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#$Date: 2025-08-06 00:18:39 +0300 (Wed, 06 Aug 2025) $
#$Revision: 301547 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/47/1574758.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_1574758
loop_
_publ_author_name
'Faltejsek, Jan'
'Urbanovský, Peter'
'Kubíček, Vojtěch'
'Havlíčková, Jana'
'Císařová, Ivana'
'Kotek, Jan'
'Hermann, Petr'
_publ_section_title
;
 Extraordinary kinetic inertness of lanthanide(iii) complexes of
 pyridine-rigidified 18-membered hexaazamacrocycles with four acetate
 pendant arms.
;
_journal_issue                   27
_journal_name_full               'Chemical science'
_journal_page_first              12558
_journal_page_last               12567
_journal_paper_doi               10.1039/d5sc01893e
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C26 H31 Eu N6 O8, 3(H2 O)'
_chemical_formula_sum            'C26 H37 Eu N6 O11'
_chemical_formula_weight         761.57
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2025-02-10 deposited with the CCDC.	2025-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.594(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.1441(15)
_cell_length_b                   37.436(5)
_cell_length_c                   14.4231(19)
_cell_measurement_reflns_used    9690
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.6093
_cell_measurement_theta_min      2.3762
_cell_volume                     6016.9(14)
_computing_cell_refinement       'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.16'
_computing_data_reduction        'SAINT V8.40B (Bruker AXS LLC, 2019)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'XS, VERSION 2013/1'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device       'Bruker D8 VENTURE'
_diffrn_measurement_device_type  'κ-geometry diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            192332
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.593
_diffrn_reflns_theta_min         1.827
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    2.154
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_description       prism
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.212
_exptl_crystal_size_min          0.124
_refine_diff_density_max         3.069
_refine_diff_density_min         -3.827
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     831
_refine_ls_number_reflns         13869
_refine_ls_number_restraints     552
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0631
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0626P)²+90.1270P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1647
_refine_ls_wR_factor_ref         0.1726
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12612
_reflns_number_total             13869
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc01893e2.cif
_cod_data_source_block           haf12eu_68
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1574757--1574764.cif.
;
_cod_original_cell_volume        6016.8(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1574758
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.578
_shelx_estimated_absorpt_t_max   0.776
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1A Eu 0.76424(3) 0.38177(2) 0.61543(4) 0.01660(10) Uani 1 1 d . . . . .
N1A N 0.7664(6) 0.45037(16) 0.6190(5) 0.0173(12) Uani 1 1 d . U . . .
C2A C 0.8687(8) 0.4680(2) 0.6329(6) 0.0201(17) Uani 1 1 d . U . . .
C3A C 0.9771(8) 0.4442(2) 0.6561(7) 0.0214(17) Uani 1 1 d . U . . .
H31 H 1.052356 0.457836 0.647599 0.026 Uiso 1 1 calc R U . . .
H32 H 0.973514 0.436397 0.721607 0.026 Uiso 1 1 calc R U . . .
N4A N 0.9758(7) 0.4122(2) 0.5934(6) 0.0217(16) Uani 1 1 d . U . . .
C5A C 1.0722(7) 0.3869(2) 0.6235(7) 0.0226(17) Uani 1 1 d . U . . .
H51 H 1.149005 0.400034 0.629261 0.027 Uiso 1 1 calc R U . . .
H52 H 1.081950 0.368276 0.575458 0.027 Uiso 1 1 calc R U . . .
C6A C 1.0442(8) 0.3692(2) 0.7155(7) 0.0246(18) Uani 1 1 d . U . . .
H61 H 1.113575 0.354350 0.734982 0.030 Uiso 1 1 calc R U . . .
H62 H 1.032772 0.387883 0.763145 0.030 Uiso 1 1 calc R U . . .
N7A N 0.9349(6) 0.34629(19) 0.7111(6) 0.0200(15) Uani 1 1 d . U . . .
C8A C 0.9632(9) 0.3108(2) 0.6735(7) 0.0231(19) Uani 1 1 d . U . . .
H81 H 0.919666 0.292568 0.709935 0.028 Uiso 1 1 calc R U . . .
H82 H 1.050132 0.306328 0.682166 0.028 Uiso 1 1 calc R U . . .
C9A C 0.9316(8) 0.3059(2) 0.5721(7) 0.0203(18) Uani 1 1 d . U . . .
N10A N 0.8359(7) 0.32438(19) 0.5381(6) 0.0222(15) Uani 1 1 d . U . . .
C11A C 0.7918(8) 0.3161(2) 0.4530(7) 0.0232(18) Uani 1 1 d . U . . .
C12A C 0.6776(8) 0.3348(2) 0.4235(7) 0.0249(18) Uani 1 1 d . U . . .
H121 H 0.696994 0.355385 0.383186 0.030 Uiso 1 1 calc R U . . .
H122 H 0.626016 0.318163 0.387671 0.030 Uiso 1 1 calc R U . . .
N13A N 0.6129(7) 0.34743(19) 0.5063(6) 0.0220(15) Uani 1 1 d . U . . .
C14A C 0.5168(8) 0.3724(2) 0.4774(6) 0.0220(17) Uani 1 1 d . U . . .
H141 H 0.454899 0.359171 0.441566 0.026 Uiso 1 1 calc R U . . .
H142 H 0.550836 0.390942 0.436486 0.026 Uiso 1 1 calc R U . . .
C15A C 0.4594(8) 0.3900(2) 0.5597(7) 0.0264(19) Uani 1 1 d . U . . .
H151 H 0.427209 0.371374 0.601381 0.032 Uiso 1 1 calc R U . . .
H152 H 0.391226 0.404904 0.538072 0.032 Uiso 1 1 calc R U . . .
N16A N 0.5472(6) 0.41317(18) 0.6135(6) 0.0184(14) Uani 1 1 d . U . . .
C17A C 0.5572(8) 0.4486(2) 0.5670(7) 0.0215(17) Uani 1 1 d . U . . .
H171 H 0.484144 0.462736 0.579449 0.026 Uiso 1 1 calc R U . . .
H172 H 0.562380 0.444984 0.499164 0.026 Uiso 1 1 calc R U . . .
C18A C 0.6663(8) 0.4691(2) 0.6005(7) 0.0244(18) Uani 1 1 d . U . . .
C19A C 0.8761(8) 0.5045(2) 0.6366(7) 0.0238(18) Uani 1 1 d . U . . .
H191 H 0.951182 0.516118 0.645492 0.029 Uiso 1 1 calc R U . . .
C20A C 0.7713(8) 0.5241(2) 0.6272(6) 0.0220(16) Uani 1 1 d . U . . .
H201 H 0.772528 0.549396 0.632997 0.026 Uiso 1 1 calc R U . . .
C21A C 0.6646(9) 0.5063(2) 0.6090(8) 0.0292(19) Uani 1 1 d . U . . .
H211 H 0.591429 0.519108 0.602464 0.035 Uiso 1 1 calc R U . . .
C22A C 0.9905(8) 0.2805(2) 0.5191(7) 0.0256(19) Uani 1 1 d . U . . .
H221 H 1.058650 0.268349 0.543364 0.031 Uiso 1 1 calc R U . . .
C23A C 0.9487(9) 0.2733(2) 0.4308(8) 0.028(2) Uani 1 1 d . U . . .
H231 H 0.989204 0.256453 0.393091 0.034 Uiso 1 1 calc R U . . .
C24A C 0.8458(8) 0.2910(2) 0.3968(7) 0.0258(18) Uani 1 1 d . U . . .
H241 H 0.814199 0.285774 0.336910 0.031 Uiso 1 1 calc R U . . .
C30A C 0.9918(8) 0.4239(2) 0.4967(7) 0.0246(18) Uani 1 1 d . U . . .
H301 H 1.058046 0.409853 0.469482 0.030 Uiso 1 1 calc R U . . .
H302 H 1.016517 0.449257 0.496874 0.030 Uiso 1 1 calc R U . . .
C31A C 0.8824(8) 0.4200(2) 0.4352(7) 0.0231(18) Uani 1 1 d . U . . .
O311 O 0.7945(6) 0.40163(17) 0.4637(5) 0.0236(14) Uani 1 1 d . U . . .
O312 O 0.8889(12) 0.4286(4) 0.3482(10) 0.028(3) Uani 0.601(12) 1 d . U P A 1
O313 O 0.8758(19) 0.4423(6) 0.3730(15) 0.028(4) Uani 0.399(12) 1 d . U P A 2
C40A C 0.8861(8) 0.3432(2) 0.8065(7) 0.0247(18) Uani 1 1 d . U . . .
H401 H 0.952822 0.339091 0.851115 0.030 Uiso 1 1 calc R U . . .
H402 H 0.831266 0.322396 0.809558 0.030 Uiso 1 1 calc R U . . .
C41A C 0.8183(8) 0.3770(2) 0.8333(7) 0.0220(18) Uani 1 1 d . U . . .
O411 O 0.7919(6) 0.39922(15) 0.7693(5) 0.0212(13) Uani 1 1 d . U . . .
O412 O 0.7899(7) 0.38017(17) 0.9157(5) 0.0290(15) Uani 1 1 d . U . . .
C50A C 0.5636(9) 0.3156(3) 0.5548(7) 0.025(2) Uani 1 1 d . U . . .
H501 H 0.604040 0.293960 0.531302 0.031 Uiso 1 1 calc R U . . .
H502 H 0.477056 0.313519 0.539454 0.031 Uiso 1 1 calc R U . . .
C51A C 0.5786(8) 0.3171(2) 0.6587(7) 0.0224(18) Uani 1 1 d . U . . .
O511 O 0.6465(6) 0.34088(16) 0.6951(5) 0.0233(13) Uani 1 1 d . U . . .
O512 O 0.5251(8) 0.2941(2) 0.7065(6) 0.045(2) Uani 1 1 d . U . . .
C60A C 0.5154(8) 0.4170(3) 0.7121(7) 0.0256(19) Uani 1 1 d . U . . .
H601 H 0.576007 0.432493 0.742510 0.031 Uiso 1 1 calc R U . . .
H602 H 0.521067 0.393134 0.741675 0.031 Uiso 1 1 calc R U . . .
C61A C 0.3908(8) 0.4323(2) 0.7316(7) 0.0271(19) Uani 1 1 d . U . . .
O611 O 0.3752(8) 0.4352(3) 0.8195(6) 0.050(2) Uani 1 1 d . U . . .
H611 H 0.312188 0.443147 0.853854 0.060 Uiso 1 1 d R U . . .
O612 O 0.3167(6) 0.4400(2) 0.6713(6) 0.0349(17) Uani 1 1 d . U . . .
Eu1B Eu 0.74871(3) 0.61935(2) 0.88272(3) 0.01807(11) Uani 1 1 d . . . . .
N1B N 0.7467(6) 0.55045(17) 0.8761(5) 0.0213(14) Uani 1 1 d . U . . .
C2B C 0.8516(8) 0.5335(2) 0.8621(7) 0.0259(19) Uani 1 1 d . U . . .
C3B C 0.9601(8) 0.5562(2) 0.8478(7) 0.0250(19) Uani 1 1 d . U . . .
H35 H 1.033094 0.541936 0.861256 0.030 Uiso 1 1 calc R U . . .
H36 H 0.962962 0.563882 0.782246 0.030 Uiso 1 1 calc R U . . .
N4B N 0.9587(6) 0.58792(19) 0.9084(6) 0.0210(16) Uani 1 1 d . U . . .
C5B C 1.0552(8) 0.6135(2) 0.8853(8) 0.0252(17) Uani 1 1 d . U . . .
H55 H 1.132503 0.600589 0.881498 0.030 Uiso 1 1 calc R U . . .
H56 H 1.062530 0.631511 0.935386 0.030 Uiso 1 1 calc R U . . .
C6B C 1.0305(8) 0.6320(2) 0.7954(7) 0.0257(19) Uani 1 1 d . U . . .
H65 H 1.100857 0.646762 0.778947 0.031 Uiso 1 1 calc R U . . .
H66 H 1.019002 0.613895 0.746118 0.031 Uiso 1 1 calc R U . . .
N7B N 0.9222(7) 0.65523(19) 0.7992(5) 0.0202(15) Uani 1 1 d . U . . .
C8B C 0.9509(9) 0.6905(3) 0.8425(7) 0.026(2) Uani 1 1 d . U . . .
H85 H 0.910140 0.709446 0.806003 0.031 Uiso 1 1 calc R U . . .
H86 H 1.038412 0.694634 0.837796 0.031 Uiso 1 1 calc R U . . .
C9B C 0.9160(8) 0.6946(2) 0.9425(7) 0.0245(19) Uani 1 1 d . U . . .
N10B N 0.8209(7) 0.67557(19) 0.9680(6) 0.0238(16) Uani 1 1 d . U . . .
C11B C 0.7732(9) 0.6831(2) 1.0511(7) 0.0256(18) Uani 1 1 d . U . . .
C12B C 0.6613(9) 0.6636(3) 1.0756(8) 0.031(2) Uani 1 1 d . U . . .
H125 H 0.608945 0.679274 1.112921 0.037 Uiso 1 1 calc R U . . .
H126 H 0.681421 0.642240 1.113026 0.037 Uiso 1 1 calc R U . . .
N13B N 0.5964(7) 0.6525(2) 0.9878(6) 0.0242(16) Uani 1 1 d . U . . .
C14B C 0.4985(8) 0.6271(3) 1.0093(8) 0.030(2) Uani 1 1 d . U . . .
H145 H 0.434914 0.639663 1.043940 0.036 Uiso 1 1 calc R U . . .
H146 H 0.530377 0.607731 1.049362 0.036 Uiso 1 1 calc R U . . .
C15B C 0.4443(9) 0.6108(3) 0.9210(8) 0.034(2) Uani 1 1 d . U . . .
H155 H 0.411123 0.630457 0.882584 0.040 Uiso 1 1 calc R U . A 1
H156 H 0.376418 0.595311 0.938849 0.040 Uiso 1 1 calc R U . A 1
N16B N 0.5318(14) 0.5884(4) 0.8598(10) 0.014(2) Uani 0.601(12) 1 d . U P A 1
N16C N 0.532(2) 0.5886(7) 0.8917(16) 0.014(2) Uani 0.399(12) 1 d . U P A 2
C17B C 0.5369(10) 0.5524(3) 0.9147(9) 0.037(2) Uani 1 1 d . U . . .
H175 H 0.539665 0.557364 0.982110 0.044 Uiso 1 1 calc R U . A 1
H176 H 0.463811 0.538230 0.901127 0.044 Uiso 1 1 calc R U . A 1
C18B C 0.6464(8) 0.5315(2) 0.8874(8) 0.0264(18) Uani 1 1 d . U . . .
C19B C 0.8568(9) 0.4960(2) 0.8635(7) 0.029(2) Uani 1 1 d . U . . .
H195 H 0.931469 0.483998 0.857579 0.035 Uiso 1 1 calc R U . . .
C20B C 0.7513(9) 0.4767(2) 0.8738(6) 0.0273(18) Uani 1 1 d . U . . .
H205 H 0.752796 0.451347 0.872746 0.033 Uiso 1 1 calc R U . . .
C21B C 0.6452(9) 0.4944(2) 0.8853(8) 0.030(2) Uani 1 1 d . U . . .
H215 H 0.572147 0.481621 0.891809 0.037 Uiso 1 1 calc R U . . .
C22B C 0.9714(9) 0.7200(2) 0.9976(7) 0.0275(19) Uani 1 1 d . U . . .
H225 H 1.039206 0.732873 0.976221 0.033 Uiso 1 1 calc R U . . .
C23B C 0.9256(9) 0.7261(2) 1.0839(7) 0.030(2) Uani 1 1 d . U . . .
H235 H 0.964170 0.742310 1.125180 0.036 Uiso 1 1 calc R U . . .
C24B C 0.8234(8) 0.7085(2) 1.1099(8) 0.0295(19) Uani 1 1 d . U . . .
H245 H 0.787268 0.713641 1.167763 0.035 Uiso 1 1 calc R U . . .
C30B C 0.9731(8) 0.5754(3) 1.0071(7) 0.0252(18) Uani 1 1 d . U . . .
H305 H 1.031989 0.590962 1.039375 0.030 Uiso 1 1 calc R U . . .
H306 H 1.005756 0.550805 1.007099 0.030 Uiso 1 1 calc R U . . .
C31B C 0.8566(8) 0.5758(2) 1.0598(7) 0.0244(18) Uani 1 1 d . U . . .
O315 O 0.7755(7) 0.59691(17) 1.0326(5) 0.0294(15) Uani 1 1 d . U . . .
O316 O 0.8493(7) 0.5565(2) 1.1295(6) 0.0413(19) Uani 1 1 d . U . . .
C40B C 0.8757(8) 0.6592(2) 0.7021(7) 0.0247(19) Uani 1 1 d . U . . .
H405 H 0.944165 0.664132 0.660854 0.030 Uiso 1 1 calc R U . . .
H406 H 0.821500 0.680119 0.699482 0.030 Uiso 1 1 calc R U . . .
C41B C 0.8088(9) 0.6269(3) 0.6656(7) 0.0261(19) Uani 1 1 d . U . . .
O415 O 0.7797(6) 0.60353(16) 0.7279(5) 0.0245(13) Uani 1 1 d . U . . .
O416 O 0.7869(8) 0.6240(2) 0.5834(5) 0.0373(18) Uani 1 1 d . U . . .
C50B C 0.5480(9) 0.6849(3) 0.9381(7) 0.025(2) Uani 1 1 d . U . . .
H505 H 0.588817 0.706342 0.963524 0.030 Uiso 1 1 calc R U . . .
H506 H 0.461574 0.687168 0.952173 0.030 Uiso 1 1 calc R U . . .
C51B C 0.5624(9) 0.6849(3) 0.8326(8) 0.026(2) Uani 1 1 d . U . . .
O515 O 0.6343(6) 0.66195(18) 0.8007(5) 0.0270(15) Uani 1 1 d . U . . .
O516 O 0.5107(7) 0.7086(2) 0.7884(6) 0.0402(19) Uani 1 1 d . U . . .
C60B C 0.5100(15) 0.5870(4) 0.7600(12) 0.020(3) Uani 0.601(12) 1 d . U P A 1
H605 H 0.577005 0.573495 0.732016 0.024 Uiso 0.601(12) 1 calc R U P A 1
H606 H 0.514585 0.611710 0.735978 0.024 Uiso 0.601(12) 1 calc R U P A 1
C61B C 0.3950(15) 0.5709(4) 0.7246(14) 0.026(3) Uani 0.601(12) 1 d . U P A 1
O615 O 0.2962(10) 0.5877(3) 0.7471(8) 0.032(3) Uani 0.601(12) 1 d . U P A 1
H615 H 0.227939 0.582632 0.726372 0.038 Uiso 0.601(12) 1 d R U P A 1
O616 O 0.3969(12) 0.5459(4) 0.6700(11) 0.041(3) Uani 0.601(12) 1 d . U P A 1
C60C C 0.498(2) 0.5833(7) 0.7929(19) 0.020(3) Uani 0.399(12) 1 d . U P A 2
H607 H 0.558035 0.567458 0.764191 0.024 Uiso 0.399(12) 1 calc R U P A 2
H608 H 0.502386 0.606692 0.761200 0.024 Uiso 0.399(12) 1 calc R U P A 2
C61C C 0.372(2) 0.5673(6) 0.7737(19) 0.026(3) Uani 0.399(12) 1 d . U P A 2
O617 O 0.355(2) 0.5644(7) 0.6795(16) 0.041(5) Uani 0.399(12) 1 d . U P A 2
H617 H 0.290808 0.562510 0.670658 0.050 Uiso 0.399(12) 1 d R U P A 2
O618 O 0.3007(15) 0.5593(5) 0.8292(12) 0.028(4) Uani 0.399(12) 1 d . U P A 2
O1W O 0.7573(8) 0.3168(2) 1.0081(7) 0.053(2) Uani 1 1 d . U . . .
H11W H 0.777452 0.334895 0.985026 0.064 Uiso 1 1 d R U . . .
H12W H 0.742752 0.300594 0.974627 0.064 Uiso 1 1 d R U . . .
O2W O 0.6640(9) 0.2790(3) 0.8652(8) 0.074(3) Uani 1 1 d . U . . .
H21W H 0.617582 0.281811 0.826599 0.089 Uiso 1 1 d R U . . .
H22W H 0.707152 0.256811 0.845858 0.089 Uiso 1 1 d R U . . .
O3W O 0.8348(10) 0.2286(3) 0.8526(9) 0.084(4) Uani 1 1 d . U . . .
H31W H 0.801488 0.211267 0.898205 0.101 Uiso 1 1 d R U . . .
H32W H 0.896190 0.216367 0.824304 0.101 Uiso 1 1 d R U . . .
O4W O 0.7656(9) 0.1876(2) 0.9976(7) 0.060(3) Uani 1 1 d . U . . .
H41W H 0.747655 0.164812 0.984956 0.072 Uiso 1 1 d R U . . .
H42W H 0.769955 0.191711 1.055956 0.072 Uiso 1 1 d R U . . .
O5W O 0.7833(7) 0.2144(2) 1.1727(6) 0.0428(19) Uani 1 1 d . U . . .
H51W H 0.864810 0.210354 1.188808 0.051 Uiso 1 1 d R U . . .
H52W H 0.765810 0.238554 1.162208 0.051 Uiso 1 1 d R U . . .
O6W O 0.7303(7) 0.2861(2) 1.1765(6) 0.0433(19) Uani 1 1 d . U . . .
H61W H 0.649205 0.283562 1.182846 0.052 Uiso 1 1 d R U . . .
H62W H 0.742305 0.298562 1.122544 0.052 Uiso 1 1 d R U . . .
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'
Eu Eu -0.1578 3.6682 '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'
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
O511 Eu1A O411 77.5(2) . . ?
O511 Eu1A O311 139.3(2) . . ?
O411 Eu1A O311 141.52(19) . . ?
O511 Eu1A N10A 80.9(2) . . ?
O411 Eu1A N10A 127.8(2) . . ?
O311 Eu1A N10A 79.1(2) . . ?
O511 Eu1A N1A 130.8(2) . . ?
O411 Eu1A N1A 72.5(2) . . ?
O311 Eu1A N1A 72.5(2) . . ?
N10A Eu1A N1A 147.9(2) . . ?
O511 Eu1A N13A 67.2(2) . . ?
O411 Eu1A N13A 141.7(2) . . ?
O311 Eu1A N13A 72.1(2) . . ?
N10A Eu1A N13A 61.9(2) . . ?
N1A Eu1A N13A 120.4(2) . . ?
O511 Eu1A N4A 148.4(2) . . ?
O411 Eu1A N4A 83.3(2) . . ?
O311 Eu1A N4A 67.2(2) . . ?
N10A Eu1A N4A 91.6(2) . . ?
N1A Eu1A N4A 64.1(2) . . ?
N13A Eu1A N4A 135.0(2) . . ?
O511 Eu1A N7A 79.7(2) . . ?
O411 Eu1A N7A 64.2(2) . . ?
O311 Eu1A N7A 121.9(2) . . ?
N10A Eu1A N7A 65.5(2) . . ?
N1A Eu1A N7A 118.5(2) . . ?
N13A Eu1A N7A 120.7(2) . . ?
N4A Eu1A N7A 69.4(2) . . ?
O511 Eu1A N16A 77.4(2) . . ?
O411 Eu1A N16A 89.9(2) . . ?
O311 Eu1A N16A 89.4(2) . . ?
N10A Eu1A N16A 130.5(2) . . ?
N1A Eu1A N16A 64.6(2) . . ?
N13A Eu1A N16A 68.7(2) . . ?
N4A Eu1A N16A 127.9(2) . . ?
N7A Eu1A N16A 148.5(2) . . ?
O511 Eu1A C41A 65.2(2) . . ?
O411 Eu1A C41A 19.7(2) . . ?
O311 Eu1A C41A 155.4(2) . . ?
N10A Eu1A C41A 109.0(3) . . ?
N1A Eu1A C41A 91.9(2) . . ?
N13A Eu1A C41A 132.4(2) . . ?
N4A Eu1A C41A 89.0(2) . . ?
N7A Eu1A C41A 49.0(2) . . ?
N16A Eu1A C41A 101.2(3) . . ?
O511 Eu1A C51A 18.5(3) . . ?
O411 Eu1A C51A 96.0(2) . . ?
O311 Eu1A C51A 121.0(2) . . ?
N10A Eu1A C51A 70.1(2) . . ?
N1A Eu1A C51A 138.3(2) . . ?
N13A Eu1A C51A 49.1(3) . . ?
N4A Eu1A C51A 156.3(2) . . ?
N7A Eu1A C51A 88.9(2) . . ?
N16A Eu1A C51A 75.7(2) . . ?
C41A Eu1A C51A 83.3(2) . . ?
O511 Eu1A C31A 156.6(2) . . ?
O411 Eu1A C31A 125.9(2) . . ?
O311 Eu1A C31A 18.3(2) . . ?
N10A Eu1A C31A 83.7(2) . . ?
N1A Eu1A C31A 64.8(2) . . ?
N13A Eu1A C31A 89.9(2) . . ?
N4A Eu1A C31A 49.1(2) . . ?
N7A Eu1A C31A 109.7(2) . . ?
N16A Eu1A C31A 99.8(2) . . ?
C41A Eu1A C31A 137.3(2) . . ?
C51A Eu1A C31A 138.1(2) . . ?
C2A N1A C18A 118.7(6) . . ?
C2A N1A Eu1A 120.4(5) . . ?
C18A N1A Eu1A 120.7(5) . . ?
N1A C2A C19A 123.4(8) . . ?
N1A C2A C3A 114.6(7) . . ?
C19A C2A C3A 121.6(8) . . ?
N4A C3A C2A 109.1(7) . . ?
N4A C3A H31 109.9 . . ?
C2A C3A H31 109.9 . . ?
N4A C3A H32 109.9 . . ?
C2A C3A H32 109.9 . . ?
H31 C3A H32 108.3 . . ?
C30A N4A C5A 111.6(7) . . ?
C30A N4A C3A 109.6(7) . . ?
C5A N4A C3A 109.2(7) . . ?
C30A N4A Eu1A 111.0(5) . . ?
C5A N4A Eu1A 109.3(5) . . ?
C3A N4A Eu1A 106.0(5) . . ?
N4A C5A C6A 112.2(7) . . ?
N4A C5A H51 109.2 . . ?
C6A C5A H51 109.2 . . ?
N4A C5A H52 109.2 . . ?
C6A C5A H52 109.2 . . ?
H51 C5A H52 107.9 . . ?
N7A C6A C5A 112.9(8) . . ?
N7A C6A H61 109.0 . . ?
C5A C6A H61 109.0 . . ?
N7A C6A H62 109.0 . . ?
C5A C6A H62 109.0 . . ?
H61 C6A H62 107.8 . . ?
C8A N7A C40A 110.5(7) . . ?
C8A N7A C6A 110.9(7) . . ?
C40A N7A C6A 108.1(7) . . ?
C8A N7A Eu1A 114.3(6) . . ?
C40A N7A Eu1A 104.5(5) . . ?
C6A N7A Eu1A 108.2(5) . . ?
N7A C8A C9A 114.7(8) . . ?
N7A C8A H81 108.6 . . ?
C9A C8A H81 108.6 . . ?
N7A C8A H82 108.6 . . ?
C9A C8A H82 108.6 . . ?
H81 C8A H82 107.6 . . ?
N10A C9A C22A 121.6(9) . . ?
N10A C9A C8A 117.4(8) . . ?
C22A C9A C8A 120.6(9) . . ?
C11A N10A C9A 119.1(8) . . ?
C11A N10A Eu1A 118.4(6) . . ?
C9A N10A Eu1A 121.3(6) . . ?
N10A C11A C24A 122.0(9) . . ?
N10A C11A C12A 116.5(8) . . ?
C24A C11A C12A 121.4(9) . . ?
N13A C12A C11A 109.7(8) . . ?
N13A C12A H121 109.7 . . ?
C11A C12A H121 109.7 . . ?
N13A C12A H122 109.7 . . ?
C11A C12A H122 109.7 . . ?
H121 C12A H122 108.2 . . ?
C14A N13A C12A 109.4(7) . . ?
C14A N13A C50A 111.6(7) . . ?
C12A N13A C50A 108.1(7) . . ?
C14A N13A Eu1A 108.5(5) . . ?
C12A N13A Eu1A 108.9(5) . . ?
C50A N13A Eu1A 110.3(6) . . ?
N13A C14A C15A 111.6(8) . . ?
N13A C14A H141 109.3 . . ?
C15A C14A H141 109.3 . . ?
N13A C14A H142 109.3 . . ?
C15A C14A H142 109.3 . . ?
H141 C14A H142 108.0 . . ?
C14A C15A N16A 112.1(7) . . ?
C14A C15A H151 109.2 . . ?
N16A C15A H151 109.2 . . ?
C14A C15A H152 109.2 . . ?
N16A C15A H152 109.2 . . ?
H151 C15A H152 107.9 . . ?
C60A N16A C17A 111.6(7) . . ?
C60A N16A C15A 112.8(7) . . ?
C17A N16A C15A 109.2(7) . . ?
C60A N16A Eu1A 104.9(5) . . ?
C17A N16A Eu1A 108.8(5) . . ?
C15A N16A Eu1A 109.4(5) . . ?
N16A C17A C18A 111.8(8) . . ?
N16A C17A H171 109.3 . . ?
C18A C17A H171 109.3 . . ?
N16A C17A H172 109.3 . . ?
C18A C17A H172 109.3 . . ?
H171 C17A H172 107.9 . . ?
N1A C18A C21A 121.0(8) . . ?
N1A C18A C17A 117.5(7) . . ?
C21A C18A C17A 121.5(8) . . ?
C2A C19A C20A 118.3(8) . . ?
C2A C19A H191 120.8 . . ?
C20A C19A H191 120.8 . . ?
C19A C20A C21A 119.0(7) . . ?
C19A C20A H201 120.5 . . ?
C21A C20A H201 120.5 . . ?
C20A C21A C18A 118.9(8) . . ?
C20A C21A H211 120.5 . . ?
C18A C21A H211 120.5 . . ?
C23A C22A C9A 119.1(9) . . ?
C23A C22A H221 120.4 . . ?
C9A C22A H221 120.4 . . ?
C22A C23A C24A 119.7(9) . . ?
C22A C23A H231 120.2 . . ?
C24A C23A H231 120.2 . . ?
C11A C24A C23A 118.3(9) . . ?
C11A C24A H241 120.9 . . ?
C23A C24A H241 120.9 . . ?
N4A C30A C31A 115.1(7) . . ?
N4A C30A H301 108.5 . . ?
C31A C30A H301 108.5 . . ?
N4A C30A H302 108.5 . . ?
C31A C30A H302 108.5 . . ?
H301 C30A H302 107.5 . . ?
O313 C31A O311 124.4(12) . . ?
O311 C31A O312 119.9(10) . . ?
O313 C31A C30A 114.0(11) . . ?
O311 C31A C30A 119.0(8) . . ?
O312 C31A C30A 119.5(10) . . ?
O313 C31A Eu1A 149.3(12) . . ?
O311 C31A Eu1A 35.3(4) . . ?
O312 C31A Eu1A 155.1(9) . . ?
C30A C31A Eu1A 84.5(5) . . ?
C31A O311 Eu1A 126.4(6) . . ?
N7A C40A C41A 110.8(7) . . ?
N7A C40A H401 109.5 . . ?
C41A C40A H401 109.5 . . ?
N7A C40A H402 109.5 . . ?
C41A C40A H402 109.5 . . ?
H401 C40A H402 108.1 . . ?
O412 C41A O411 125.1(9) . . ?
O412 C41A C40A 116.9(8) . . ?
O411 C41A C40A 117.9(9) . . ?
O412 C41A Eu1A 152.9(7) . . ?
O411 C41A Eu1A 38.0(4) . . ?
C40A C41A Eu1A 83.5(6) . . ?
C41A O411 Eu1A 122.3(6) . . ?
N13A C50A C51A 113.7(8) . . ?
N13A C50A H501 108.8 . . ?
C51A C50A H501 108.8 . . ?
N13A C50A H502 108.8 . . ?
C51A C50A H502 108.8 . . ?
H501 C50A H502 107.7 . . ?
O512 C51A O511 122.3(10) . . ?
O512 C51A C50A 118.2(9) . . ?
O511 C51A C50A 119.5(8) . . ?
O512 C51A Eu1A 157.2(8) . . ?
O511 C51A Eu1A 35.3(4) . . ?
C50A C51A Eu1A 84.3(5) . . ?
C51A O511 Eu1A 126.2(6) . . ?
N16A C60A C61A 116.1(8) . . ?
N16A C60A H601 108.3 . . ?
C61A C60A H601 108.3 . . ?
N16A C60A H602 108.3 . . ?
C61A C60A H602 108.3 . . ?
H601 C60A H602 107.4 . . ?
O612 C61A O611 125.6(10) . . ?
O612 C61A C60A 124.3(9) . . ?
O611 C61A C60A 110.2(9) . . ?
C61A O611 H611 132.4 . . ?
O315 Eu1B O415 140.7(2) . . ?
O315 Eu1B O515 140.6(2) . . ?
O415 Eu1B O515 77.1(2) . . ?
O315 Eu1B N10B 79.3(3) . . ?
O415 Eu1B N10B 128.1(2) . . ?
O515 Eu1B N10B 81.4(2) . . ?
O315 Eu1B N1B 71.1(2) . . ?
O415 Eu1B N1B 73.3(2) . . ?
O515 Eu1B N1B 130.9(3) . . ?
N10B Eu1B N1B 147.2(3) . . ?
O315 Eu1B N13B 73.2(2) . . ?
O415 Eu1B N13B 141.3(2) . . ?
O515 Eu1B N13B 67.4(2) . . ?
N10B Eu1B N13B 62.1(2) . . ?
N1B Eu1B N13B 119.6(2) . . ?
O315 Eu1B N4B 66.8(2) . . ?
O415 Eu1B N4B 83.2(2) . . ?
O515 Eu1B N4B 147.9(2) . . ?
N10B Eu1B N4B 91.4(2) . . ?
N1B Eu1B N4B 64.4(2) . . ?
N13B Eu1B N4B 135.5(3) . . ?
O315 Eu1B N7B 121.0(3) . . ?
O415 Eu1B N7B 65.1(2) . . ?
O515 Eu1B N7B 79.8(2) . . ?
N10B Eu1B N7B 64.9(3) . . ?
N1B Eu1B N7B 119.7(2) . . ?
N13B Eu1B N7B 120.3(2) . . ?
N4B Eu1B N7B 68.9(2) . . ?
O315 Eu1B N16C 84.7(6) . . ?
O415 Eu1B N16C 94.5(5) . . ?
O515 Eu1B N16C 80.3(6) . . ?
N10B Eu1B N16C 127.5(6) . . ?
N1B Eu1B N16C 64.2(6) . . ?
N13B Eu1B N16C 65.4(6) . . ?
N4B Eu1B N16C 126.8(5) . . ?
N7B Eu1B N16C 154.3(5) . . ?
O315 Eu1B N16B 93.7(4) . . ?
O415 Eu1B N16B 85.1(3) . . ?
O515 Eu1B N16B 75.5(4) . . ?
N10B Eu1B N16B 133.5(4) . . ?
N1B Eu1B N16B 63.8(4) . . ?
N13B Eu1B N16B 71.8(4) . . ?
N4B Eu1B N16B 128.1(4) . . ?
N7B Eu1B N16B 144.9(3) . . ?
O315 Eu1B C41B 154.9(2) . . ?
O415 Eu1B C41B 20.0(2) . . ?
O515 Eu1B C41B 64.5(2) . . ?
N10B Eu1B C41B 109.1(3) . . ?
N1B Eu1B C41B 93.1(2) . . ?
N13B Eu1B C41B 131.9(2) . . ?
N4B Eu1B C41B 89.0(2) . . ?
N7B Eu1B C41B 49.8(3) . . ?
N16C Eu1B C41B 106.3(5) . . ?
N16B Eu1B C41B 96.5(3) . . ?
O315 Eu1B C31B 18.1(2) . . ?
O415 Eu1B C31B 124.5(2) . . ?
O515 Eu1B C31B 158.3(2) . . ?
N10B Eu1B C31B 85.6(2) . . ?
N1B Eu1B C31B 62.0(2) . . ?
N13B Eu1B C31B 91.1(2) . . ?
N4B Eu1B C31B 49.2(2) . . ?
N7B Eu1B C31B 110.2(2) . . ?
N16C Eu1B C31B 94.1(5) . . ?
N16B Eu1B C31B 101.8(4) . . ?
C41B Eu1B C31B 136.8(2) . . ?
C18B N1B C2B 119.8(7) . . ?
C18B N1B Eu1B 122.2(5) . . ?
C2B N1B Eu1B 118.0(6) . . ?
N1B C2B C19B 120.3(8) . . ?
N1B C2B C3B 117.2(8) . . ?
C19B C2B C3B 122.5(8) . . ?
N4B C3B C2B 111.3(8) . . ?
N4B C3B H35 109.4 . . ?
C2B C3B H35 109.4 . . ?
N4B C3B H36 109.4 . . ?
C2B C3B H36 109.4 . . ?
H35 C3B H36 108.0 . . ?
C3B N4B C5B 112.1(7) . . ?
C3B N4B C30B 107.9(7) . . ?
C5B N4B C30B 110.0(8) . . ?
C3B N4B Eu1B 106.9(5) . . ?
C5B N4B Eu1B 109.0(5) . . ?
C30B N4B Eu1B 111.0(5) . . ?
N4B C5B C6B 111.5(8) . . ?
N4B C5B H55 109.3 . . ?
C6B C5B H55 109.3 . . ?
N4B C5B H56 109.3 . . ?
C6B C5B H56 109.3 . . ?
H55 C5B H56 108.0 . . ?
N7B C6B C5B 112.4(7) . . ?
N7B C6B H65 109.1 . . ?
C5B C6B H65 109.1 . . ?
N7B C6B H66 109.1 . . ?
C5B C6B H66 109.1 . . ?
H65 C6B H66 107.9 . . ?
C6B N7B C8B 111.2(7) . . ?
C6B N7B C40B 107.2(7) . . ?
C8B N7B C40B 112.0(7) . . ?
C6B N7B Eu1B 108.4(5) . . ?
C8B N7B Eu1B 114.3(6) . . ?
C40B N7B Eu1B 103.2(5) . . ?
N7B C8B C9B 115.7(8) . . ?
N7B C8B H85 108.4 . . ?
C9B C8B H85 108.4 . . ?
N7B C8B H86 108.4 . . ?
C9B C8B H86 108.4 . . ?
H85 C8B H86 107.4 . . ?
N10B C9B C22B 124.2(10) . . ?
N10B C9B C8B 115.2(9) . . ?
C22B C9B C8B 120.1(9) . . ?
C9B N10B C11B 117.2(8) . . ?
C9B N10B Eu1B 123.6(6) . . ?
C11B N10B Eu1B 118.3(6) . . ?
N10B C11B C24B 121.8(9) . . ?
N10B C11B C12B 116.7(8) . . ?
C24B C11B C12B 121.5(9) . . ?
C11B C12B N13B 109.3(8) . . ?
C11B C12B H125 109.8 . . ?
N13B C12B H125 109.8 . . ?
C11B C12B H126 109.8 . . ?
N13B C12B H126 109.8 . . ?
H125 C12B H126 108.3 . . ?
C14B N13B C50B 110.9(7) . . ?
C14B N13B C12B 110.4(8) . . ?
C50B N13B C12B 110.1(7) . . ?
C14B N13B Eu1B 107.5(6) . . ?
C50B N13B Eu1B 109.9(6) . . ?
C12B N13B Eu1B 108.1(5) . . ?
N13B C14B C15B 111.5(8) . . ?
N13B C14B H145 109.3 . . ?
C15B C14B H145 109.3 . . ?
N13B C14B H146 109.3 . . ?
C15B C14B H146 109.3 . . ?
H145 C14B H146 108.0 . . ?
N16C C15B C14B 102.9(13) . . ?
C14B C15B N16B 116.1(10) . . ?
C14B C15B H155 108.3 . . ?
N16B C15B H155 108.3 . . ?
C14B C15B H156 108.3 . . ?
N16B C15B H156 108.3 . . ?
H155 C15B H156 107.4 . . ?
C60B N16B C17B 118.2(13) . . ?
C60B N16B C15B 118.6(13) . . ?
C17B N16B C15B 101.3(10) . . ?
C60B N16B Eu1B 106.0(10) . . ?
C17B N16B Eu1B 106.3(9) . . ?
C15B N16B Eu1B 105.2(8) . . ?
C15B N16C C17B 123.1(18) . . ?
C15B N16C C60C 102(2) . . ?
C17B N16C C60C 96.1(19) . . ?
C15B N16C Eu1B 113.9(15) . . ?
C17B N16C Eu1B 113.5(14) . . ?
C60C N16C Eu1B 103.7(15) . . ?
N16C C17B C18B 118.1(13) . . ?
C18B C17B N16B 110.0(9) . . ?
C18B C17B H175 109.7 . . ?
N16B C17B H175 109.7 . . ?
C18B C17B H176 109.7 . . ?
N16B C17B H176 109.7 . . ?
H175 C17B H176 108.2 . . ?
N1B C18B C21B 122.4(8) . . ?
N1B C18B C17B 115.9(8) . . ?
C21B C18B C17B 121.2(8) . . ?
C20B C19B C2B 119.1(8) . . ?
C20B C19B H195 120.5 . . ?
C2B C19B H195 120.5 . . ?
C21B C20B C19B 119.7(8) . . ?
C21B C20B H205 120.2 . . ?
C19B C20B H205 120.2 . . ?
C20B C21B C18B 118.6(8) . . ?
C20B C21B H215 120.7 . . ?
C18B C21B H215 120.7 . . ?
C23B C22B C9B 118.0(9) . . ?
C23B C22B H225 121.0 . . ?
C9B C22B H225 121.0 . . ?
C22B C23B C24B 119.2(9) . . ?
C22B C23B H235 120.4 . . ?
C24B C23B H235 120.4 . . ?
C23B C24B C11B 119.5(10) . . ?
C23B C24B H245 120.3 . . ?
C11B C24B H245 120.3 . . ?
N4B C30B C31B 112.9(8) . . ?
N4B C30B H305 109.0 . . ?
C31B C30B H305 109.0 . . ?
N4B C30B H306 109.0 . . ?
C31B C30B H306 109.0 . . ?
H305 C30B H306 107.8 . . ?
O316 C31B O315 124.3(9) . . ?
O316 C31B C30B 117.8(8) . . ?
O315 C31B C30B 117.8(8) . . ?
O316 C31B Eu1B 154.4(7) . . ?
O315 C31B Eu1B 35.2(5) . . ?
C30B C31B Eu1B 85.5(5) . . ?
C31B O315 Eu1B 126.7(6) . . ?
N7B C40B C41B 114.3(8) . . ?
N7B C40B H405 108.7 . . ?
C41B C40B H405 108.7 . . ?
N7B C40B H406 108.7 . . ?
C41B C40B H406 108.7 . . ?
H405 C40B H406 107.6 . . ?
O416 C41B O415 124.6(10) . . ?
O416 C41B C40B 120.4(10) . . ?
O415 C41B C40B 115.0(9) . . ?
O416 C41B Eu1B 154.2(8) . . ?
O415 C41B Eu1B 38.0(4) . . ?
C40B C41B Eu1B 80.7(5) . . ?
C41B O415 Eu1B 122.1(6) . . ?
N13B C50B C51B 115.6(8) . . ?
N13B C50B H505 108.4 . . ?
C51B C50B H505 108.4 . . ?
N13B C50B H506 108.4 . . ?
C51B C50B H506 108.4 . . ?
H505 C50B H506 107.4 . . ?
O516 C51B O515 126.6(10) . . ?
O516 C51B C50B 117.4(9) . . ?
O515 C51B C50B 115.7(9) . . ?
C51B O515 Eu1B 128.3(7) . . ?
N16B C60B C61B 118.9(15) . . ?
N16B C60B H605 107.6 . . ?
C61B C60B H605 107.6 . . ?
N16B C60B H606 107.6 . . ?
C61B C60B H606 107.6 . . ?
H605 C60B H606 107.0 . . ?
O616 C61B O615 123.1(17) . . ?
O616 C61B C60B 120.3(15) . . ?
O615 C61B C60B 116.2(14) . . ?
C61B O615 H615 124.6 . . ?
N16C C60C C61C 117(2) . . ?
N16C C60C H607 108.1 . . ?
C61C C60C H607 108.1 . . ?
N16C C60C H608 108.1 . . ?
C61C C60C H608 108.1 . . ?
H607 C60C H608 107.3 . . ?
O618 C61C O617 124(2) . . ?
O618 C61C C60C 127(2) . . ?
O617 C61C C60C 109(2) . . ?
C61C O617 H617 108.2 . . ?
H11W O1W H12W 117.3 . . ?
H21W O2W H22W 103.5 . . ?
H31W O3W H32W 104.6 . . ?
H41W O4W H42W 112.5 . . ?
H51W O5W H52W 113.2 . . ?
H61W O6W H62W 107.0 . . ?
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
Eu1A O511 2.327(6) . ?
Eu1A O411 2.331(7) . ?
Eu1A O311 2.340(7) . ?
Eu1A N10A 2.553(7) . ?
Eu1A N1A 2.569(6) . ?
Eu1A N13A 2.631(8) . ?
Eu1A N4A 2.641(7) . ?
Eu1A N7A 2.688(7) . ?
Eu1A N16A 2.689(7) . ?
Eu1A C41A 3.198(10) . ?
Eu1A C51A 3.250(9) . ?
Eu1A C31A 3.257(9) . ?
N1A C2A 1.331(10) . ?
N1A C18A 1.342(11) . ?
C2A C19A 1.372(11) . ?
C2A C3A 1.535(12) . ?
C3A N4A 1.500(11) . ?
C3A H31 0.9900 . ?
C3A H32 0.9900 . ?
N4A C30A 1.473(12) . ?
N4A C5A 1.494(11) . ?
C5A C6A 1.520(13) . ?
C5A H51 0.9900 . ?
C5A H52 0.9900 . ?
C6A N7A 1.490(11) . ?
C6A H61 0.9900 . ?
C6A H62 0.9900 . ?
N7A C8A 1.471(11) . ?
N7A C40A 1.490(12) . ?
C8A C9A 1.512(13) . ?
C8A H81 0.9900 . ?
C8A H82 0.9900 . ?
C9A N10A 1.359(11) . ?
C9A C22A 1.387(13) . ?
N10A C11A 1.354(13) . ?
C11A C24A 1.383(12) . ?
C11A C12A 1.510(13) . ?
C12A N13A 1.478(12) . ?
C12A H121 0.9900 . ?
C12A H122 0.9900 . ?
N13A C14A 1.477(11) . ?
N13A C50A 1.489(11) . ?
C14A C15A 1.507(13) . ?
C14A H141 0.9900 . ?
C14A H142 0.9900 . ?
C15A N16A 1.515(12) . ?
C15A H151 0.9900 . ?
C15A H152 0.9900 . ?
N16A C60A 1.477(13) . ?
N16A C17A 1.490(10) . ?
C17A C18A 1.513(12) . ?
C17A H171 0.9900 . ?
C17A H172 0.9900 . ?
C18A C21A 1.397(12) . ?
C19A C20A 1.384(13) . ?
C19A H191 0.9500 . ?
C20A C21A 1.387(13) . ?
C20A H201 0.9500 . ?
C21A H211 0.9500 . ?
C22A C23A 1.378(15) . ?
C22A H221 0.9500 . ?
C23A C24A 1.408(14) . ?
C23A H231 0.9500 . ?
C24A H241 0.9500 . ?
C30A C31A 1.507(13) . ?
C30A H301 0.9900 . ?
C30A H302 0.9900 . ?
C31A O313 1.23(2) . ?
C31A O311 1.269(11) . ?
C31A O312 1.297(17) . ?
C40A C41A 1.528(13) . ?
C40A H401 0.9900 . ?
C40A H402 0.9900 . ?
C41A O412 1.238(12) . ?
C41A O411 1.274(11) . ?
C50A C51A 1.507(14) . ?
C50A H501 0.9900 . ?
C50A H502 0.9900 . ?
C51A O512 1.256(11) . ?
C51A O511 1.278(11) . ?
C60A C61A 1.532(13) . ?
C60A H601 0.9900 . ?
C60A H602 0.9900 . ?
C61A O612 1.227(13) . ?
C61A O611 1.286(14) . ?
O611 H611 0.9128 . ?
Eu1B O315 2.336(7) . ?
Eu1B O415 2.339(7) . ?
Eu1B O515 2.353(7) . ?
Eu1B N10B 2.563(8) . ?
Eu1B N1B 2.581(6) . ?
Eu1B N13B 2.603(8) . ?
Eu1B N4B 2.642(7) . ?
Eu1B N7B 2.654(7) . ?
Eu1B N16C 2.68(3) . ?
Eu1B N16B 2.698(16) . ?
Eu1B C41B 3.222(10) . ?
Eu1B C31B 3.251(10) . ?
N1B C18B 1.336(11) . ?
N1B C2B 1.348(11) . ?
C2B C19B 1.405(12) . ?
C2B C3B 1.493(13) . ?
C3B N4B 1.475(12) . ?
C3B H35 0.9900 . ?
C3B H36 0.9900 . ?
N4B C5B 1.481(11) . ?
N4B C30B 1.505(12) . ?
C5B C6B 1.493(14) . ?
C5B H55 0.9900 . ?
C5B H56 0.9900 . ?
C6B N7B 1.489(11) . ?
C6B H65 0.9900 . ?
C6B H66 0.9900 . ?
N7B C8B 1.495(12) . ?
N7B C40B 1.495(12) . ?
C8B C9B 1.505(14) . ?
C8B H85 0.9900 . ?
C8B H86 0.9900 . ?
C9B N10B 1.332(12) . ?
C9B C22B 1.381(13) . ?
N10B C11B 1.346(13) . ?
C11B C24B 1.389(14) . ?
C11B C12B 1.490(13) . ?
C12B N13B 1.510(13) . ?
C12B H125 0.9900 . ?
C12B H126 0.9900 . ?
N13B C14B 1.484(12) . ?
N13B C50B 1.505(12) . ?
C14B C15B 1.529(16) . ?
C14B H145 0.9900 . ?
C14B H146 0.9900 . ?
C15B N16C 1.36(3) . ?
C15B N16B 1.566(18) . ?
C15B H155 0.9900 . ?
C15B H156 0.9900 . ?
N16B C60B 1.46(2) . ?
N16B C17B 1.563(18) . ?
N16C C17B 1.40(3) . ?
N16C C60C 1.49(3) . ?
C17B C18B 1.505(13) . ?
C17B H175 0.9900 . ?
C17B H176 0.9900 . ?
C18B C21B 1.388(12) . ?
C19B C20B 1.389(14) . ?
C19B H195 0.9500 . ?
C20B C21B 1.367(13) . ?
C20B H205 0.9500 . ?
C21B H215 0.9500 . ?
C22B C23B 1.369(15) . ?
C22B H225 0.9500 . ?
C23B C24B 1.372(14) . ?
C23B H235 0.9500 . ?
C24B H245 0.9500 . ?
C30B C31B 1.512(12) . ?
C30B H305 0.9900 . ?
C30B H306 0.9900 . ?
C31B O316 1.240(12) . ?
C31B O315 1.260(12) . ?
C40B C41B 1.512(14) . ?
C40B H405 0.9900 . ?
C40B H406 0.9900 . ?
C41B O416 1.213(13) . ?
C41B O415 1.298(12) . ?
C50B C51B 1.533(14) . ?
C50B H505 0.9900 . ?
C50B H506 0.9900 . ?
C51B O516 1.232(13) . ?
C51B O515 1.264(12) . ?
C60B C61B 1.50(2) . ?
C60B H605 0.9900 . ?
C60B H606 0.9900 . ?
C61B O616 1.22(2) . ?
C61B O615 1.310(19) . ?
O615 H615 0.8360 . ?
C60C C61C 1.54(4) . ?
C60C H607 0.9900 . ?
C60C H608 0.9900 . ?
C61C O618 1.18(3) . ?
C61C O617 1.37(3) . ?
O617 H617 0.7240 . ?
O1W H11W 0.7889 . ?
O1W H12W 0.7909 . ?
O2W H21W 0.7630 . ?
O2W H22W 1.0020 . ?
O3W H31W 0.9982 . ?
O3W H32W 0.9217 . ?
O4W H41W 0.8941 . ?
O4W H42W 0.8566 . ?
O5W H51W 0.9473 . ?
O5W H52W 0.9357 . ?
O6W H61W 0.9140 . ?
O6W H62W 0.9177 . ?
