) . y
Ce N11 2.523(2) . y
Ce N21 2.526(3) . y
Eu O41 2.387(2) . y
Eu O54 2.440(3) . y
Eu O51 2.443(2) . y
Eu O56 2.445(3) . y
Eu O55 2.465(3) . y
Eu O53 2.468(3) . y
Eu O52 2.473(2) . y
Eu O43 2.505(2) . y
Eu N41 2.550(3) . y
C11 N11 1.329(4) . ?
C11 C12 1.389(4) . ?
C11 C71 1.507(4) . ?
C12 C13 1.382(5) . ?
C13 C14 1.377(5) . ?
C14 C15 1.384(4) . ?
C15 N11 1.326(4) . ?
C15 C61 1.513(4) . ?
C21 N21 1.338(4) . ?
C21 C22 1.382(4) . ?
C21 C27 1.499(4) . ?
C22 C23 1.385(5) . ?
C23 C24 1.375(5) . ?
C24 C25 1.386(4) . ?
C25 N21 1.333(4) . ?
C25 C26 1.502(4) . ?
C26 O24 1.216(4) . ?
C26 O23 1.292(4) . ?
C27 O22 1.233(4) . ?
C27 O21 1.279(4) . ?
C31 N31 1.330(4) . ?
C31 C32 1.367(5) . ?
C31 C37 1.494(5) . ?
C32 C33 1.393(7) . ?
C33 C34 1.359(7) . ?
C34 C35 1.378(6) . ?
C35 N31 1.326(4) . ?
C35 C36 1.503(5) . ?
C36 O34 1.226(4) . ?
C36 O33 1.280(4) . ?
C37 O32 1.230(4) . ?
C37 O31 1.276(4) . ?
C41 N41 1.327(4) . ?
C41 C42 1.395(5) . ?
C41 C47 1.503(5) . ?
C42 C43 1.368(5) . ?
C43 C44 1.386(5) . ?
C44 C45 1.378(5) . ?
C45 N41 1.340(4) . ?
C45 C46 1.495(4) . ?
C46 O43 1.228(4) . ?
C46 O44 1.290(4) . ?
C47 O42 1.231(4) . ?
C47 O41 1.268(4) . ?
C61 O14 1.232(4) . ?
C61 O13 1.267(4) . ?
C71 O12 1.237(4) . ?
C71 O11 1.274(4) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168336827
