#------------------------------------------------------------------------------
#$Date: 2023-05-05 03:57:32 +0300 (Fri, 05 May 2023) $
#$Revision: 283154 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/82/1568206.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_1568206
loop_
_publ_author_name
'Alexander, Carlson'
'Thom, James A.'
'Kenwright, Alan M.'
'Christensen, Kirsten E.'
'Sørensen, Thomas Just'
'Faulkner, Stephen'
_publ_section_title
;
 Chelating chloride using binuclear lanthanide complexes in water.
;
_journal_issue                   5
_journal_name_full               'Chemical science'
_journal_page_first              1194
_journal_page_last               1204
_journal_paper_doi               10.1039/d2sc05417e
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C186 H324 Eu12 N48 O84'
_chemical_formula_sum            'C186 H324 Eu12 N48 O84'
_chemical_formula_weight         6400.45
_chemical_melting_point          ?
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_creation_date             2022-03-24
_audit_creation_method           'CRYSTALS_ver_14.61_build_7932 '
_audit_update_record
;
2022-08-17 deposited with the CCDC.	2022-12-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.3460(16)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   28.5577(5)
_cell_length_b                   15.9841(2)
_cell_length_c                   39.9615(6)
_cell_measurement_reflns_used    20093
_cell_measurement_temperature    150
_cell_measurement_theta_max      76.04
_cell_measurement_theta_min      3.15
_cell_volume                     17748.6(5)
_computing_cell_refinement
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'focussing mirrors'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.068
_diffrn_reflns_av_sigmaI/netI    0.1228
_diffrn_reflns_av_unetI/netI     0.122
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            105177
_diffrn_reflns_theta_full        73.396
_diffrn_reflns_theta_max         76.454
_diffrn_reflns_theta_min         3.181
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.446
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.02
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 CrysAlisPro (Rigaku Oxford Diffraction, 2017) 
;
_exptl_crystal_colour            clear_pale_colourless
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             6408
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         5.22
_refine_diff_density_min         -1.07
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1486
_refine_ls_number_reflns         36617
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.1126
_refine_ls_shift/su_max          0.0019067
_refine_ls_shift/su_mean         0.0000212
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.20P)² + 0.00P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.3036
_refine_ls_wR_factor_gt          0.2713
_refine_ls_wR_factor_ref         0.3036
_reflns_limit_h_max              34
_reflns_limit_h_min              -35
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              50
_reflns_limit_l_min              0
_reflns_number_gt                25065
_reflns_number_total             36621
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   5.06
_oxford_diffrn_Wilson_scale      3.94
_oxford_refine_ls_scale          0.6405(16)
_oxford_structure_analysis_title 7548
_cod_data_source_file            d2sc05417e2.cif
_cod_data_source_block           Eu_2-DO3A_2-C-3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1568201--1568207.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               1568206
_oxford_refine_reflns_threshold_expression I>-10.0\s(I)
_refine_ls_r_factor_ref          0.1305
_reflns_number_all               36617
_platon_squeeze_void_probe_radius 1.20
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,-y+1/2,z+1/2
-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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Eu1 Eu 1.11230(2) 0.38928(4) 0.293656(15) 0.0614 1.0000 Uani . . . . . .
N2 N 1.1901(3) 0.3898(6) 0.2684(2) 0.0642 1.0000 Uani . . . . . .
C3 C 1.1997(4) 0.3061(8) 0.2562(3) 0.0743 1.0000 Uani . . . . . .
C4 C 1.1953(4) 0.2383(8) 0.2821(3) 0.0769 1.0000 Uani . . . . . .
N5 N 1.1469(4) 0.2348(6) 0.2883(3) 0.0744 1.0000 Uani . . . . . .
C6 C 1.1145(6) 0.1882(9) 0.2592(4) 0.0856 1.0000 Uani . . . . . .
C7 C 1.0617(4) 0.2052(7) 0.2551(3) 0.0745 1.0000 Uani . . . . . .
N8 N 1.0497(3) 0.2953(6) 0.2485(3) 0.0718 1.0000 Uani . . . . . .
C9 C 1.0520(5) 0.3168(9) 0.2134(3) 0.0784 1.0000 Uani . . . . . .
C10 C 1.0524(5) 0.4098(8) 0.2074(3) 0.0776 1.0000 Uani . . . . . .
N11 N 1.0963(4) 0.4516(7) 0.2293(3) 0.0752 1.0000 Uani . . . . . .
C12 C 1.1377(5) 0.4421(9) 0.2134(3) 0.0799 1.0000 Uani . . . . . .
C13 C 1.1840(5) 0.4505(8) 0.2390(3) 0.0776 1.0000 Uani . . . . . .
C14 C 1.2303(5) 0.4182(8) 0.2951(3) 0.0750 1.0000 Uani . . . . . .
C15 C 1.2268(4) 0.3953(7) 0.3320(3) 0.0681 1.0000 Uani . . . . . .
O16 O 1.2642(3) 0.4017(6) 0.3551(2) 0.0772 1.0000 Uani . . . . . .
O17 O 1.1864(3) 0.3727(5) 0.3367(2) 0.0719 1.0000 Uani . . . . . .
C18 C 1.1476(4) 0.1915(8) 0.3208(4) 0.0764 1.0000 Uani . . . . . .
C19 C 1.1034(4) 0.2124(7) 0.3346(3) 0.0721 1.0000 Uani . . . . . .
O20 O 1.0892(4) 0.1594(6) 0.3531(3) 0.0845 1.0000 Uani . . . . . .
O21 O 1.0846(3) 0.2816(5) 0.3268(2) 0.0715 1.0000 Uani . . . . . .
C22 C 1.0838(5) 0.5406(8) 0.2321(3) 0.0769 1.0000 Uani . . . . . .
C23 C 1.0500(4) 0.5517(7) 0.2559(3) 0.0733 1.0000 Uani . . . . . .
O24 O 1.0247(4) 0.6155(6) 0.2523(3) 0.0871 1.0000 Uani . . . . . .
O25 O 1.0491(3) 0.4954(5) 0.2775(2) 0.0744 1.0000 Uani . . . . . .
O26 O 1.0912(3) 0.4402(5) 0.3451(2) 0.0730 1.0000 Uani . . . . . .
C27 C 1.0023(4) 0.3157(7) 0.2559(3) 0.0700 1.0000 Uani . . . . . .
C28 C 0.9584(5) 0.2753(8) 0.2317(3) 0.0782 1.0000 Uani . . . . . .
C29 C 0.9127(4) 0.2956(7) 0.2437(3) 0.0683 1.0000 Uani . . . . . .
Eu31 Eu 0.79296(2) 0.31620(4) 0.251457(15) 0.0622 1.0000 Uani . . . . . .
N32 N 0.8664(3) 0.2730(6) 0.2200(2) 0.0674 1.0000 Uani . . . . . .
C33 C 0.8638(4) 0.1821(7) 0.2116(3) 0.0701 1.0000 Uani . . . . . .
C34 C 0.8535(4) 0.1322(7) 0.2415(3) 0.0691 1.0000 Uani . . . . . .
N35 N 0.8063(3) 0.1514(5) 0.2491(2) 0.0656 1.0000 Uani . . . . . .
C36 C 0.7677(4) 0.1071(7) 0.2243(3) 0.0657 1.0000 Uani . . . . . .
C37 C 0.7188(4) 0.1471(8) 0.2229(4) 0.0784 1.0000 Uani . . . . . .
N38 N 0.7178(3) 0.2380(6) 0.2129(2) 0.0699 1.0000 Uani . . . . . .
C39 C 0.7168(5) 0.2438(9) 0.1759(3) 0.0806 1.0000 Uani . . . . . .
C40 C 0.7275(5) 0.3321(9) 0.1663(3) 0.0859 1.0000 Uani . . . . . .
N41 N 0.7773(4) 0.3583(6) 0.1839(3) 0.0732 1.0000 Uani . . . . . .
C42 C 0.8112(5) 0.3225(9) 0.1660(3) 0.0829 1.0000 Uani . . . . . .
C43 C 0.8633(4) 0.3197(7) 0.1875(3) 0.0713 1.0000 Uani . . . . . .
C44 C 0.8085(4) 0.1224(7) 0.2839(3) 0.0698 1.0000 Uani . . . . . .
C45 C 0.8392(4) 0.1797(7) 0.3104(3) 0.0699 1.0000 Uani . . . . . .
O46 O 0.8537(3) 0.1510(5) 0.3398(2) 0.0698 1.0000 Uani . . . . . .
O47 O 0.8483(3) 0.2519(5) 0.30077(19) 0.0695 1.0000 Uani . . . . . .
C48 C 0.6745(4) 0.2776(8) 0.2195(3) 0.0714 1.0000 Uani . . . . . .
C49 C 0.6795(4) 0.3701(8) 0.2283(3) 0.0734 1.0000 Uani . . . . . .
O50 O 0.6432(3) 0.4116(6) 0.2273(3) 0.0834 1.0000 Uani . . . . . .
O51 O 0.7225(3) 0.3985(5) 0.2372(2) 0.0745 1.0000 Uani . . . . . .
C52 C 0.7813(6) 0.4491(9) 0.1855(4) 0.0909 1.0000 Uani . . . . . .
C53 C 0.8239(5) 0.4782(8) 0.2137(4) 0.0827 1.0000 Uani . . . . . .
O54 O 0.8465(4) 0.5422(6) 0.2089(3) 0.0984 1.0000 Uani . . . . . .
O55 O 0.8320(3) 0.4389(5) 0.2415(2) 0.0783 1.0000 Uani . . . . . .
O56 O 0.8008(3) 0.4131(5) 0.3018(2) 0.0806 1.0000 Uani . . . . . .
Eu61 Eu 0.91386(2) 0.16675(4) 0.393445(15) 0.0632 1.0000 Uani . . . . . .
N62 N 0.9300(4) 0.0246(6) 0.3629(3) 0.0728 1.0000 Uani . . . . . .
C63 C 0.9732(5) -0.0172(7) 0.3840(3) 0.0731 1.0000 Uani . . . . . .
C64 C 1.0151(4) 0.0441(8) 0.3950(3) 0.0771 1.0000 Uani . . . . . .
N65 N 1.0030(4) 0.1086(7) 0.4188(3) 0.0778 1.0000 Uani . . . . . .
C66 C 1.0098(4) 0.0715(9) 0.4539(3) 0.0775 1.0000 Uani . . . . . .
C67 C 0.9829(4) 0.1159(9) 0.4771(3) 0.0769 1.0000 Uani . . . . . .
N68 N 0.9309(4) 0.1210(6) 0.4624(2) 0.0714 1.0000 Uani . . . . . .
C69 C 0.9097(4) 0.0379(7) 0.4636(3) 0.0694 1.0000 Uani . . . . . .
C70 C 0.8587(4) 0.0333(7) 0.4429(3) 0.0694 1.0000 Uani . . . . . .
N71 N 0.8570(3) 0.0428(5) 0.4056(2) 0.0674 1.0000 Uani . . . . . .
C72 C 0.8686(5) -0.0380(7) 0.3917(3) 0.0746 1.0000 Uani . . . . . .
C73 C 0.8861(5) -0.0311(7) 0.3591(3) 0.0729 1.0000 Uani . . . . . .
C74 C 0.9381(5) 0.0444(8) 0.3284(3) 0.0769 1.0000 Uani . . . . . .
C75 C 0.9573(4) 0.1304(8) 0.3246(3) 0.0737 1.0000 Uani . . . . . .
O76 O 0.9725(4) 0.1475(6) 0.2993(3) 0.0846 1.0000 Uani . . . . . .
O77 O 0.9575(3) 0.1821(5) 0.3501(2) 0.0754 1.0000 Uani . . . . . .
C78 C 1.0340(4) 0.1830(9) 0.4207(3) 0.0818 1.0000 Uani . . . . . .
C79 C 1.0128(7) 0.2608(10) 0.4312(5) 0.0979 1.0000 Uani . . . . . .
O80 O 1.0382(6) 0.3198(10) 0.4445(5) 0.1312 1.0000 Uani . . . . . .
O81 O 0.9664(4) 0.2651(6) 0.4256(3) 0.0841 1.0000 Uani . . . . . .
C82 C 0.8080(4) 0.0725(7) 0.3884(3) 0.0703 1.0000 Uani . . . . . .
C83 C 0.8026(4) 0.1650(7) 0.3953(3) 0.0687 1.0000 Uani . . . . . .
O84 O 0.7598(3) 0.1941(5) 0.3874(2) 0.0715 1.0000 Uani . . . . . .
O85 O 0.8400(3) 0.2070(5) 0.4074(2) 0.0715 1.0000 Uani . . . . . .
C86 C 0.9085(4) 0.1845(7) 0.4824(3) 0.0718 1.0000 Uani . . . . . .
N86 N 0.6526(4) 0.4025(6) 0.4197(2) 0.0724 1.0000 Uani . . . . . .
C87 C 0.9132(6) 0.1619(9) 0.5198(3) 0.0858 1.0000 Uani . . . . . .
C88 C 0.8874(4) 0.2250(8) 0.5379(3) 0.0729 1.0000 Uani . . . . . .
Eu91 Eu 0.71780(2) 0.32800(4) 0.390629(15) 0.0631 1.0000 Uani . . . . . .
N92 N 0.6641(3) 0.2267(6) 0.3442(3) 0.0705 1.0000 Uani . . . . . .
C93 C 0.6516(5) 0.1505(8) 0.3618(3) 0.0759 1.0000 Uani . . . . . .
C94 C 0.6330(5) 0.1695(8) 0.3932(3) 0.0754 1.0000 Uani . . . . . .
N95 N 0.6676(4) 0.2187(6) 0.4187(3) 0.0725 1.0000 Uani . . . . . .
C96 C 0.6422(5) 0.2620(9) 0.4419(3) 0.0776 1.0000 Uani . . . . . .
C97 C 0.6176(5) 0.3423(9) 0.4265(4) 0.0819 1.0000 Uani . . . . . .
C98 C 0.6260(4) 0.4700(8) 0.3962(3) 0.0772 1.0000 Uani . . . . . .
C99 C 0.6102(5) 0.4382(8) 0.3596(3) 0.0780 1.0000 Uani . . . . . .
N100 N 0.6493(3) 0.4100(7) 0.3437(3) 0.0733 1.0000 Uani . . . . . .
C101 C 0.6285(5) 0.3551(9) 0.3144(3) 0.0810 1.0000 Uani . . . . . .
C102 C 0.6194(4) 0.2684(8) 0.3254(3) 0.0767 1.0000 Uani . . . . . .
O103 O 0.8923(3) 0.3076(6) 0.3683(2) 0.0814 1.0000 Uani . . . . . .
C104 C 0.6932(5) 0.2064(7) 0.3202(3) 0.0740 1.0000 Uani . . . . . .
C105 C 0.7277(4) 0.2718(7) 0.3141(3) 0.0662 1.0000 Uani . . . . . .
O106 O 0.7433(3) 0.2645(5) 0.2875(2) 0.0733 1.0000 Uani . . . . . .
O107 O 0.7392(3) 0.3297(5) 0.3358(2) 0.0727 1.0000 Uani . . . . . .
C108 C 0.7033(5) 0.1632(8) 0.4400(4) 0.0804 1.0000 Uani . . . . . .
C109 C 0.7493(4) 0.2126(8) 0.4582(3) 0.0757 1.0000 Uani . . . . . .
O110 O 0.7803(3) 0.1758(5) 0.4798(2) 0.0790 1.0000 Uani . . . . . .
O111 O 0.7517(3) 0.2889(5) 0.4483(2) 0.0750 1.0000 Uani . . . . . .
C112 C 0.6726(5) 0.4822(8) 0.3335(3) 0.0814 1.0000 Uani . . . . . .
C113 C 0.7106(5) 0.5200(8) 0.3627(3) 0.0817 1.0000 Uani . . . . . .
O114 O 0.7204(5) 0.5946(6) 0.3598(3) 0.1038 1.0000 Uani . . . . . .
O115 O 0.7295(3) 0.4732(5) 0.3868(2) 0.0753 1.0000 Uani . . . . . .
C179 C 0.6789(5) 0.4449(8) 0.4522(3) 0.0777 1.0000 Uani . . . . . .
O117 O 0.8038(3) 0.3648(5) 0.4053(2) 0.0768 1.0000 Uani . . . . . .
Eu121 Eu 0.84382(2) 0.33045(4) 0.600648(15) 0.0628 1.0000 Uani . . . . . .
N122 N 0.8895(4) 0.2039(6) 0.5751(2) 0.0717 1.0000 Uani . . . . . .
C123 C 0.9404(4) 0.1979(7) 0.5944(3) 0.0690 1.0000 Uani . . . . . .
C124 C 0.9454(5) 0.2008(8) 0.6329(3) 0.0744 1.0000 Uani . . . . . .
N125 N 0.9264(3) 0.2796(6) 0.6447(2) 0.0702 1.0000 Uani . . . . . .
C126 C 0.9166(5) 0.2632(8) 0.6794(3) 0.0792 1.0000 Uani . . . . . .
C127 C 0.8712(5) 0.2179(6) 0.6774(3) 0.0698 1.0000 Uani . . . . . .
N128 N 0.8284(4) 0.2649(6) 0.6591(2) 0.0680 1.0000 Uani . . . . . .
C129 C 0.7859(5) 0.2090(8) 0.6515(3) 0.0744 1.0000 Uani . . . . . .
C130 C 0.7873(4) 0.1483(7) 0.6225(3) 0.0694 1.0000 Uani . . . . . .
N131 N 0.7914(4) 0.1918(6) 0.5903(2) 0.0687 1.0000 Uani . . . . . .
C132 C 0.8108(4) 0.1337(7) 0.5677(3) 0.0723 1.0000 Uani . . . . . .
C133 C 0.8650(4) 0.1258(7) 0.5786(3) 0.0691 1.0000 Uani . . . . . .
C134 C 0.9621(5) 0.3476(9) 0.6455(4) 0.0809 1.0000 Uani . . . . . .
C135 C 0.9582(5) 0.3873(8) 0.6109(4) 0.0843 1.0000 Uani . . . . . .
O136 O 0.9944(4) 0.4140(8) 0.6036(3) 0.1015 1.0000 Uani . . . . . .
O137 O 0.9161(3) 0.3868(5) 0.5901(2) 0.0801 1.0000 Uani . . . . . .
C138 C 0.8201(4) 0.3352(7) 0.6814(3) 0.0684 1.0000 Uani . . . . . .
C139 C 0.8456(4) 0.4142(7) 0.6756(3) 0.0677 1.0000 Uani . . . . . .
O140 O 0.8492(3) 0.4719(5) 0.6976(2) 0.0704 1.0000 Uani . . . . . .
O141 O 0.8622(3) 0.4205(5) 0.6491(2) 0.0727 1.0000 Uani . . . . . .
C142 C 0.7436(5) 0.2191(7) 0.5715(3) 0.0767 1.0000 Uani . . . . . .
C143 C 0.7461(5) 0.2862(8) 0.5445(3) 0.0779 1.0000 Uani . . . . . .
O144 O 0.7088(4) 0.3074(6) 0.5239(3) 0.0866 1.0000 Uani . . . . . .
O145 O 0.7877(3) 0.3181(5) 0.5459(2) 0.0781 1.0000 Uani . . . . . .
O146 O 0.8308(3) 0.4689(5) 0.5738(3) 0.0813 1.0000 Uani . . . . . .
Eu151 Eu 0.69708(2) 0.62999(4) 0.585860(17) 0.0693 1.0000 Uani . . . . . .
N152 N 0.6532(4) 0.4878(6) 0.5959(3) 0.0773 1.0000 Uani . . . . . .
C153 C 0.6143(5) 0.5001(8) 0.6141(4) 0.0818 1.0000 Uani . . . . . .
C154 C 0.6253(5) 0.5699(9) 0.6402(4) 0.0844 1.0000 Uani . . . . . .
N155 N 0.6339(4) 0.6517(7) 0.6237(3) 0.0771 1.0000 Uani . . . . . .
C156 C 0.5876(5) 0.6844(9) 0.6036(4) 0.0842 1.0000 Uani . . . . . .
C157 C 0.5944(4) 0.7562(8) 0.5815(4) 0.0835 1.0000 Uani . . . . . .
N158 N 0.6224(4) 0.7302(7) 0.5552(3) 0.0831 1.0000 Uani . . . . . .
C159 C 0.5886(5) 0.6897(10) 0.5267(4) 0.0905 1.0000 Uani . . . . . .
C160 C 0.6140(5) 0.6322(9) 0.5061(4) 0.0845 1.0000 Uani . . . . . .
N161 N 0.6420(4) 0.5636(7) 0.5264(3) 0.0795 1.0000 Uani . . . . . .
C162 C 0.6088(4) 0.5022(9) 0.5354(4) 0.0824 1.0000 Uani . . . . . .
C163 C 0.6341(5) 0.4426(8) 0.5629(4) 0.0780 1.0000 Uani . . . . . .
C164 C 0.6918(5) 0.4352(8) 0.6163(4) 0.0787 1.0000 Uani . . . . . .
C165 C 0.7359(4) 0.4389(7) 0.6013(3) 0.0716 1.0000 Uani . . . . . .
O166 O 0.7665(3) 0.3797(5) 0.6096(2) 0.0743 1.0000 Uani . . . . . .
O167 O 0.7405(3) 0.4992(5) 0.5826(2) 0.0697 1.0000 Uani . . . . . .
C168 C 0.6545(5) 0.7120(8) 0.6521(3) 0.0795 1.0000 Uani . . . . . .
C169 C 0.6875(5) 0.7774(8) 0.6428(4) 0.0812 1.0000 Uani . . . . . .
O170 O 0.6960(5) 0.8382(6) 0.6618(3) 0.0955 1.0000 Uani . . . . . .
O171 O 0.7045(3) 0.7631(6) 0.6170(2) 0.0814 1.0000 Uani . . . . . .
C172 C 0.6455(7) 0.8029(10) 0.5427(4) 0.0976 1.0000 Uani . . . . . .
C173 C 0.6877(6) 0.7771(9) 0.5290(4) 0.0899 1.0000 Uani . . . . . .
O174 O 0.6977(5) 0.8198(8) 0.5059(4) 0.1110 1.0000 Uani . . . . . .
O175 O 0.7109(4) 0.7125(7) 0.5408(3) 0.0890 1.0000 Uani . . . . . .
O176 O 0.7812(4) 0.6619(7) 0.5948(2) 0.0897 1.0000 Uani . . . . . .
C177 C 0.6734(5) 0.5248(8) 0.5058(3) 0.0760 1.0000 Uani . . . . . .
H31 H 1.2320 0.3048 0.2524 0.0889 1.0000 Uiso R . . . . .
H32 H 1.1766 0.2947 0.2348 0.0888 1.0000 Uiso R . . . . .
H41 H 1.2179 0.2507 0.3036 0.0920 1.0000 Uiso R . . . . .
H42 H 1.2030 0.1848 0.2735 0.0921 1.0000 Uiso R . . . . .
H61 H 1.1229 0.2046 0.2379 0.1029 1.0000 Uiso R . . . . .
H62 H 1.1200 0.1286 0.2631 0.1030 1.0000 Uiso R . . . . .
H71 H 1.0523 0.1884 0.2759 0.0889 1.0000 Uiso R . . . . .
H72 H 1.0439 0.1728 0.2358 0.0889 1.0000 Uiso R . . . . .
H91 H 1.0813 0.2930 0.2090 0.0941 1.0000 Uiso R . . . . .
H92 H 1.0242 0.2929 0.1975 0.0940 1.0000 Uiso R . . . . .
H101 H 1.0518 0.4201 0.1833 0.0930 1.0000 Uiso R . . . . .
H102 H 1.0241 0.4340 0.2129 0.0929 1.0000 Uiso R . . . . .
H121 H 1.1359 0.4846 0.1959 0.0959 1.0000 Uiso R . . . . .
H122 H 1.1363 0.3873 0.2029 0.0959 1.0000 Uiso R . . . . .
H131 H 1.2101 0.4430 0.2274 0.0929 1.0000 Uiso R . . . . .
H132 H 1.1856 0.5068 0.2482 0.0928 1.0000 Uiso R . . . . .
H141 H 1.2596 0.3941 0.2908 0.0900 1.0000 Uiso R . . . . .
H142 H 1.2319 0.4783 0.2936 0.0899 1.0000 Uiso R . . . . .
H181 H 1.1759 0.2090 0.3377 0.0920 1.0000 Uiso R . . . . .
H182 H 1.1487 0.1314 0.3174 0.0921 1.0000 Uiso R . . . . .
H221 H 1.1131 0.5715 0.2414 0.0919 1.0000 Uiso R . . . . .
H222 H 1.0686 0.5618 0.2095 0.0919 1.0000 Uiso R . . . . .
H271 H 1.0030 0.2978 0.2792 0.0838 1.0000 Uiso R . . . . .
H272 H 0.9983 0.3760 0.2544 0.0839 1.0000 Uiso R . . . . .
H281 H 0.9628 0.2152 0.2316 0.0940 1.0000 Uiso R . . . . .
H282 H 0.9554 0.2970 0.2087 0.0940 1.0000 Uiso R . . . . .
H291 H 0.9123 0.3553 0.2474 0.0820 1.0000 Uiso R . . . . .
H292 H 0.9146 0.2668 0.2653 0.0820 1.0000 Uiso R . . . . .
H331 H 0.8943 0.1643 0.2072 0.0840 1.0000 Uiso R . . . . .
H332 H 0.8384 0.1724 0.1913 0.0840 1.0000 Uiso R . . . . .
H341 H 0.8785 0.1443 0.2618 0.0829 1.0000 Uiso R . . . . .
H342 H 0.8543 0.0734 0.2361 0.0830 1.0000 Uiso R . . . . .
H361 H 0.7747 0.1094 0.2016 0.0790 1.0000 Uiso R . . . . .
H362 H 0.7668 0.0492 0.2312 0.0790 1.0000 Uiso R . . . . .
H371 H 0.7119 0.1428 0.2455 0.0940 1.0000 Uiso R . . . . .
H372 H 0.6946 0.1170 0.2064 0.0940 1.0000 Uiso R . . . . .
H391 H 0.7412 0.2069 0.1709 0.0969 1.0000 Uiso R . . . . .
H392 H 0.6855 0.2272 0.1626 0.0970 1.0000 Uiso R . . . . .
H401 H 0.7245 0.3346 0.1417 0.1030 1.0000 Uiso R . . . . .
H402 H 0.7046 0.3701 0.1726 0.1029 1.0000 Uiso R . . . . .
H421 H 0.8104 0.3555 0.1455 0.0989 1.0000 Uiso R . . . . .
H422 H 0.8011 0.2655 0.1595 0.0990 1.0000 Uiso R . . . . .
H431 H 0.8743 0.3760 0.1933 0.0858 1.0000 Uiso R . . . . .
H432 H 0.8835 0.2932 0.1741 0.0860 1.0000 Uiso R . . . . .
H441 H 0.8221 0.0669 0.2867 0.0839 1.0000 Uiso R . . . . .
H442 H 0.7762 0.1209 0.2876 0.0839 1.0000 Uiso R . . . . .
H481 H 0.6666 0.2487 0.2388 0.0859 1.0000 Uiso R . . . . .
H482 H 0.6486 0.2709 0.1994 0.0859 1.0000 Uiso R . . . . .
H521 H 0.7854 0.4696 0.1635 0.1089 1.0000 Uiso R . . . . .
H522 H 0.7521 0.4715 0.1901 0.1089 1.0000 Uiso R . . . . .
H631 H 0.9830 -0.0614 0.3705 0.0878 1.0000 Uiso R . . . . .
H632 H 0.9653 -0.0410 0.4043 0.0879 1.0000 Uiso R . . . . .
H641 H 1.0434 0.0136 0.4067 0.0919 1.0000 Uiso R . . . . .
H642 H 1.0213 0.0715 0.3749 0.0919 1.0000 Uiso R . . . . .
H661 H 1.0438 0.0725 0.4648 0.0930 1.0000 Uiso R . . . . .
H662 H 0.9989 0.0140 0.4515 0.0930 1.0000 Uiso R . . . . .
H671 H 0.9879 0.0853 0.4986 0.0919 1.0000 Uiso R . . . . .
H672 H 0.9956 0.1720 0.4815 0.0920 1.0000 Uiso R . . . . .
H691 H 0.9101 0.0244 0.4873 0.0830 1.0000 Uiso R . . . . .
H692 H 0.9288 -0.0026 0.4546 0.0829 1.0000 Uiso R . . . . .
H701 H 0.8452 -0.0203 0.4467 0.0829 1.0000 Uiso R . . . . .
H702 H 0.8401 0.0777 0.4500 0.0829 1.0000 Uiso R . . . . .
H721 H 0.8936 -0.0646 0.4089 0.0900 1.0000 Uiso R . . . . .
H722 H 0.8399 -0.0723 0.3871 0.0899 1.0000 Uiso R . . . . .
H731 H 0.8940 -0.0866 0.3522 0.0869 1.0000 Uiso R . . . . .
H732 H 0.8604 -0.0077 0.3414 0.0870 1.0000 Uiso R . . . . .
H741 H 0.9608 0.0042 0.3233 0.0921 1.0000 Uiso R . . . . .
H742 H 0.9076 0.0389 0.3119 0.0919 1.0000 Uiso R . . . . .
H781 H 1.0639 0.1717 0.4372 0.0979 1.0000 Uiso R . . . . .
H782 H 1.0404 0.1922 0.3981 0.0981 1.0000 Uiso R . . . . .
H821 H 0.7846 0.0410 0.3973 0.0839 1.0000 Uiso R . . . . .
H822 H 0.8028 0.0634 0.3639 0.0839 1.0000 Uiso R . . . . .
H861 H 0.9244 0.2376 0.4815 0.0860 1.0000 Uiso R . . . . .
H862 H 0.8747 0.1897 0.4715 0.0861 1.0000 Uiso R . . . . .
H871 H 0.9470 0.1612 0.5313 0.1030 1.0000 Uiso R . . . . .
H872 H 0.8994 0.1067 0.5211 0.1031 1.0000 Uiso R . . . . .
H881 H 0.9026 0.2790 0.5372 0.0869 1.0000 Uiso R . . . . .
H882 H 0.8540 0.2282 0.5256 0.0870 1.0000 Uiso R . . . . .
H931 H 0.6803 0.1166 0.3685 0.0910 1.0000 Uiso R . . . . .
H932 H 0.6274 0.1196 0.3456 0.0910 1.0000 Uiso R . . . . .
H941 H 0.6270 0.1173 0.4038 0.0899 1.0000 Uiso R . . . . .
H942 H 0.6034 0.2011 0.3864 0.0899 1.0000 Uiso R . . . . .
H961 H 0.6653 0.2760 0.4629 0.0931 1.0000 Uiso R . . . . .
H962 H 0.6181 0.2244 0.4469 0.0930 1.0000 Uiso R . . . . .
H971 H 0.6002 0.3666 0.4423 0.0980 1.0000 Uiso R . . . . .
H972 H 0.5952 0.3292 0.4049 0.0979 1.0000 Uiso R . . . . .
H981 H 0.6474 0.5175 0.3965 0.0930 1.0000 Uiso R . . . . .
H982 H 0.5980 0.4874 0.4043 0.0928 1.0000 Uiso R . . . . .
H991 H 0.5927 0.4820 0.3454 0.0940 1.0000 Uiso R . . . . .
H992 H 0.5891 0.3910 0.3598 0.0939 1.0000 Uiso R . . . . .
H1011 H 0.6505 0.3523 0.2993 0.0968 1.0000 Uiso R . . . . .
H1012 H 0.5982 0.3791 0.3022 0.0971 1.0000 Uiso R . . . . .
H1021 H 0.5972 0.2714 0.3404 0.0919 1.0000 Uiso R . . . . .
H1022 H 0.6052 0.2357 0.3053 0.0919 1.0000 Uiso R . . . . .
H1041 H 0.7120 0.1571 0.3289 0.0889 1.0000 Uiso R . . . . .
H1042 H 0.6719 0.1932 0.2982 0.0889 1.0000 Uiso R . . . . .
H1081 H 0.6893 0.1365 0.4572 0.0961 1.0000 Uiso R . . . . .
H1082 H 0.7122 0.1208 0.4253 0.0960 1.0000 Uiso R . . . . .
H1231 H 0.9585 0.2436 0.5876 0.0832 1.0000 Uiso R . . . . .
H1232 H 0.9533 0.1451 0.5887 0.0829 1.0000 Uiso R . . . . .
H1241 H 0.9792 0.1961 0.6441 0.0890 1.0000 Uiso R . . . . .
H1242 H 0.9280 0.1542 0.6396 0.0889 1.0000 Uiso R . . . . .
H1261 H 0.9426 0.2295 0.6925 0.0949 1.0000 Uiso R . . . . .
H1262 H 0.9149 0.3160 0.6909 0.0948 1.0000 Uiso R . . . . .
H1271 H 0.8678 0.2066 0.7005 0.0839 1.0000 Uiso R . . . . .
H1272 H 0.8724 0.1656 0.6653 0.0839 1.0000 Uiso R . . . . .
H1291 H 0.7853 0.1772 0.6720 0.0890 1.0000 Uiso R . . . . .
H1292 H 0.7568 0.2424 0.6451 0.0888 1.0000 Uiso R . . . . .
H1301 H 0.8152 0.1126 0.6297 0.0829 1.0000 Uiso R . . . . .
H1302 H 0.7582 0.1148 0.6179 0.0828 1.0000 Uiso R . . . . .
H1321 H 0.7968 0.0787 0.5691 0.0869 1.0000 Uiso R . . . . .
H1322 H 0.8017 0.1537 0.5443 0.0869 1.0000 Uiso R . . . . .
H1331 H 0.8735 0.1085 0.6025 0.0829 1.0000 Uiso R . . . . .
H1332 H 0.8754 0.0835 0.5645 0.0828 1.0000 Uiso R . . . . .
H1341 H 0.9941 0.3244 0.6535 0.0969 1.0000 Uiso R . . . . .
H1342 H 0.9565 0.3899 0.6615 0.0970 1.0000 Uiso R . . . . .
H1381 H 0.8312 0.3183 0.7052 0.0820 1.0000 Uiso R . . . . .
H1382 H 0.7860 0.3466 0.6767 0.0820 1.0000 Uiso R . . . . .
H1421 H 0.7261 0.2414 0.5876 0.0919 1.0000 Uiso R . . . . .
H1422 H 0.7265 0.1711 0.5597 0.0918 1.0000 Uiso R . . . . .
H1531 H 0.6097 0.4486 0.6257 0.0979 1.0000 Uiso R . . . . .
H1532 H 0.5850 0.5141 0.5971 0.0981 1.0000 Uiso R . . . . .
H1541 H 0.6538 0.5556 0.6578 0.1011 1.0000 Uiso R . . . . .
H1542 H 0.5981 0.5767 0.6507 0.1008 1.0000 Uiso R . . . . .
H1561 H 0.5684 0.7028 0.6193 0.1009 1.0000 Uiso R . . . . .
H1562 H 0.5709 0.6401 0.5893 0.1008 1.0000 Uiso R . . . . .
H1571 H 0.6119 0.8002 0.5957 0.1001 1.0000 Uiso R . . . . .
H1572 H 0.5632 0.7769 0.5695 0.0999 1.0000 Uiso R . . . . .
H1591 H 0.5658 0.6569 0.5357 0.1091 1.0000 Uiso R . . . . .
H1592 H 0.5717 0.7324 0.5115 0.1090 1.0000 Uiso R . . . . .
H1601 H 0.6355 0.6658 0.4963 0.1009 1.0000 Uiso R . . . . .
H1602 H 0.5896 0.6071 0.4880 0.1009 1.0000 Uiso R . . . . .
H1621 H 0.5843 0.5315 0.5439 0.0989 1.0000 Uiso R . . . . .
H1622 H 0.5941 0.4707 0.5150 0.0990 1.0000 Uiso R . . . . .
H1631 H 0.6605 0.4161 0.5553 0.0939 1.0000 Uiso R . . . . .
H1632 H 0.6113 0.4006 0.5664 0.0941 1.0000 Uiso R . . . . .
H1641 H 0.7001 0.4544 0.6399 0.0949 1.0000 Uiso R . . . . .
H1642 H 0.6805 0.3780 0.6158 0.0950 1.0000 Uiso R . . . . .
H1681 H 0.6727 0.6799 0.6715 0.0950 1.0000 Uiso R . . . . .
H1682 H 0.6282 0.7404 0.6589 0.0951 1.0000 Uiso R . . . . .
H1721 H 0.6561 0.8418 0.5614 0.1170 1.0000 Uiso R . . . . .
H1722 H 0.6221 0.8299 0.5244 0.1170 1.0000 Uiso R . . . . .
C178 C 0.6477(7) 0.4937(16) 0.4708(5) 0.1239 1.0000 Uani . . . . . .
H1791 H 0.7022 0.4830 0.4465 0.0929 1.0000 Uiso R . . . . .
H1792 H 0.6954 0.4020 0.4677 0.0930 1.0000 Uiso R . . . . .
H1781 H 0.6352 0.5417 0.4569 0.1480 1.0000 Uiso R . . . . .
H1782 H 0.6214 0.4584 0.4735 0.1480 1.0000 Uiso R . . . . .
H1771 H 0.6962 0.5664 0.5023 0.0910 1.0000 Uiso R . . . . .
H1772 H 0.6903 0.4780 0.5187 0.0910 1.0000 Uiso R . . . . .
H261 H 1.0962 0.4217 0.3648 0.1090 1.0000 Uiso R . . . . .
H263 H 1.0763 0.4794 0.3507 0.1090 1.0000 Uiso R . . . . .
H561 H 0.7981 0.3993 0.3210 0.1210 1.0000 Uiso R . . . . .
H562 H 0.8277 0.4304 0.3110 0.1209 1.0000 Uiso R . . . . .
H1171 H 0.8195 0.4038 0.4004 0.1149 1.0000 Uiso R . . . . .
H1172 H 0.8141 0.3143 0.4049 0.1149 1.0000 Uiso R . . . . .
H1463 H 0.8070 0.4951 0.5761 0.1219 1.0000 Uiso R . . . . .
H1464 H 0.8477 0.5100 0.5804 0.1220 1.0000 Uiso R . . . . .
H1031 H 0.9168 0.3454 0.3656 0.0977 1.0000 Uiso R . . . . .
H1032 H 0.8594 0.3236 0.3614 0.0977 1.0000 Uiso R . . . . .
H1761 H 0.7977 0.6877 0.6156 0.1069 1.0000 Uiso R . . . . .
H1762 H 0.7981 0.6488 0.5776 0.1069 1.0000 Uiso R . . . . .
H1121 H 0.6878 0.4660 0.3156 0.0977 1.0000 Uiso R . . . . .
H1122 H 0.6490 0.5235 0.3250 0.0977 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Eu -8.9294 11.1857 24.6274 2.3879 19.0886 0.1942 13.7603 13.7546 2.9227 123.1740
2.5745 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0727 0.0534 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476 0.2776
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.3639 0.7018 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O140 2_766 Eu1 . N2 . 70.5(3) yes
O140 2_766 Eu1 . N5 . 132.7(3) yes
N2 . Eu1 . N5 . 67.4(3) yes
O140 2_766 Eu1 . N8 . 143.5(3) yes
N2 . Eu1 . N8 . 103.5(3) yes
N5 . Eu1 . N8 . 68.5(3) yes
O140 2_766 Eu1 . N11 . 77.0(3) yes
N2 . Eu1 . N11 . 66.8(3) yes
N5 . Eu1 . N11 . 104.3(3) yes
N8 . Eu1 . N11 . 68.0(3) yes
O140 2_766 Eu1 . O17 . 73.1(3) yes
N2 . Eu1 . O17 . 66.3(3) yes
N5 . Eu1 . O17 . 71.2(3) yes
N8 . Eu1 . O17 . 139.0(3) yes
N11 . Eu1 . O17 . 130.4(3) yes
O140 2_766 Eu1 . O21 . 139.1(3) yes
N2 . Eu1 . O21 . 128.5(3) yes
N5 . Eu1 . O21 . 64.0(3) yes
N8 . Eu1 . O21 . 73.6(3) yes
N11 . Eu1 . O21 . 141.4(3) yes
O140 2_766 Eu1 . O25 . 72.0(3) yes
N2 . Eu1 . O25 . 122.0(3) yes
N5 . Eu1 . O25 . 151.3(3) yes
N8 . Eu1 . O25 . 82.8(3) yes
N11 . Eu1 . O25 . 62.7(3) yes
O140 2_766 Eu1 . O26 . 76.5(3) yes
N2 . Eu1 . O26 . 136.2(3) yes
N5 . Eu1 . O26 . 123.1(3) yes
N8 . Eu1 . O26 . 120.2(3) yes
N11 . Eu1 . O26 . 131.9(3) yes
O17 . Eu1 . O21 . 82.8(3) yes
O17 . Eu1 . O25 . 137.2(3) yes
O21 . Eu1 . O25 . 108.8(3) yes
O17 . Eu1 . O26 . 77.3(3) yes
O21 . Eu1 . O26 . 66.1(3) yes
O25 . Eu1 . O26 . 71.2(3) yes
Eu1 . N2 . C3 . 111.2(7) yes
Eu1 . N2 . C13 . 110.2(7) yes
C3 . N2 . C13 . 108.9(9) yes
Eu1 . N2 . C14 . 108.3(6) yes
C3 . N2 . C14 . 110.6(9) yes
C13 . N2 . C14 . 107.6(9) yes
N2 . C3 . C4 . 111.7(9) yes
N2 . C3 . H31 . 109.2 no
C4 . C3 . H31 . 108.8 no
N2 . C3 . H32 . 108.9 no
C4 . C3 . H32 . 108.6 no
H31 . C3 . H32 . 109.6 no
C3 . C4 . N5 . 111.9(10) yes
C3 . C4 . H41 . 108.3 no
N5 . C4 . H41 . 108.7 no
C3 . C4 . H42 . 109.2 no
N5 . C4 . H42 . 109.2 no
H41 . C4 . H42 . 109.6 no
C4 . N5 . Eu1 . 111.0(7) yes
C4 . N5 . C6 . 108.9(10) yes
Eu1 . N5 . C6 . 110.1(7) yes
C4 . N5 . C18 . 110.4(10) yes
Eu1 . N5 . C18 . 107.0(7) yes
C6 . N5 . C18 . 109.3(11) yes
N5 . C6 . C7 . 114.7(11) yes
N5 . C6 . H61 . 108.1 no
C7 . C6 . H61 . 107.3 no
N5 . C6 . H62 . 108.4 no
C7 . C6 . H62 . 108.3 no
H61 . C6 . H62 . 109.9 no
C6 . C7 . N8 . 112.2(10) yes
C6 . C7 . H71 . 109.0 no
N8 . C7 . H71 . 108.7 no
C6 . C7 . H72 . 108.6 no
N8 . C7 . H72 . 108.6 no
H71 . C7 . H72 . 109.7 no
C7 . N8 . Eu1 . 109.3(7) yes
C7 . N8 . C9 . 109.8(9) yes
Eu1 . N8 . C9 . 110.0(7) yes
C7 . N8 . C27 . 111.1(9) yes
Eu1 . N8 . C27 . 103.8(6) yes
C9 . N8 . C27 . 112.7(10) yes
N8 . C9 . C10 . 112.9(10) yes
N8 . C9 . H91 . 108.2 no
C10 . C9 . H91 . 108.7 no
N8 . C9 . H92 . 108.7 no
C10 . C9 . H92 . 108.7 no
H91 . C9 . H92 . 109.6 no
C9 . C10 . N11 . 112.3(10) yes
C9 . C10 . H101 . 109.0 no
N11 . C10 . H101 . 108.9 no
C9 . C10 . H102 . 108.6 no
N11 . C10 . H102 . 108.6 no
H101 . C10 . H102 . 109.4 no
C10 . N11 . Eu1 . 109.0(7) yes
C10 . N11 . C12 . 110.3(10) yes
Eu1 . N11 . C12 . 113.4(7) yes
C10 . N11 . C22 . 106.7(10) yes
Eu1 . N11 . C22 . 105.9(7) yes
C12 . N11 . C22 . 111.3(10) yes
N11 . C12 . C13 . 111.8(10) yes
N11 . C12 . H121 . 108.9 no
C13 . C12 . H121 . 109.1 no
N11 . C12 . H122 . 108.8 no
C13 . C12 . H122 . 108.8 no
H121 . C12 . H122 . 109.4 no
N2 . C13 . C12 . 113.9(10) yes
N2 . C13 . H131 . 109.3 no
C12 . C13 . H131 . 108.7 no
N2 . C13 . H132 . 108.4 no
C12 . C13 . H132 . 107.7 no
H131 . C13 . H132 . 108.8 no
N2 . C14 . C15 . 114.5(9) yes
N2 . C14 . H141 . 108.3 no
C15 . C14 . H141 . 108.9 no
N2 . C14 . H142 . 107.9 no
C15 . C14 . H142 . 108.0 no
H141 . C14 . H142 . 109.2 no
C14 . C15 . O16 . 117.0(10) yes
C14 . C15 . O17 . 118.1(10) yes
O16 . C15 . O17 . 124.9(11) yes
C15 . O16 . Eu151 2_766 145.7(8) yes
C15 . O17 . Eu1 . 122.9(7) yes
N5 . C18 . C19 . 111.9(10) yes
N5 . C18 . H181 . 108.6 no
C19 . C18 . H181 . 108.3 no
N5 . C18 . H182 . 109.6 no
C19 . C18 . H182 . 108.8 no
H181 . C18 . H182 . 109.7 no
C18 . C19 . O20 . 118.2(10) yes
C18 . C19 . O21 . 116.8(11) yes
O20 . C19 . O21 . 125.0(12) yes
C19 . O21 . Eu1 . 126.7(8) yes
N11 . C22 . C23 . 111.1(10) yes
N11 . C22 . H221 . 108.6 no
C23 . C22 . H221 . 108.6 no
N11 . C22 . H222 . 109.3 no
C23 . C22 . H222 . 109.3 no
H221 . C22 . H222 . 109.9 no
C22 . C23 . O24 . 117.4(12) yes
C22 . C23 . O25 . 117.9(10) yes
O24 . C23 . O25 . 124.6(13) yes
C23 . O25 . Eu1 . 123.1(8) yes
Eu1 . O26 . H261 . 132.1 no
Eu1 . O26 . H263 . 137.8 no
H261 . O26 . H263 . 90.0 no
N8 . C27 . C28 . 115.4(10) yes
N8 . C27 . H271 . 108.2 no
C28 . C27 . H271 . 108.1 no
N8 . C27 . H272 . 107.7 no
C28 . C27 . H272 . 108.1 no
H271 . C27 . H272 . 109.2 no
C27 . C28 . C29 . 110.3(10) yes
C27 . C28 . H281 . 109.5 no
C29 . C28 . H281 . 109.5 no
C27 . C28 . H282 . 109.1 no
C29 . C28 . H282 . 109.1 no
H281 . C28 . H282 . 109.4 no
C28 . C29 . N32 . 116.7(9) yes
C28 . C29 . H291 . 107.3 no
N32 . C29 . H291 . 107.4 no
C28 . C29 . H292 . 107.5 no
N32 . C29 . H292 . 108.1 no
H291 . C29 . H292 . 109.7 no
N32 . Eu31 . N35 . 66.9(3) yes
N32 . Eu31 . N38 . 102.4(3) yes
N35 . Eu31 . N38 . 67.5(3) yes
N32 . Eu31 . N41 . 65.1(3) yes
N35 . Eu31 . N41 . 101.6(3) yes
N38 . Eu31 . N41 . 67.2(3) yes
N32 . Eu31 . O47 . 81.1(3) yes
N35 . Eu31 . O47 . 62.8(3) yes
N38 . Eu31 . O47 . 123.8(3) yes
N41 . Eu31 . O47 . 146.2(3) yes
N32 . Eu31 . O51 . 136.2(3) yes
N35 . Eu31 . O51 . 131.5(3) yes
N38 . Eu31 . O51 . 65.9(3) yes
N41 . Eu31 . O51 . 71.8(3) yes
O47 . Eu31 . O51 . 141.5(3) yes
N32 . Eu31 . O55 . 72.0(3) yes
N35 . Eu31 . O55 . 138.2(3) yes
N38 . Eu31 . O55 . 130.6(3) yes
N41 . Eu31 . O55 . 66.3(3) yes
O47 . Eu31 . O55 . 104.2(3) yes
N32 . Eu31 . O56 . 125.5(3) yes
N35 . Eu31 . O56 . 130.7(3) yes
N38 . Eu31 . O56 . 132.0(3) yes
N41 . Eu31 . O56 . 127.4(3) yes
O47 . Eu31 . O56 . 72.1(3) yes
N32 . Eu31 . O106 . 143.5(3) yes
N35 . Eu31 . O106 . 77.9(3) yes
N38 . Eu31 . O106 . 71.0(3) yes
N41 . Eu31 . O106 . 134.4(3) yes
O47 . Eu31 . O106 . 74.5(3) yes
O51 . Eu31 . O55 . 84.5(3) yes
O51 . Eu31 . O56 . 76.3(3) yes
O55 . Eu31 . O56 . 70.1(3) yes
O51 . Eu31 . O106 . 75.3(3) yes
O55 . Eu31 . O106 . 140.0(3) yes
O56 . Eu31 . O106 . 71.7(3) yes
C29 . N32 . Eu31 . 107.9(6) yes
C29 . N32 . C33 . 111.8(8) yes
Eu31 . N32 . C33 . 110.1(7) yes
C29 . N32 . C43 . 107.5(9) yes
Eu31 . N32 . C43 . 112.0(6) yes
C33 . N32 . C43 . 107.6(9) yes
N32 . C33 . C34 . 109.9(9) yes
N32 . C33 . H331 . 109.2 no
C34 . C33 . H331 . 109.4 no
N32 . C33 . H332 . 109.5 no
C34 . C33 . H332 . 109.3 no
H331 . C33 . H332 . 109.5 no
C33 . C34 . N35 . 113.8(8) yes
C33 . C34 . H341 . 108.3 no
N35 . C34 . H341 . 108.6 no
C33 . C34 . H342 . 108.4 no
N35 . C34 . H342 . 108.5 no
H341 . C34 . H342 . 109.2 no
C34 . N35 . Eu31 . 110.9(6) yes
C34 . N35 . C36 . 109.6(8) yes
Eu31 . N35 . C36 . 113.9(6) yes
C34 . N35 . C44 . 106.9(9) yes
Eu31 . N35 . C44 . 104.8(6) yes
C36 . N35 . C44 . 110.4(9) yes
N35 . C36 . C37 . 110.9(9) yes
N35 . C36 . H361 . 108.9 no
C37 . C36 . H361 . 109.6 no
N35 . C36 . H362 . 109.2 no
C37 . C36 . H362 . 109.1 no
H361 . C36 . H362 . 109.1 no
C36 . C37 . N38 . 112.0(10) yes
C36 . C37 . H371 . 108.6 no
N38 . C37 . H371 . 108.7 no
C36 . C37 . H372 . 108.6 no
N38 . C37 . H372 . 109.3 no
H371 . C37 . H372 . 109.6 no
C37 . N38 . Eu31 . 109.7(6) yes
C37 . N38 . C39 . 108.8(10) yes
Eu31 . N38 . C39 . 112.3(7) yes
C37 . N38 . C48 . 109.4(9) yes
Eu31 . N38 . C48 . 107.1(6) yes
C39 . N38 . C48 . 109.5(9) yes
N38 . C39 . C40 . 110.8(11) yes
N38 . C39 . H391 . 108.6 no
C40 . C39 . H391 . 108.6 no
N38 . C39 . H392 . 109.5 no
C40 . C39 . H392 . 109.5 no
H391 . C39 . H392 . 109.9 no
C39 . C40 . N41 . 111.6(9) yes
C39 . C40 . H401 . 108.7 no
N41 . C40 . H401 . 108.7 no
C39 . C40 . H402 . 109.2 no
N41 . C40 . H402 . 109.2 no
H401 . C40 . H402 . 109.3 no
C40 . N41 . Eu31 . 108.7(8) yes
C40 . N41 . C42 . 109.0(11) yes
Eu31 . N41 . C42 . 114.8(7) yes
C40 . N41 . C52 . 110.8(10) yes
Eu31 . N41 . C52 . 102.2(8) yes
C42 . N41 . C52 . 111.1(11) yes
N41 . C42 . C43 . 113.8(11) yes
N41 . C42 . H421 . 108.3 no
C43 . C42 . H421 . 108.6 no
N41 . C42 . H422 . 108.3 no
C43 . C42 . H422 . 108.1 no
H421 . C42 . H422 . 109.7 no
C42 . C43 . N32 . 111.0(10) yes
C42 . C43 . H431 . 109.0 no
N32 . C43 . H431 . 108.1 no
C42 . C43 . H432 . 109.0 no
N32 . C43 . H432 . 109.9 no
H431 . C43 . H432 . 109.7 no
N35 . C44 . C45 . 111.5(9) yes
N35 . C44 . H441 . 109.2 no
C45 . C44 . H441 . 108.8 no
N35 . C44 . H442 . 108.8 no
C45 . C44 . H442 . 109.1 no
H441 . C44 . H442 . 109.5 no
C44 . C45 . O46 . 116.8(10) yes
C44 . C45 . O47 . 117.7(10) yes
O46 . C45 . O47 . 125.6(11) yes
C45 . O46 . Eu61 . 144.1(8) yes
C45 . O47 . Eu31 . 119.4(7) yes
N38 . C48 . C49 . 115.0(10) yes
N38 . C48 . H481 . 107.4 no
C49 . C48 . H481 . 108.1 no
N38 . C48 . H482 . 108.5 no
C49 . C48 . H482 . 108.2 no
H481 . C48 . H482 . 109.6 no
C48 . C49 . O50 . 119.1(11) yes
C48 . C49 . O51 . 116.3(10) yes
O50 . C49 . O51 . 124.6(12) yes
C49 . O51 . Eu31 . 125.4(8) yes
N41 . C52 . C53 . 112.1(11) yes
N41 . C52 . H521 . 108.9 no
C53 . C52 . H521 . 108.8 no
N41 . C52 . H522 . 108.4 no
C53 . C52 . H522 . 108.8 no
H521 . C52 . H522 . 109.9 no
C52 . C53 . O54 . 119.4(14) yes
C52 . C53 . O55 . 117.0(12) yes
O54 . C53 . O55 . 123.4(14) yes
C53 . O55 . Eu31 . 125.2(9) yes
Eu31 . O56 . H561 . 125.2 no
Eu31 . O56 . H562 . 118.2 no
H561 . O56 . H562 . 87.0 no
O46 . Eu61 . N62 . 70.7(3) yes
O46 . Eu61 . N65 . 135.6(3) yes
N62 . Eu61 . N65 . 68.2(3) yes
O46 . Eu61 . N68 . 140.6(3) yes
N62 . Eu61 . N68 . 102.7(3) yes
N65 . Eu61 . N68 . 66.5(3) yes
O46 . Eu61 . N71 . 75.4(3) yes
N62 . Eu61 . N71 . 68.2(3) yes
N65 . Eu61 . N71 . 103.8(3) yes
N68 . Eu61 . N71 . 66.5(3) yes
O46 . Eu61 . O77 . 75.5(3) yes
N62 . Eu61 . O77 . 65.0(3) yes
N65 . Eu61 . O77 . 72.4(3) yes
N68 . Eu61 . O77 . 138.6(3) yes
N71 . Eu61 . O77 . 130.8(3) yes
O46 . Eu61 . O81 . 141.8(3) yes
N62 . Eu61 . O81 . 131.7(3) yes
N65 . Eu61 . O81 . 65.9(3) yes
N68 . Eu61 . O81 . 72.0(3) yes
N71 . Eu61 . O81 . 137.5(3) yes
O46 . Eu61 . O85 . 75.6(3) yes
N62 . Eu61 . O85 . 126.2(3) yes
N65 . Eu61 . O85 . 144.9(3) yes
N68 . Eu61 . O85 . 78.6(3) yes
N71 . Eu61 . O85 . 63.4(3) yes
O46 . Eu61 . O103 . 71.3(3) yes
N62 . Eu61 . O103 . 129.7(3) yes
N65 . Eu61 . O103 . 126.3(3) yes
N68 . Eu61 . O103 . 127.5(3) yes
N71 . Eu61 . O103 . 129.8(3) yes
O77 . Eu61 . O81 . 87.3(3) yes
O77 . Eu61 . O85 . 141.6(3) yes
O81 . Eu61 . O85 . 100.4(3) yes
O77 . Eu61 . O103 . 74.6(3) yes
O81 . Eu61 . O103 . 71.4(3) yes
O85 . Eu61 . O103 . 72.5(3) yes
Eu61 . N62 . C63 . 109.3(7) yes
Eu61 . N62 . C73 . 108.6(7) yes
C63 . N62 . C73 . 110.5(9) yes
Eu61 . N62 . C74 . 108.9(7) yes
C63 . N62 . C74 . 109.9(10) yes
C73 . N62 . C74 . 109.6(9) yes
N62 . C63 . C64 . 111.5(9) yes
N62 . C63 . H631 . 108.6 no
C64 . C63 . H631 . 108.6 no
N62 . C63 . H632 . 109.3 no
C64 . C63 . H632 . 109.2 no
H631 . C63 . H632 . 109.6 no
C63 . C64 . N65 . 110.2(10) yes
C63 . C64 . H641 . 109.1 no
N65 . C64 . H641 . 109.2 no
C63 . C64 . H642 . 109.5 no
N65 . C64 . H642 . 109.3 no
H641 . C64 . H642 . 109.5 no
C64 . N65 . Eu61 . 109.7(7) yes
C64 . N65 . C66 . 108.9(10) yes
Eu61 . N65 . C66 . 113.5(7) yes
C64 . N65 . C78 . 111.4(10) yes
Eu61 . N65 . C78 . 104.2(8) yes
C66 . N65 . C78 . 109.1(10) yes
N65 . C66 . C67 . 114.5(10) yes
N65 . C66 . H661 . 108.4 no
C67 . C66 . H661 . 108.4 no
N65 . C66 . H662 . 108.3 no
C67 . C66 . H662 . 108.1 no
H661 . C66 . H662 . 109.0 no
C66 . C67 . N68 . 113.1(10) yes
C66 . C67 . H671 . 108.3 no
N68 . C67 . H671 . 108.1 no
C66 . C67 . H672 . 108.9 no
N68 . C67 . H672 . 109.0 no
H671 . C67 . H672 . 109.4 no
Eu61 . N68 . C67 . 109.9(7) yes
Eu61 . N68 . C69 . 106.9(7) yes
C67 . N68 . C69 . 108.9(9) yes
Eu61 . N68 . C86 . 110.2(7) yes
C67 . N68 . C86 . 109.6(9) yes
C69 . N68 . C86 . 111.2(9) yes
N68 . C69 . C70 . 112.4(9) yes
N68 . C69 . H691 . 108.9 no
C70 . C69 . H691 . 108.5 no
N68 . C69 . H692 . 108.8 no
C70 . C69 . H692 . 108.7 no
H691 . C69 . H692 . 109.5 no
C69 . C70 . N71 . 110.5(9) yes
C69 . C70 . H701 . 109.2 no
N71 . C70 . H701 . 109.2 no
C69 . C70 . H702 . 109.2 no
N71 . C70 . H702 . 109.1 no
H701 . C70 . H702 . 109.6 no
C70 . N71 . Eu61 . 112.1(6) yes
C70 . N71 . C72 . 109.2(9) yes
Eu61 . N71 . C72 . 112.4(7) yes
C70 . N71 . C82 . 107.7(9) yes
Eu61 . N71 . C82 . 103.1(6) yes
C72 . N71 . C82 . 112.1(9) yes
N71 . C72 . C73 . 114.3(9) yes
N71 . C72 . H721 . 108.0 no
C73 . C72 . H721 . 108.2 no
N71 . C72 . H722 . 108.2 no
C73 . C72 . H722 . 108.3 no
H721 . C72 . H722 . 109.7 no
N62 . C73 . C72 . 112.9(9) yes
N62 . C73 . H731 . 108.9 no
C72 . C73 . H731 . 109.0 no
N62 . C73 . H732 . 108.3 no
C72 . C73 . H732 . 108.4 no
H731 . C73 . H732 . 109.3 no
N62 . C74 . C75 . 115.4(10) yes
N62 . C74 . H741 . 108.0 no
C75 . C74 . H741 . 107.9 no
N62 . C74 . H742 . 107.8 no
C75 . C74 . H742 . 107.9 no
H741 . C74 . H742 . 109.8 no
C74 . C75 . O76 . 119.8(11) yes
C74 . C75 . O77 . 115.8(10) yes
O76 . C75 . O77 . 124.3(12) yes
C75 . O77 . Eu61 . 126.4(8) yes
N65 . C78 . C79 . 114.2(11) yes
N65 . C78 . H781 . 107.8 no
C79 . C78 . H781 . 108.4 no
N65 . C78 . H782 . 108.4 no
C79 . C78 . H782 . 108.3 no
H781 . C78 . H782 . 109.8 no
C78 . C79 . O80 . 121.5(16) yes
C78 . C79 . O81 . 117.6(13) yes
O80 . C79 . O81 . 120.9(17) yes
C79 . O81 . Eu61 . 124.2(9) yes
N71 . C82 . C83 . 110.6(9) yes
N71 . C82 . H821 . 108.8 no
C83 . C82 . H821 . 109.5 no
N71 . C82 . H822 . 109.2 no
C83 . C82 . H822 . 109.3 no
H821 . C82 . H822 . 109.5 no
C82 . C83 . O84 . 116.2(10) yes
C82 . C83 . O85 . 118.5(10) yes
O84 . C83 . O85 . 125.4(10) yes
C83 . O84 . Eu91 . 138.6(7) yes
C83 . O85 . Eu61 . 118.8(7) yes
N68 . C86 . C87 . 114.0(10) yes
N68 . C86 . H861 . 108.0 no
C87 . C86 . H861 . 108.2 no
N68 . C86 . H862 . 108.7 no
C87 . C86 . H862 . 108.2 no
H861 . C86 . H862 . 109.8 no
Eu91 . N86 . C97 . 111.2(7) yes
Eu91 . N86 . C98 . 110.2(7) yes
C97 . N86 . C98 . 108.5(10) yes
Eu91 . N86 . C179 . 108.4(7) yes
C97 . N86 . C179 . 111.4(10) yes
C98 . N86 . C179 . 107.0(9) yes
C86 . C87 . C88 . 111.7(11) yes
C86 . C87 . H871 . 108.9 no
C88 . C87 . H871 . 108.5 no
C86 . C87 . H872 . 109.2 no
C88 . C87 . H872 . 109.1 no
H871 . C87 . H872 . 109.6 no
C87 . C88 . N122 . 113.9(10) yes
C87 . C88 . H881 . 107.9 no
N122 . C88 . H881 . 108.0 no
C87 . C88 . H882 . 108.7 no
N122 . C88 . H882 . 108.8 no
H881 . C88 . H882 . 109.4 no
N86 . Eu91 . O84 . 143.0(3) yes
N86 . Eu91 . N92 . 103.0(3) yes
O84 . Eu91 . N92 . 69.2(3) yes
N86 . Eu91 . N95 . 67.3(3) yes
O84 . Eu91 . N95 . 76.7(3) yes
N92 . Eu91 . N95 . 67.5(3) yes
N86 . Eu91 . N100 . 67.9(3) yes
O84 . Eu91 . N100 . 131.5(3) yes
N92 . Eu91 . N100 . 66.8(3) yes
N95 . Eu91 . N100 . 103.6(3) yes
N86 . Eu91 . O107 . 137.3(3) yes
O84 . Eu91 . O107 . 74.6(3) yes
N92 . Eu91 . O107 . 66.3(3) yes
N95 . Eu91 . O107 . 131.7(3) yes
N100 . Eu91 . O107 . 70.1(3) yes
N86 . Eu91 . O111 . 82.2(3) yes
O84 . Eu91 . O111 . 74.2(3) yes
N92 . Eu91 . O111 . 123.9(3) yes
N95 . Eu91 . O111 . 63.6(3) yes
N100 . Eu91 . O111 . 150.1(3) yes
N86 . Eu91 . O115 . 73.4(3) yes
O84 . Eu91 . O115 . 140.6(3) yes
N92 . Eu91 . O115 . 128.4(3) yes
N95 . Eu91 . O115 . 140.4(3) yes
N100 . Eu91 . O115 . 64.5(3) yes
N86 . Eu91 . O117 . 122.9(3) yes
O84 . Eu91 . O117 . 75.5(3) yes
N92 . Eu91 . O117 . 133.9(3) yes
N95 . Eu91 . O117 . 131.3(3) yes
N100 . Eu91 . O117 . 124.8(3) yes
O107 . Eu91 . O111 . 139.2(3) yes
O107 . Eu91 . O115 . 82.0(3) yes
O111 . Eu91 . O115 . 106.9(3) yes
O107 . Eu91 . O117 . 76.5(3) yes
O111 . Eu91 . O117 . 70.7(3) yes
O115 . Eu91 . O117 . 68.4(3) yes
Eu91 . N92 . C93 . 109.2(7) yes
Eu91 . N92 . C102 . 111.6(7) yes
C93 . N92 . C102 . 109.5(9) yes
Eu91 . N92 . C104 . 105.8(7) yes
C93 . N92 . C104 . 111.6(9) yes
C102 . N92 . C104 . 109.1(10) yes
N92 . C93 . C94 . 113.5(10) yes
N92 . C93 . H931 . 108.1 no
C94 . C93 . H931 . 108.8 no
N92 . C93 . H932 . 108.3 no
C94 . C93 . H932 . 109.0 no
H931 . C93 . H932 . 109.2 no
C93 . C94 . N95 . 112.2(10) yes
C93 . C94 . H941 . 108.8 no
N95 . C94 . H941 . 108.4 no
C93 . C94 . H942 . 108.9 no
N95 . C94 . H942 . 108.5 no
H941 . C94 . H942 . 110.0 no
C94 . N95 . Eu91 . 113.4(7) yes
C94 . N95 . C96 . 109.7(9) yes
Eu91 . N95 . C96 . 110.4(7) yes
C94 . N95 . C108 . 110.0(10) yes
Eu91 . N95 . C108 . 105.7(7) yes
C96 . N95 . C108 . 107.4(10) yes
N95 . C96 . C97 . 113.0(10) yes
N95 . C96 . H961 . 108.4 no
C97 . C96 . H961 . 108.3 no
N95 . C96 . H962 . 108.4 no
C97 . C96 . H962 . 108.9 no
H961 . C96 . H962 . 109.8 no
C96 . C97 . N86 . 111.0(10) yes
C96 . C97 . H971 . 109.4 no
N86 . C97 . H971 . 109.4 no
C96 . C97 . H972 . 109.0 no
N86 . C97 . H972 . 108.4 no
H971 . C97 . H972 . 109.5 no
N86 . C98 . C99 . 110.8(10) yes
N86 . C98 . H981 . 109.0 no
C99 . C98 . H981 . 108.6 no
N86 . C98 . H982 . 109.4 no
C99 . C98 . H982 . 109.4 no
H981 . C98 . H982 . 109.6 no
C98 . C99 . N100 . 115.6(10) yes
C98 . C99 . H991 . 108.8 no
N100 . C99 . H991 . 108.1 no
C98 . C99 . H992 . 107.6 no
N100 . C99 . H992 . 107.3 no
H991 . C99 . H992 . 109.4 no
C99 . N100 . Eu91 . 110.3(7) yes
C99 . N100 . C101 . 108.6(10) yes
Eu91 . N100 . C101 . 110.8(7) yes
C99 . N100 . C112 . 108.9(10) yes
Eu91 . N100 . C112 . 106.0(7) yes
C101 . N100 . C112 . 112.2(10) yes
N100 . C101 . C102 . 112.4(10) yes
N100 . C101 . H1011 . 108.8 no
C102 . C101 . H1011 . 108.9 no
N100 . C101 . H1012 . 108.3 no
C102 . C101 . H1012 . 108.6 no
H1011 . C101 . H1012 . 109.7 no
C101 . C102 . N92 . 112.2(10) yes
C101 . C102 . H1021 . 108.8 no
N92 . C102 . H1021 . 108.6 no
C101 . C102 . H1022 . 108.8 no
N92 . C102 . H1022 . 108.9 no
H1021 . C102 . H1022 . 109.5 no
Eu61 . O103 . H1031 . 120.1 no
Eu61 . O103 . H1032 . 119.9 no
H1031 . O103 . H1032 . 120.0 no
N92 . C104 . C105 . 117.0(10) yes
N92 . C104 . H1041 . 107.4 no
C105 . C104 . H1041 . 107.2 no
N92 . C104 . H1042 . 108.2 no
C105 . C104 . H1042 . 107.7 no
H1041 . C104 . H1042 . 109.1 no
C104 . C105 . O106 . 116.8(10) yes
C104 . C105 . O107 . 118.5(10) yes
O106 . C105 . O107 . 124.6(11) yes
C105 . O106 . Eu31 . 149.1(8) yes
C105 . O107 . Eu91 . 122.6(7) yes
N95 . C108 . C109 . 111.2(10) yes
N95 . C108 . H1081 . 109.4 no
C109 . C108 . H1081 . 109.3 no
N95 . C108 . H1082 . 108.5 no
C109 . C108 . H1082 . 109.0 no
H1081 . C108 . H1082 . 109.3 no
C108 . C109 . O110 . 118.5(12) yes
C108 . C109 . O111 . 115.8(10) yes
O110 . C109 . O111 . 125.8(12) yes
C109 . O111 . Eu91 . 120.6(7) yes
N100 . C112 . C113 . 113.2(11) yes
N100 . C112 . H1121 . 108.4 no
C113 . C112 . H1121 . 108.4 no
N100 . C112 . H1122 . 108.7 no
C113 . C112 . H1122 . 108.6 no
H1121 . C112 . H1122 . 109.5 no
C112 . C113 . O114 . 116.5(12) yes
C112 . C113 . O115 . 117.5(12) yes
O114 . C113 . O115 . 125.9(14) yes
C113 . O115 . Eu91 . 126.9(9) yes
N86 . C179 . C178 . 115.3(11) yes
N86 . C179 . H1791 . 108.1 no
C178 . C179 . H1791 . 108.0 no
N86 . C179 . H1792 . 107.7 no
C178 . C179 . H1792 . 108.0 no
H1791 . C179 . H1792 . 109.7 no
Eu91 . O117 . H1171 . 134.0 no
Eu91 . O117 . H1172 . 95.6 no
H1171 . O117 . H1172 . 120.1 no
N122 . Eu121 . N125 . 66.6(3) yes
N122 . Eu121 . N128 . 103.0(3) yes
N125 . Eu121 . N128 . 67.3(3) yes
N122 . Eu121 . N131 . 67.9(3) yes
N125 . Eu121 . N131 . 103.0(3) yes
N128 . Eu121 . N131 . 67.0(3) yes
N122 . Eu121 . O137 . 72.8(3) yes
N125 . Eu121 . O137 . 64.5(3) yes
N128 . Eu121 . O137 . 128.7(3) yes
N131 . Eu121 . O137 . 140.4(3) yes
N122 . Eu121 . O141 . 136.1(3) yes
N125 . Eu121 . O141 . 70.0(3) yes
N128 . Eu121 . O141 . 65.0(3) yes
N131 . Eu121 . O141 . 130.2(3) yes
O137 . Eu121 . O141 . 82.9(3) yes
N122 . Eu121 . O145 . 82.8(3) yes
N125 . Eu121 . O145 . 149.4(3) yes
N128 . Eu121 . O145 . 123.4(3) yes
N131 . Eu121 . O145 . 63.6(3) yes
O137 . Eu121 . O145 . 107.1(3) yes
N122 . Eu121 . O146 . 122.8(3) yes
N125 . Eu121 . O146 . 125.1(3) yes
N128 . Eu121 . O146 . 134.0(3) yes
N131 . Eu121 . O146 . 131.5(3) yes
O137 . Eu121 . O146 . 68.3(3) yes
N122 . Eu121 . O166 . 144.9(3) yes
N125 . Eu121 . O166 . 132.7(3) yes
N128 . Eu121 . O166 . 70.4(3) yes
N131 . Eu121 . O166 . 78.2(3) yes
O137 . Eu121 . O166 . 138.9(3) yes
O141 . Eu121 . O145 . 140.2(3) yes
O141 . Eu121 . O146 . 78.0(3) yes
O145 . Eu121 . O146 . 70.9(3) yes
O141 . Eu121 . O166 . 73.9(3) yes
O145 . Eu121 . O166 . 74.0(3) yes
O146 . Eu121 . O166 . 73.9(3) yes
C88 . N122 . Eu121 . 106.8(6) yes
C88 . N122 . C123 . 109.8(10) yes
Eu121 . N122 . C123 . 110.4(6) yes
C88 . N122 . C133 . 112.1(9) yes
Eu121 . N122 . C133 . 108.4(7) yes
C123 . N122 . C133 . 109.3(9) yes
N122 . C123 . C124 . 112.4(9) yes
N122 . C123 . H1231 . 109.1 no
C124 . C123 . H1231 . 109.3 no
N122 . C123 . H1232 . 108.4 no
C124 . C123 . H1232 . 108.2 no
H1231 . C123 . H1232 . 109.4 no
C123 . C124 . N125 . 113.0(10) yes
C123 . C124 . H1241 . 108.6 no
N125 . C124 . H1241 . 108.5 no
C123 . C124 . H1242 . 108.9 no
N125 . C124 . H1242 . 108.4 no
H1241 . C124 . H1242 . 109.4 no
C124 . N125 . Eu121 . 111.9(7) yes
C124 . N125 . C126 . 107.7(9) yes
Eu121 . N125 . C126 . 109.3(7) yes
C124 . N125 . C134 . 109.1(10) yes
Eu121 . N125 . C134 . 106.5(7) yes
C126 . N125 . C134 . 112.4(10) yes
N125 . C126 . C127 . 112.7(9) yes
N125 . C126 . H1261 . 108.2 no
C127 . C126 . H1261 . 108.3 no
N125 . C126 . H1262 . 109.1 no
C127 . C126 . H1262 . 108.4 no
H1261 . C126 . H1262 . 110.2 no
C126 . C127 . N128 . 113.2(9) yes
C126 . C127 . H1271 . 108.7 no
N128 . C127 . H1271 . 108.3 no
C126 . C127 . H1272 . 108.6 no
N128 . C127 . H1272 . 108.2 no
H1271 . C127 . H1272 . 109.7 no
C127 . N128 . Eu121 . 110.3(7) yes
C127 . N128 . C129 . 109.8(9) yes
Eu121 . N128 . C129 . 110.5(7) yes
C127 . N128 . C138 . 108.3(8) yes
Eu121 . N128 . C138 . 107.9(6) yes
C129 . N128 . C138 . 110.0(9) yes
N128 . C129 . C130 . 112.0(9) yes
N128 . C129 . H1291 . 108.5 no
C130 . C129 . H1291 . 108.6 no
N128 . C129 . H1292 . 109.4 no
C130 . C129 . H1292 . 108.8 no
H1291 . C129 . H1292 . 109.4 no
C129 . C130 . N131 . 112.5(9) yes
C129 . C130 . H1301 . 108.3 no
N131 . C130 . H1301 . 108.0 no
C129 . C130 . H1302 . 108.8 no
N131 . C130 . H1302 . 109.3 no
H1301 . C130 . H1302 . 109.8 no
C130 . N131 . Eu121 . 114.1(6) yes
C130 . N131 . C132 . 110.3(8) yes
Eu121 . N131 . C132 . 109.9(7) yes
C130 . N131 . C142 . 109.4(10) yes
Eu121 . N131 . C142 . 104.8(7) yes
C132 . N131 . C142 . 107.9(9) yes
N131 . C132 . C133 . 112.2(9) yes
N131 . C132 . H1321 . 108.5 no
C133 . C132 . H1321 . 108.3 no
N131 . C132 . H1322 . 109.1 no
C133 . C132 . H1322 . 109.5 no
H1321 . C132 . H1322 . 109.3 no
C132 . C133 . N122 . 112.6(9) yes
C132 . C133 . H1331 . 108.4 no
N122 . C133 . H1331 . 108.8 no
C132 . C133 . H1332 . 108.8 no
N122 . C133 . H1332 . 108.8 no
H1331 . C133 . H1332 . 109.4 no
N125 . C134 . C135 . 112.5(11) yes
N125 . C134 . H1341 . 108.6 no
C135 . C134 . H1341 . 109.0 no
N125 . C134 . H1342 . 108.1 no
C135 . C134 . H1342 . 108.9 no
H1341 . C134 . H1342 . 109.7 no
C134 . C135 . O136 . 118.9(14) yes
C134 . C135 . O137 . 116.6(12) yes
O136 . C135 . O137 . 124.4(15) yes
C135 . O137 . Eu121 . 127.3(9) yes
N128 . C138 . C139 . 113.1(9) yes
N128 . C138 . H1381 . 108.6 no
C139 . C138 . H1381 . 109.0 no
N128 . C138 . H1382 . 108.6 no
C139 . C138 . H1382 . 108.3 no
H1381 . C138 . H1382 . 109.2 no
C138 . C139 . O140 . 118.2(10) yes
C138 . C139 . O141 . 119.1(10) yes
O140 . C139 . O141 . 122.7(10) yes
C139 . O140 . Eu1 2_766 136.0(7) yes
C139 . O141 . Eu121 . 125.6(7) yes
N131 . C142 . C143 . 112.3(11) yes
N131 . C142 . H1421 . 109.2 no
C143 . C142 . H1421 . 109.0 no
N131 . C142 . H1422 . 108.6 no
C143 . C142 . H1422 . 108.2 no
H1421 . C142 . H1422 . 109.5 no
C142 . C143 . O144 . 119.2(13) yes
C142 . C143 . O145 . 116.2(10) yes
O144 . C143 . O145 . 124.5(13) yes
C143 . O145 . Eu121 . 119.3(8) yes
Eu121 . O146 . H1463 . 117.1 no
Eu121 . O146 . H1464 . 124.2 no
H1463 . O146 . H1464 . 89.7 no
O16 2_766 Eu151 . N152 . 78.4(3) yes
O16 2_766 Eu151 . N155 . 71.7(3) yes
N152 . Eu151 . N155 . 67.5(3) yes
O16 2_766 Eu151 . N158 . 134.1(3) yes
N152 . Eu151 . N158 . 102.8(3) yes
N155 . Eu151 . N158 . 67.1(4) yes
O16 2_766 Eu151 . N161 . 143.7(3) yes
N152 . Eu151 . N161 . 66.8(4) yes
N155 . Eu151 . N161 . 102.5(3) yes
N158 . Eu151 . N161 . 66.7(3) yes
O16 2_766 Eu151 . O167 . 75.6(3) yes
N152 . Eu151 . O167 . 62.8(3) yes
N155 . Eu151 . O167 . 124.5(3) yes
N158 . Eu151 . O167 . 146.3(3) yes
N161 . Eu151 . O167 . 79.6(3) yes
O16 2_766 Eu151 . O171 . 73.7(3) yes
N152 . Eu151 . O171 . 130.6(3) yes
N155 . Eu151 . O171 . 65.4(3) yes
N158 . Eu151 . O171 . 71.6(3) yes
N161 . Eu151 . O171 . 137.8(3) yes
O16 2_766 Eu151 . O175 . 138.6(3) yes
N152 . Eu151 . O175 . 139.9(4) yes
N155 . Eu151 . O175 . 128.9(3) yes
N158 . Eu151 . O175 . 64.9(4) yes
N161 . Eu151 . O175 . 73.5(4) yes
O16 2_766 Eu151 . O176 . 71.5(3) yes
N152 . Eu151 . O176 . 130.3(3) yes
N155 . Eu151 . O176 . 133.0(3) yes
N158 . Eu151 . O176 . 126.5(4) yes
N161 . Eu151 . O176 . 124.5(3) yes
O167 . Eu151 . O171 . 141.6(3) yes
O167 . Eu151 . O175 . 105.2(3) yes
O171 . Eu151 . O175 . 83.7(3) yes
O167 . Eu151 . O176 . 71.8(3) yes
O171 . Eu151 . O176 . 76.9(3) yes
O175 . Eu151 . O176 . 69.7(3) yes
Eu151 . N152 . C153 . 113.2(7) yes
Eu151 . N152 . C163 . 111.5(8) yes
C153 . N152 . C163 . 109.8(10) yes
Eu151 . N152 . C164 . 104.5(7) yes
C153 . N152 . C164 . 111.0(11) yes
C163 . N152 . C164 . 106.6(10) yes
N152 . C153 . C154 . 112.3(11) yes
N152 . C153 . H1531 . 108.9 no
C154 . C153 . H1531 . 109.1 no
N152 . C153 . H1532 . 108.2 no
C154 . C153 . H1532 . 108.7 no
H1531 . C153 . H1532 . 109.6 no
C153 . C154 . N155 . 111.5(11) yes
C153 . C154 . H1541 . 109.4 no
N155 . C154 . H1541 . 109.1 no
C153 . C154 . H1542 . 108.7 no
N155 . C154 . H1542 . 108.6 no
H1541 . C154 . H1542 . 109.5 no
C154 . N155 . Eu151 . 109.8(8) yes
C154 . N155 . C156 . 109.3(11) yes
Eu151 . N155 . C156 . 112.4(8) yes
C154 . N155 . C168 . 107.5(10) yes
Eu151 . N155 . C168 . 108.5(7) yes
C156 . N155 . C168 . 109.3(10) yes
N155 . C156 . C157 . 112.0(12) yes
N155 . C156 . H1561 . 109.0 no
C157 . C156 . H1561 . 108.8 no
N155 . C156 . H1562 . 108.7 no
C157 . C156 . H1562 . 109.1 no
H1561 . C156 . H1562 . 109.1 no
C156 . C157 . N158 . 111.2(10) yes
C156 . C157 . H1571 . 109.5 no
N158 . C157 . H1571 . 108.7 no
C156 . C157 . H1572 . 109.1 no
N158 . C157 . H1572 . 109.0 no
H1571 . C157 . H1572 . 109.4 no
C157 . N158 . Eu151 . 109.5(8) yes
C157 . N158 . C159 . 107.6(11) yes
Eu151 . N158 . C159 . 113.4(8) yes
C157 . N158 . C172 . 111.5(11) yes
Eu151 . N158 . C172 . 104.5(9) yes
C159 . N158 . C172 . 110.3(12) yes
N158 . C159 . C160 . 112.2(11) yes
N158 . C159 . H1591 . 109.1 no
C160 . C159 . H1591 . 108.6 no
N158 . C159 . H1592 . 108.7 no
C160 . C159 . H1592 . 108.6 no
H1591 . C159 . H1592 . 109.5 no
C159 . C160 . N161 . 114.5(12) yes
C159 . C160 . H1601 . 108.2 no
N161 . C160 . H1601 . 108.6 no
C159 . C160 . H1602 . 107.8 no
N161 . C160 . H1602 . 107.9 no
H1601 . C160 . H1602 . 109.9 no
C160 . N161 . Eu151 . 108.5(7) yes
C160 . N161 . C162 . 109.3(10) yes
Eu151 . N161 . C162 . 108.8(8) yes
C160 . N161 . C177 . 108.8(11) yes
Eu151 . N161 . C177 . 110.1(7) yes
C162 . N161 . C177 . 111.2(10) yes
N161 . C162 . C163 . 111.9(10) yes
N161 . C162 . H1621 . 108.8 no
C163 . C162 . H1621 . 108.3 no
N161 . C162 . H1622 . 108.9 no
C163 . C162 . H1622 . 109.1 no
H1621 . C162 . H1622 . 109.7 no
C162 . C163 . N152 . 110.8(10) yes
C162 . C163 . H1631 . 108.9 no
N152 . C163 . H1631 . 109.6 no
C162 . C163 . H1632 . 108.6 no
N152 . C163 . H1632 . 109.1 no
H1631 . C163 . H1632 . 109.8 no
N152 . C164 . C165 . 110.1(10) yes
N152 . C164 . H1641 . 109.9 no
C165 . C164 . H1641 . 109.4 no
N152 . C164 . H1642 . 108.8 no
C165 . C164 . H1642 . 109.5 no
H1641 . C164 . H1642 . 109.0 no
C164 . C165 . O166 . 116.7(11) yes
C164 . C165 . O167 . 118.7(10) yes
O166 . C165 . O167 . 124.6(11) yes
C165 . O166 . Eu121 . 141.8(8) yes
C165 . O167 . Eu151 . 120.1(7) yes
N155 . C168 . C169 . 114.5(11) yes
N155 . C168 . H1681 . 107.9 no
C169 . C168 . H1681 . 108.3 no
N155 . C168 . H1682 . 108.4 no
C169 . C168 . H1682 . 108.3 no
H1681 . C168 . H1682 . 109.4 no
C168 . C169 . O170 . 116.2(12) yes
C168 . C169 . O171 . 117.2(12) yes
O170 . C169 . O171 . 126.5(13) yes
C169 . O171 . Eu151 . 124.8(9) yes
N158 . C172 . C173 . 111.6(12) yes
N158 . C172 . H1721 . 109.0 no
C173 . C172 . H1721 . 109.0 no
N158 . C172 . H1722 . 108.8 no
C173 . C172 . H1722 . 108.9 no
H1721 . C172 . H1722 . 109.6 no
C172 . C173 . O174 . 117.7(14) yes
C172 . C173 . O175 . 119.4(14) yes
O174 . C173 . O175 . 122.9(16) yes
C173 . O175 . Eu151 . 125.6(10) yes
Eu151 . O176 . H1761 . 119.9 no
Eu151 . O176 . H1762 . 120.1 no
H1761 . O176 . H1762 . 120.0 no
N161 . C177 . C178 . 115.3(11) yes
N161 . C177 . H1771 . 107.9 no
C178 . C177 . H1771 . 107.1 no
N161 . C177 . H1772 . 108.3 no
C178 . C177 . H1772 . 108.5 no
H1771 . C177 . H1772 . 109.7 no
C177 . C178 . C179 . 114.4(13) yes
C177 . C178 . H1781 . 108.0 no
C179 . C178 . H1781 . 108.1 no
C177 . C178 . H1782 . 108.3 no
C179 . C178 . H1782 . 108.4 no
H1781 . C178 . H1782 . 109.6 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 . O140 2_766 2.464(8) yes
Eu1 . N2 . 2.643(9) yes
Eu1 . N5 . 2.686(9) yes
Eu1 . N8 . 2.688(9) yes
Eu1 . N11 . 2.697(10) yes
Eu1 . O17 . 2.415(8) yes
Eu1 . O21 . 2.415(8) yes
Eu1 . O25 . 2.453(8) yes
Eu1 . O26 . 2.414(8) yes
N2 . C3 . 1.470(14) yes
N2 . C13 . 1.502(15) yes
N2 . C14 . 1.449(16) yes
C3 . C4 . 1.524(19) yes
C3 . H31 . 0.971 no
C3 . H32 . 0.970 no
C4 . N5 . 1.460(16) yes
C4 . H41 . 0.969 no
C4 . H42 . 0.966 no
N5 . C6 . 1.505(18) yes
N5 . C18 . 1.469(16) yes
C6 . C7 . 1.504(19) yes
C6 . H61 . 0.971 no
C6 . H62 . 0.972 no
C7 . N8 . 1.490(16) yes
C7 . H71 . 0.968 no
C7 . H72 . 0.970 no
N8 . C9 . 1.461(17) yes
N8 . C27 . 1.485(15) yes
C9 . C10 . 1.506(19) yes
C9 . H91 . 0.971 no
C9 . H92 . 0.972 no
C10 . N11 . 1.509(16) yes
C10 . H101 . 0.970 no
C10 . H102 . 0.968 no
N11 . C12 . 1.473(17) yes
N11 . C22 . 1.479(16) yes
C12 . C13 . 1.48(2) yes
C12 . H121 . 0.967 no
C12 . H122 . 0.968 no
C13 . H131 . 0.971 no
C13 . H132 . 0.970 no
C14 . C15 . 1.546(16) yes
C14 . H141 . 0.972 no
C14 . H142 . 0.965 no
C15 . O16 . 1.243(14) yes
C15 . O17 . 1.264(14) yes
O16 . Eu151 2_766 2.417(8) yes
C18 . C19 . 1.528(17) yes
C18 . H181 . 0.966 no
C18 . H182 . 0.972 no
C19 . O20 . 1.250(16) yes
C19 . O21 . 1.238(14) yes
C22 . C23 . 1.515(19) yes
C22 . H221 . 0.967 no
C22 . H222 . 0.967 no
C23 . O24 . 1.239(15) yes
C23 . O25 . 1.251(15) yes
O26 . H261 . 0.820 no
O26 . H263 . 0.817 no
C27 . C28 . 1.537(16) yes
C27 . H271 . 0.969 no
C27 . H272 . 0.971 no
C28 . C29 . 1.527(18) yes
C28 . H281 . 0.968 no
C28 . H282 . 0.968 no
C29 . N32 . 1.482(14) yes
C29 . H291 . 0.965 no
C29 . H292 . 0.968 no
Eu31 . N32 . 2.769(9) yes
Eu31 . N35 . 2.666(9) yes
Eu31 . N38 . 2.649(9) yes
Eu31 . N41 . 2.716(10) yes
Eu31 . O47 . 2.450(8) yes
Eu31 . O51 . 2.362(8) yes
Eu31 . O55 . 2.335(9) yes
Eu31 . O56 . 2.506(9) yes
Eu31 . O106 . 2.390(8) yes
N32 . C33 . 1.490(14) yes
N32 . C43 . 1.483(15) yes
C33 . C34 . 1.523(17) yes
C33 . H331 . 0.970 no
C33 . H332 . 0.967 no
C34 . N35 . 1.479(15) yes
C34 . H341 . 0.967 no
C34 . H342 . 0.967 no
N35 . C36 . 1.482(13) yes
N35 . C44 . 1.454(15) yes
C36 . C37 . 1.525(17) yes
C36 . H361 . 0.970 no
C36 . H362 . 0.968 no
C37 . N38 . 1.507(16) yes
C37 . H371 . 0.970 no
C37 . H372 . 0.967 no
N38 . C39 . 1.474(16) yes
N38 . C48 . 1.468(15) yes
C39 . C40 . 1.51(2) yes
C39 . H391 . 0.968 no
C39 . H392 . 0.965 no
C40 . N41 . 1.494(18) yes
C40 . H401 . 0.966 no
C40 . H402 . 0.968 no
N41 . C42 . 1.448(18) yes
N41 . C52 . 1.457(18) yes
C42 . C43 . 1.540(18) yes
C42 . H421 . 0.968 no
C42 . H422 . 0.971 no
C43 . H431 . 0.963 no
C43 . H432 . 0.970 no
C44 . C45 . 1.517(16) yes
C44 . H441 . 0.965 no
C44 . H442 . 0.966 no
C45 . O46 . 1.239(14) yes
C45 . O47 . 1.261(15) yes
O46 . Eu61 . 2.432(8) yes
C48 . C49 . 1.519(17) yes
C48 . H481 . 0.966 no
C48 . H482 . 0.964 no
C49 . O50 . 1.222(16) yes
C49 . O51 . 1.280(15) yes
C52 . C53 . 1.53(2) yes
C52 . H521 . 0.968 no
C52 . H522 . 0.965 no
C53 . O54 . 1.246(17) yes
C53 . O55 . 1.251(17) yes
O56 . H561 . 0.819 no
O56 . H562 . 0.819 no
Eu61 . N62 . 2.670(10) yes
Eu61 . N65 . 2.680(11) yes
Eu61 . N68 . 2.783(10) yes
Eu61 . N71 . 2.676(9) yes
Eu61 . O77 . 2.370(9) yes
Eu61 . O81 . 2.341(10) yes
Eu61 . O85 . 2.391(8) yes
Eu61 . O103 . 2.484(9) yes
N62 . C63 . 1.483(15) yes
N62 . C73 . 1.518(16) yes
N62 . C74 . 1.481(16) yes
C63 . C64 . 1.530(19) yes
C63 . H631 . 0.970 no
C63 . H632 . 0.968 no
C64 . N65 . 1.496(17) yes
C64 . H641 . 0.967 no
C64 . H642 . 0.970 no
N65 . C66 . 1.494(16) yes
N65 . C78 . 1.474(18) yes
C66 . C67 . 1.511(18) yes
C66 . H661 . 0.968 no
C66 . H662 . 0.968 no
C67 . N68 . 1.467(13) yes
C67 . H671 . 0.971 no
C67 . H672 . 0.968 no
N68 . C69 . 1.465(16) yes
N68 . C86 . 1.520(15) yes
C69 . C70 . 1.502(16) yes
C69 . H691 . 0.968 no
C69 . H692 . 0.965 no
C70 . N71 . 1.488(14) yes
C70 . H701 . 0.966 no
C70 . H702 . 0.969 no
N71 . C72 . 1.474(15) yes
N71 . C82 . 1.485(15) yes
C72 . C73 . 1.502(17) yes
C72 . H721 . 0.968 no
C72 . H722 . 0.968 no
C73 . H731 . 0.970 no
C73 . H732 . 0.969 no
C74 . C75 . 1.501(18) yes
C74 . H741 . 0.968 no
C74 . H742 . 0.967 no
C75 . O76 . 1.219(15) yes
C75 . O77 . 1.310(15) yes
C78 . C79 . 1.49(2) yes
C78 . H781 . 0.968 no
C78 . H782 . 0.971 no
C79 . O80 . 1.23(2) yes
C79 . O81 . 1.29(2) yes
C82 . C83 . 1.519(16) yes
C82 . H821 . 0.966 no
C82 . H822 . 0.966 no
C83 . O84 . 1.278(14) yes
C83 . O85 . 1.259(14) yes
O84 . Eu91 . 2.471(8) yes
C86 . C87 . 1.514(17) yes
C86 . H861 . 0.968 no
C86 . H862 . 0.966 no
N86 . Eu91 . 2.689(9) yes
N86 . C97 . 1.457(18) yes
N86 . C98 . 1.514(16) yes
N86 . C179 . 1.504(15) yes
C87 . C88 . 1.527(18) yes
C87 . H871 . 0.970 no
C87 . H872 . 0.973 no
C88 . N122 . 1.510(15) yes
C88 . H881 . 0.970 no
C88 . H882 . 0.968 no
Eu91 . N92 . 2.665(9) yes
Eu91 . N95 . 2.667(9) yes
Eu91 . N100 . 2.714(10) yes
Eu91 . O107 . 2.407(8) yes
Eu91 . O111 . 2.370(8) yes
Eu91 . O115 . 2.355(8) yes
Eu91 . O117 . 2.462(8) yes
N92 . C93 . 1.492(16) yes
N92 . C102 . 1.482(16) yes
N92 . C104 . 1.443(16) yes
C93 . C94 . 1.501(18) yes
C93 . H931 . 0.966 no
C93 . H932 . 0.966 no
C94 . N95 . 1.473(16) yes
C94 . H941 . 0.967 no
C94 . H942 . 0.969 no
N95 . C96 . 1.473(17) yes
N95 . C108 . 1.466(17) yes
C96 . C97 . 1.524(19) yes
C96 . H961 . 0.968 no
C96 . H962 . 0.968 no
C97 . H971 . 0.970 no
C97 . H972 . 0.969 no
C98 . C99 . 1.515(18) yes
C98 . H981 . 0.973 no
C98 . H982 . 0.969 no
C99 . N100 . 1.475(16) yes
C99 . H991 . 0.965 no
C99 . H992 . 0.966 no
N100 . C101 . 1.475(17) yes
N100 . C112 . 1.440(17) yes
C101 . C102 . 1.495(19) yes
C101 . H1011 . 0.969 no
C101 . H1012 . 0.968 no
C102 . H1021 . 0.968 no
C102 . H1022 . 0.968 no
O103 . H1031 . 0.950 no
O103 . H1032 . 0.950 no
C104 . C105 . 1.495(17) yes
C104 . H1041 . 0.971 no
C104 . H1042 . 0.970 no
C105 . O106 . 1.248(14) yes
C105 . O107 . 1.259(14) yes
C108 . C109 . 1.560(18) yes
C108 . H1081 . 0.971 no
C108 . H1082 . 0.969 no
C109 . O110 . 1.236(15) yes
C109 . O111 . 1.287(16) yes
C112 . C113 . 1.52(2) yes
C112 . H1121 . 0.950 no
C112 . H1122 . 0.950 no
C113 . O114 . 1.238(18) yes
C113 . O115 . 1.241(16) yes
C179 . C178 . 1.50(2) yes
C179 . H1791 . 0.968 no
C179 . H1792 . 0.970 no
O117 . H1171 . 0.818 no
O117 . H1172 . 0.860 no
Eu121 . N122 . 2.731(10) yes
Eu121 . N125 . 2.720(10) yes
Eu121 . N128 . 2.686(9) yes
Eu121 . N131 . 2.654(9) yes
Eu121 . O137 . 2.376(10) yes
Eu121 . O141 . 2.371(8) yes
Eu121 . O145 . 2.403(9) yes
Eu121 . O146 . 2.451(9) yes
Eu121 . O166 . 2.447(9) yes
N122 . C123 . 1.481(14) yes
N122 . C133 . 1.455(15) yes
C123 . C124 . 1.514(17) yes
C123 . H1231 . 0.969 no
C123 . H1232 . 0.970 no
C124 . N125 . 1.490(15) yes
C124 . H1241 . 0.968 no
C124 . H1242 . 0.969 no
N125 . C126 . 1.502(16) yes
N125 . C134 . 1.484(16) yes
C126 . C127 . 1.47(2) yes
C126 . H1261 . 0.967 no
C126 . H1262 . 0.968 no
C127 . N128 . 1.478(15) yes
C127 . H1271 . 0.967 no
C127 . H1272 . 0.969 no
N128 . C129 . 1.482(15) yes
N128 . C138 . 1.487(14) yes
C129 . C130 . 1.519(17) yes
C129 . H1291 . 0.966 no
C129 . H1292 . 0.969 no
C130 . N131 . 1.489(14) yes
C130 . H1301 . 0.969 no
C130 . H1302 . 0.970 no
N131 . C132 . 1.487(15) yes
N131 . C142 . 1.466(15) yes
C132 . C133 . 1.513(17) yes
C132 . H1321 . 0.971 no
C132 . H1322 . 0.968 no
C133 . H1331 . 0.970 no
C133 . H1332 . 0.970 no
C134 . C135 . 1.50(2) yes
C134 . H1341 . 0.971 no
C134 . H1342 . 0.969 no
C135 . O136 . 1.215(18) yes
C135 . O137 . 1.295(18) yes
C138 . C139 . 1.502(15) yes
C138 . H1381 . 0.970 no
C138 . H1382 . 0.965 no
C139 . O140 . 1.262(13) yes
C139 . O141 . 1.261(14) yes
C142 . C143 . 1.532(19) yes
C142 . H1421 . 0.968 no
C142 . H1422 . 0.972 no
C143 . O144 . 1.234(15) yes
C143 . O145 . 1.281(17) yes
O146 . H1463 . 0.821 no
O146 . H1464 . 0.821 no
Eu151 . N152 . 2.670(10) yes
Eu151 . N155 . 2.633(11) yes
Eu151 . N158 . 2.721(11) yes
Eu151 . N161 . 2.741(11) yes
Eu151 . O167 . 2.450(7) yes
Eu151 . O171 . 2.449(9) yes
Eu151 . O175 . 2.339(11) yes
Eu151 . O176 . 2.402(12) yes
N152 . C153 . 1.471(17) yes
N152 . C163 . 1.493(17) yes
N152 . C164 . 1.475(17) yes
C153 . C154 . 1.51(2) yes
C153 . H1531 . 0.969 no
C153 . H1532 . 0.973 no
C154 . N155 . 1.509(19) yes
C154 . H1541 . 0.971 no
C154 . H1542 . 0.970 no
N155 . C156 . 1.474(16) yes
N155 . C168 . 1.501(16) yes
C156 . C157 . 1.49(2) yes
C156 . H1561 . 0.968 no
C156 . H1562 . 0.966 no
C157 . N158 . 1.516(18) yes
C157 . H1571 . 0.968 no
C157 . H1572 . 0.968 no
N158 . C159 . 1.464(19) yes
N158 . C172 . 1.48(2) yes
C159 . C160 . 1.522(19) yes
C159 . H1591 . 0.969 no
C159 . H1592 . 0.966 no
C160 . N161 . 1.485(17) yes
C160 . H1601 . 0.966 no
C160 . H1602 . 0.969 no
N161 . C162 . 1.466(19) yes
N161 . C177 . 1.486(16) yes
C162 . C163 . 1.506(19) yes
C162 . H1621 . 0.967 no
C162 . H1622 . 0.967 no
C163 . H1631 . 0.972 no
C163 . H1632 . 0.970 no
C164 . C165 . 1.515(17) yes
C164 . H1641 . 0.969 no
C164 . H1642 . 0.969 no
C165 . O166 . 1.278(14) yes
C165 . O167 . 1.247(15) yes
C168 . C169 . 1.511(19) yes
C168 . H1681 . 0.971 no
C168 . H1682 . 0.969 no
C169 . O170 . 1.224(17) yes
C169 . O171 . 1.256(17) yes
C172 . C173 . 1.49(3) yes
C172 . H1721 . 0.967 no
C172 . H1722 . 0.969 no
C173 . O174 . 1.23(2) yes
C173 . O175 . 1.257(18) yes
O176 . H1761 . 0.950 no
O176 . H1762 . 0.950 no
C177 . C178 . 1.504(19) yes
C177 . H1771 . 0.965 no
C177 . H1772 . 0.971 no
C178 . H1781 . 0.966 no
C178 . H1782 . 0.965 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C4 . H41 . C15 . 124 0.97 2.56 3.204(19) yes
C7 . H71 . C19 . 123 0.97 2.49 3.129(19) yes
C27 . H272 . O25 . 134 0.97 2.45 3.201(19) yes
C36 . H361 . O114 4_645 169 0.97 2.50 3.457(19) yes
C39 . H391 . O114 4_645 159 0.97 2.56 3.479(19) yes
C40 . H402 . C49 . 126 0.97 2.49 3.156(19) yes
C43 . H431 . C53 . 121 0.96 2.44 3.053(19) yes
C64 . H642 . C75 . 126 0.97 2.56 3.225(19) yes
C78 . H782 . O20 . 150 0.97 2.57 3.448(19) yes
C86 . H862 . O85 . 125 0.97 2.54 3.199(19) yes
C88 . H882 . O110 . 152 0.97 2.59 3.475(19) yes
C96 . H961 . O144 . 166 0.97 2.52 3.468(19) yes
C98 . H981 . C113 . 123 0.97 2.49 3.124(19) yes
C101 . H1011 . C105 . 123 0.97 2.50 3.133(19) yes
C123 . H1231 . C135 . 123 0.97 2.48 3.115(19) yes
C126 . H1262 . C139 . 124 0.97 2.49 3.133(19) yes
C132 . H1322 . O110 . 169 0.97 2.53 3.484(19) yes
C157 . H1571 . C169 . 124 0.97 2.54 3.190(19) yes
C160 . H1601 . C173 . 123 0.97 2.49 3.121(19) yes
O56 . H561 . O107 . 129 0.82 2.21 2.798(19) yes
O117 . H1172 . C83 . 153 0.86 2.43 3.218(19) yes
O117 . H1172 . O84 . 123 0.86 2.47 3.020(19) yes
O117 . H1172 . O85 . 175 0.86 1.86 2.719(19) yes
O146 . H1463 . O167 . 151 0.82 1.98 2.724(19) yes
O176 . H1761 . O17 2_766 124 0.95 2.09 2.733(19) yes
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.001 -0.007 0.005 7948 16 ' '
loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
_oxford_refln_omitted_details
1 1 2 x .
0 2 4 x .
-3 0 1 x .
1 2 1 x .
