#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/25/4302586.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_4302586
loop_
_publ_author_name
'Nail M. Shavaleev'
'Frédéric Gumy'
'Rosario Scopelliti'
'Jean-Claude G. Bünzli'
_publ_section_title
;
Highly Luminescent Homoleptic Europium Chelates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5611
_journal_page_last               5613
_journal_paper_doi               10.1021/ic9006372
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C57 H36 Eu N9 O6, 3(C2 H3 N)'
_chemical_formula_sum            'C63 H45 Eu N12 O6'
_chemical_formula_weight         1218.07
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.243(9)
_cell_angle_beta                 103.240(10)
_cell_angle_gamma                104.936(11)
_cell_formula_units_Z            2
_cell_length_a                   13.3872(18)
_cell_length_b                   13.6014(18)
_cell_length_c                   17.4666(18)
_cell_measurement_reflns_used    165
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.135
_cell_measurement_theta_min      3.875
_cell_volume                     2908.5(7)
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0642
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13271
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.33
_exptl_absorpt_coefficient_mu    1.140
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10, G.M.Sheldrick, 2003'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_platon_squeeze_details
;
;
_refine_diff_density_max         2.032
_refine_diff_density_min         -1.429
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         13271
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0549P)²+3.9545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1233
_reflns_number_gt                10732
_reflns_number_total             13271
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9006372_si_002.cif
_cod_data_source_block           ns52
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2908.5(6)
_cod_database_code               4302586
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.426203(17) 0.371766(15) 0.210785(11) 0.01896(7) Uani 1 1 d . . .
O1 O 0.2952(3) 0.4125(2) 0.11500(17) 0.0282(7) Uani 1 1 d . . .
O2 O 0.1609(3) 0.4824(3) 0.0800(2) 0.0444(9) Uani 1 1 d . . .
O3 O 0.5009(2) 0.5522(2) 0.26680(16) 0.0239(6) Uani 1 1 d . . .
O4 O 0.5942(3) 0.7161(2) 0.26990(17) 0.0325(7) Uani 1 1 d . . .
O5 O 0.6119(2) 0.3714(2) 0.24641(16) 0.0240(6) Uani 1 1 d . . .
O6 O 0.7158(3) 0.2772(2) 0.20787(18) 0.0301(7) Uani 1 1 d . . .
N1 N 0.2899(3) 0.4414(2) 0.2671(2) 0.0203(7) Uani 1 1 d . . .
N2 N 0.4405(3) 0.3805(2) 0.36637(19) 0.0183(6) Uani 1 1 d . . .
N3 N 0.3562(3) 0.3783(3) 0.46456(19) 0.0201(7) Uani 1 1 d . . .
N4 N 0.5410(3) 0.4737(3) 0.13333(19) 0.0221(7) Uani 1 1 d . . .
N5 N 0.4347(3) 0.2690(3) 0.0750(2) 0.0240(7) Uani 1 1 d . . .
N6 N 0.5286(3) 0.2438(3) -0.0146(2) 0.0261(8) Uani 1 1 d . . .
N7 N 0.4602(3) 0.2003(3) 0.24049(19) 0.0201(7) Uani 1 1 d . . .
N8 N 0.2524(3) 0.2065(2) 0.20238(19) 0.0208(7) Uani 1 1 d . . .
N9 N 0.1997(3) 0.0898(3) 0.2749(2) 0.0216(7) Uani 1 1 d . . .
C1 C 0.2281(4) 0.4598(3) 0.1303(3) 0.0290(10) Uani 1 1 d . . .
C2 C 0.2298(3) 0.4851(3) 0.2191(3) 0.0258(9) Uani 1 1 d . . .
C3 C 0.1703(4) 0.5456(4) 0.2478(3) 0.0336(10) Uani 1 1 d . . .
H3 H 0.1291 0.5765 0.2127 0.040 Uiso 1 1 calc R . .
C4 C 0.1727(4) 0.5593(4) 0.3283(3) 0.0359(11) Uani 1 1 d . . .
H4 H 0.1343 0.6015 0.3495 0.043 Uiso 1 1 calc R . .
C5 C 0.2317(4) 0.5112(3) 0.3790(3) 0.0286(9) Uani 1 1 d . . .
H5 H 0.2321 0.5178 0.4340 0.034 Uiso 1 1 calc R . .
C6 C 0.2895(3) 0.4533(3) 0.3456(2) 0.0205(8) Uani 1 1 d . . .
C7 C 0.3612(3) 0.4031(3) 0.3919(2) 0.0181(8) Uani 1 1 d . . .
C8 C 0.4408(3) 0.3368(3) 0.4882(2) 0.0195(8) Uani 1 1 d . . .
C9 C 0.4707(3) 0.2945(3) 0.5546(2) 0.0237(8) Uani 1 1 d . . .
H9 H 0.4343 0.2932 0.5953 0.028 Uiso 1 1 calc R . .
C10 C 0.5560(4) 0.2549(4) 0.5575(3) 0.0311(10) Uani 1 1 d . . .
H10 H 0.5781 0.2238 0.6008 0.037 Uiso 1 1 calc R . .
C11 C 0.6112(4) 0.2592(4) 0.4980(3) 0.0305(10) Uani 1 1 d . . .
H11 H 0.6703 0.2319 0.5026 0.037 Uiso 1 1 calc R . .
C12 C 0.5815(4) 0.3025(3) 0.4327(2) 0.0248(9) Uani 1 1 d . . .
H12 H 0.6205 0.3068 0.3936 0.030 Uiso 1 1 calc R . .
C13 C 0.4926(3) 0.3393(3) 0.4264(2) 0.0197(8) Uani 1 1 d . . .
C14 C 0.2698(3) 0.3692(3) 0.5023(2) 0.0202(8) Uani 1 1 d . . .
C15 C 0.1682(3) 0.2995(3) 0.4602(3) 0.0250(9) Uani 1 1 d . . .
H15 H 0.1545 0.2612 0.4064 0.030 Uiso 1 1 calc R . .
C16 C 0.0874(4) 0.2872(4) 0.4988(3) 0.0304(10) Uani 1 1 d . . .
H16 H 0.0175 0.2402 0.4712 0.037 Uiso 1 1 calc R . .
C17 C 0.1084(4) 0.3437(4) 0.5780(3) 0.0314(10) Uani 1 1 d . . .
H17 H 0.0527 0.3348 0.6040 0.038 Uiso 1 1 calc R . .
C18 C 0.2106(4) 0.4128(4) 0.6190(3) 0.0290(9) Uani 1 1 d . . .
H18 H 0.2243 0.4509 0.6729 0.035 Uiso 1 1 calc R . .
C19 C 0.2922(3) 0.4263(3) 0.5816(2) 0.0219(8) Uani 1 1 d . . .
H19 H 0.3620 0.4733 0.6093 0.026 Uiso 1 1 calc R . .
C20 C 0.5578(4) 0.6202(3) 0.2396(2) 0.0239(9) Uani 1 1 d . . .
C21 C 0.5840(4) 0.5775(3) 0.1627(2) 0.0240(9) Uani 1 1 d . . .
C22 C 0.6509(4) 0.6402(3) 0.1272(2) 0.0261(9) Uani 1 1 d . . .
H22 H 0.6801 0.7136 0.1488 0.031 Uiso 1 1 calc R . .
C23 C 0.6742(4) 0.5933(3) 0.0595(3) 0.0270(9) Uani 1 1 d . . .
H23 H 0.7187 0.6344 0.0337 0.032 Uiso 1 1 calc R . .
C24 C 0.6314(4) 0.4851(3) 0.0296(2) 0.0241(9) Uani 1 1 d . . .
H24 H 0.6464 0.4515 -0.0166 0.029 Uiso 1 1 calc R . .
C25 C 0.5663(4) 0.4273(3) 0.0689(2) 0.0237(9) Uani 1 1 d . . .
C26 C 0.5126(4) 0.3136(3) 0.0445(2) 0.0239(9) Uani 1 1 d . . .
C27 C 0.4529(4) 0.1473(3) -0.0235(2) 0.0261(9) Uani 1 1 d . . .
C28 C 0.4317(4) 0.0496(3) -0.0750(3) 0.0313(10) Uani 1 1 d . . .
H28 H 0.4726 0.0392 -0.1117 0.038 Uiso 1 1 calc R . .
C29 C 0.3474(4) -0.0313(3) -0.0696(3) 0.0356(11) Uani 1 1 d . . .
H29 H 0.3294 -0.0987 -0.1040 0.043 Uiso 1 1 calc R . .
C30 C 0.2884(4) -0.0157(3) -0.0145(3) 0.0345(11) Uani 1 1 d . . .
H30 H 0.2310 -0.0728 -0.0131 0.041 Uiso 1 1 calc R . .
C31 C 0.3113(4) 0.0807(3) 0.0382(3) 0.0299(10) Uani 1 1 d . . .
H31 H 0.2721 0.0898 0.0763 0.036 Uiso 1 1 calc R . .
C32 C 0.3949(4) 0.1644(3) 0.0327(2) 0.0272(9) Uani 1 1 d . . .
C33 C 0.6171(4) 0.2548(3) -0.0509(3) 0.0291(10) Uani 1 1 d . . .
C34 C 0.7184(4) 0.2697(4) -0.0028(3) 0.0344(11) Uani 1 1 d . . .
H34 H 0.7316 0.2766 0.0540 0.041 Uiso 1 1 calc R . .
C35 C 0.8027(5) 0.2746(4) -0.0389(3) 0.0425(12) Uani 1 1 d . . .
H35 H 0.8740 0.2864 -0.0066 0.051 Uiso 1 1 calc R . .
C36 C 0.7808(5) 0.2621(4) -0.1224(3) 0.0432(14) Uani 1 1 d . . .
H36 H 0.8374 0.2639 -0.1470 0.052 Uiso 1 1 calc R . .
C37 C 0.6783(5) 0.2471(4) -0.1695(3) 0.0422(13) Uani 1 1 d . . .
H37 H 0.6651 0.2396 -0.2263 0.051 Uiso 1 1 calc R . .
C38 C 0.5925(5) 0.2427(3) -0.1350(3) 0.0348(11) Uani 1 1 d . . .
H38 H 0.5213 0.2321 -0.1671 0.042 Uiso 1 1 calc R . .
C39 C 0.6364(3) 0.2876(3) 0.2302(2) 0.0232(8) Uani 1 1 d . . .
C40 C 0.5576(3) 0.1915(3) 0.2425(2) 0.0208(8) Uani 1 1 d . . .
C41 C 0.5873(3) 0.1049(3) 0.2592(2) 0.0235(8) Uani 1 1 d . . .
H41 H 0.6572 0.1005 0.2601 0.028 Uiso 1 1 calc R . .
C42 C 0.5117(4) 0.0249(3) 0.2745(3) 0.0267(9) Uani 1 1 d . . .
H42 H 0.5302 -0.0345 0.2875 0.032 Uiso 1 1 calc R . .
C43 C 0.4095(4) 0.0317(3) 0.2708(2) 0.0252(9) Uani 1 1 d . . .
H43 H 0.3566 -0.0235 0.2797 0.030 Uiso 1 1 calc R . .
C44 C 0.3856(3) 0.1221(3) 0.2537(2) 0.0210(8) Uani 1 1 d . . .
C45 C 0.2805(3) 0.1405(3) 0.2448(2) 0.0208(8) Uani 1 1 d . . .
C46 C 0.1119(3) 0.1254(3) 0.2471(2) 0.0219(8) Uani 1 1 d . . .
C47 C 0.0100(4) 0.1010(3) 0.2595(3) 0.0277(9) Uani 1 1 d . . .
H47 H -0.0103 0.0540 0.2920 0.033 Uiso 1 1 calc R . .
C48 C -0.0595(4) 0.1490(4) 0.2217(3) 0.0336(10) Uani 1 1 d . . .
H48 H -0.1299 0.1349 0.2284 0.040 Uiso 1 1 calc R . .
C49 C -0.0295(4) 0.2188(4) 0.1731(3) 0.0315(10) Uani 1 1 d . . .
H49 H -0.0801 0.2495 0.1474 0.038 Uiso 1 1 calc R . .
C50 C 0.0726(4) 0.2430(3) 0.1625(3) 0.0273(9) Uani 1 1 d . . .
H50 H 0.0928 0.2898 0.1298 0.033 Uiso 1 1 calc R . .
C51 C 0.1457(3) 0.1964(3) 0.2015(2) 0.0226(8) Uani 1 1 d . . .
C52 C 0.2041(3) 0.0243(3) 0.3320(2) 0.0228(8) Uani 1 1 d . . .
C53 C 0.2754(4) 0.0647(4) 0.4090(3) 0.0319(10) Uani 1 1 d . . .
H53 H 0.3240 0.1337 0.4230 0.038 Uiso 1 1 calc R . .
C54 C 0.2754(5) 0.0029(4) 0.4658(3) 0.0410(12) Uani 1 1 d . . .
H54 H 0.3243 0.0298 0.5185 0.049 Uiso 1 1 calc R . .
C55 C 0.2037(5) -0.0978(4) 0.4451(3) 0.0438(14) Uani 1 1 d . . .
H55 H 0.2022 -0.1393 0.4840 0.053 Uiso 1 1 calc R . .
C56 C 0.1347(4) -0.1372(4) 0.3677(4) 0.0416(12) Uani 1 1 d . . .
H56 H 0.0869 -0.2066 0.3534 0.050 Uiso 1 1 calc R . .
C57 C 0.1342(4) -0.0767(4) 0.3102(3) 0.0321(10) Uani 1 1 d . . .
H57 H 0.0866 -0.1044 0.2571 0.038 Uiso 1 1 calc R . .
C58 C -0.0968(7) -0.1760(8) 0.0531(6) 0.111(4) Uani 1 1 d . . .
H58A H -0.0930 -0.2428 0.0658 0.166 Uiso 1 1 calc R . .
H58B H -0.1312 -0.1875 -0.0049 0.166 Uiso 1 1 calc R . .
H58C H -0.1391 -0.1468 0.0841 0.166 Uiso 1 1 calc R . .
C59 C 0.0127(5) -0.1027(5) 0.0744(3) 0.0480(14) Uani 1 1 d . . .
N10 N 0.0970(5) -0.0505(4) 0.0913(4) 0.0666(16) Uani 1 1 d . . .
C60 C 0.0722(5) 0.6099(5) 0.6385(3) 0.0500(14) Uani 1 1 d . . .
H60A H 0.0130 0.6399 0.6379 0.075 Uiso 1 1 calc R . .
H60B H 0.1316 0.6461 0.6876 0.075 Uiso 1 1 calc R . .
H60C H 0.0468 0.5353 0.6378 0.075 Uiso 1 1 calc R . .
C61 C 0.1097(4) 0.6223(4) 0.5678(3) 0.0428(13) Uani 1 1 d . . .
N11 N 0.1368(4) 0.6316(5) 0.5113(3) 0.0588(14) Uani 1 1 d . . .
C62 C 0.8306(5) -0.1297(5) 0.3668(5) 0.071(2) Uani 1 1 d . . .
H62A H 0.8492 -0.1316 0.4241 0.107 Uiso 1 1 calc R . .
H62B H 0.8881 -0.1411 0.3439 0.107 Uiso 1 1 calc R . .
H62C H 0.7628 -0.1847 0.3376 0.107 Uiso 1 1 calc R . .
C63 C 0.8183(5) -0.0278(6) 0.3593(4) 0.0531(16) Uani 1 1 d . . .
N12 N 0.8108(5) 0.0528(6) 0.3556(4) 0.078(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Eu1 O1 87.05(10) . . ?
O3 Eu1 O5 84.29(10) . . ?
O1 Eu1 O5 143.38(10) . . ?
O3 Eu1 N4 64.71(10) . . ?
O1 Eu1 N4 77.83(11) . . ?
O5 Eu1 N4 66.29(10) . . ?
O3 Eu1 N1 70.41(10) . . ?
O1 Eu1 N1 64.46(10) . . ?
O5 Eu1 N1 142.40(10) . . ?
N4 Eu1 N1 121.77(10) . . ?
O3 Eu1 N5 127.19(10) . . ?
O1 Eu1 N5 78.07(11) . . ?
O5 Eu1 N5 79.17(11) . . ?
N4 Eu1 N5 62.68(10) . . ?
N1 Eu1 N5 138.34(11) . . ?
O3 Eu1 N7 137.77(10) . . ?
O1 Eu1 N7 135.12(10) . . ?
O5 Eu1 N7 63.21(10) . . ?
N4 Eu1 N7 118.13(11) . . ?
N1 Eu1 N7 119.96(10) . . ?
N5 Eu1 N7 74.73(10) . . ?
O3 Eu1 N2 78.60(9) . . ?
O1 Eu1 N2 127.38(10) . . ?
O5 Eu1 N2 85.50(10) . . ?
N4 Eu1 N2 134.84(10) . . ?
N1 Eu1 N2 63.01(10) . . ?
N5 Eu1 N2 147.68(10) . . ?
N7 Eu1 N2 72.97(10) . . ?
O3 Eu1 N8 140.57(10) . . ?
O1 Eu1 N8 82.47(10) . . ?
O5 Eu1 N8 124.73(10) . . ?
N4 Eu1 N8 146.97(10) . . ?
N1 Eu1 N8 70.76(10) . . ?
N5 Eu1 N8 87.55(10) . . ?
N7 Eu1 N8 61.54(10) . . ?
N2 Eu1 N8 78.06(10) . . ?
C1 O1 Eu1 126.6(3) . . ?
C20 O3 Eu1 127.9(2) . . ?
C39 O5 Eu1 121.4(3) . . ?
C2 N1 C6 118.6(4) . . ?
C2 N1 Eu1 116.6(3) . . ?
C6 N1 Eu1 123.6(3) . . ?
C7 N2 C13 105.1(3) . . ?
C7 N2 Eu1 116.2(2) . . ?
C13 N2 Eu1 135.8(2) . . ?
C7 N3 C8 106.3(3) . . ?
C7 N3 C14 129.3(3) . . ?
C8 N3 C14 122.7(3) . . ?
C21 N4 C25 119.2(4) . . ?
C21 N4 Eu1 117.2(3) . . ?
C25 N4 Eu1 123.4(3) . . ?
C26 N5 C32 105.5(3) . . ?
C26 N5 Eu1 117.3(3) . . ?
C32 N5 Eu1 134.9(3) . . ?
C26 N6 C27 106.3(3) . . ?
C26 N6 C33 129.9(4) . . ?
C27 N6 C33 122.6(3) . . ?
C40 N7 C44 119.8(3) . . ?
C40 N7 Eu1 116.6(3) . . ?
C44 N7 Eu1 123.6(3) . . ?
C45 N8 C51 105.2(3) . . ?
C45 N8 Eu1 112.1(3) . . ?
C51 N8 Eu1 134.0(2) . . ?
C45 N9 C46 106.0(3) . . ?
C45 N9 C52 129.3(4) . . ?
C46 N9 C52 124.2(3) . . ?
O2 C1 O1 126.3(4) . . ?
O2 C1 C2 118.4(4) . . ?
O1 C1 C2 115.2(4) . . ?
N1 C2 C3 122.4(4) . . ?
N1 C2 C1 114.8(4) . . ?
C3 C2 C1 122.8(4) . . ?
C4 C3 C2 118.3(4) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C3 C4 C5 120.3(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 117.5(4) . . ?
C6 C5 H5 121.3 . . ?
C4 C5 H5 121.3 . . ?
N1 C6 C5 122.8(4) . . ?
N1 C6 C7 112.8(3) . . ?
C5 C6 C7 124.3(4) . . ?
N2 C7 N3 113.3(3) . . ?
N2 C7 C6 121.4(3) . . ?
N3 C7 C6 125.3(3) . . ?
C9 C8 N3 131.2(4) . . ?
C9 C8 C13 123.3(4) . . ?
N3 C8 C13 105.4(3) . . ?
C10 C9 C8 116.2(4) . . ?
C10 C9 H9 121.9 . . ?
C8 C9 H9 121.9 . . ?
C9 C10 C11 121.6(4) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C12 C11 C10 121.7(4) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C13 117.8(4) . . ?
C11 C12 H12 121.1 . . ?
C13 C12 H12 121.1 . . ?
C12 C13 N2 131.0(4) . . ?
C12 C13 C8 119.2(4) . . ?
N2 C13 C8 109.9(3) . . ?
C15 C14 C19 121.9(4) . . ?
C15 C14 N3 119.0(3) . . ?
C19 C14 N3 118.9(4) . . ?
C16 C15 C14 118.4(4) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C15 C16 C17 120.3(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 120.3(4) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C19 C18 C17 120.2(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C14 118.7(4) . . ?
C18 C19 H19 120.7 . . ?
C14 C19 H19 120.7 . . ?
O4 C20 O3 126.4(4) . . ?
O4 C20 C21 118.3(4) . . ?
O3 C20 C21 115.3(3) . . ?
N4 C21 C22 122.1(4) . . ?
N4 C21 C20 114.8(3) . . ?
C22 C21 C20 123.0(4) . . ?
C23 C22 C21 118.7(4) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C22 C23 C24 119.4(4) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 118.7(4) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
N4 C25 C24 121.8(4) . . ?
N4 C25 C26 112.3(3) . . ?
C24 C25 C26 125.8(4) . . ?
N5 C26 N6 112.8(4) . . ?
N5 C26 C25 121.0(4) . . ?
N6 C26 C25 126.1(4) . . ?
N6 C27 C28 131.1(4) . . ?
N6 C27 C32 105.9(3) . . ?
C28 C27 C32 123.0(4) . . ?
C29 C28 C27 116.4(4) . . ?
C29 C28 H28 121.8 . . ?
C27 C28 H28 121.8 . . ?
C28 C29 C30 121.5(4) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C31 C30 C29 122.1(4) . . ?
C31 C30 H30 118.9 . . ?
C29 C30 H30 118.9 . . ?
C30 C31 C32 117.4(4) . . ?
C30 C31 H31 121.3 . . ?
C32 C31 H31 121.3 . . ?
N5 C32 C31 130.9(4) . . ?
N5 C32 C27 109.5(4) . . ?
C31 C32 C27 119.6(4) . . ?
C34 C33 C38 123.2(5) . . ?
C34 C33 N6 118.9(4) . . ?
C38 C33 N6 117.7(5) . . ?
C33 C34 C35 118.6(5) . . ?
C33 C34 H34 120.7 . . ?
C35 C34 H34 120.7 . . ?
C36 C35 C34 119.6(6) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C37 C36 C35 120.7(5) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C36 C37 C38 121.0(5) . . ?
C36 C37 H37 119.5 . . ?
C38 C37 H37 119.5 . . ?
C33 C38 C37 116.8(5) . . ?
C33 C38 H38 121.6 . . ?
C37 C38 H38 121.6 . . ?
O6 C39 O5 127.6(4) . . ?
O6 C39 C40 118.9(4) . . ?
O5 C39 C40 113.5(3) . . ?
N7 C40 C41 122.6(4) . . ?
N7 C40 C39 114.6(3) . . ?
C41 C40 C39 122.7(4) . . ?
C40 C41 C42 118.1(4) . . ?
C40 C41 H41 121.0 . . ?
C42 C41 H41 121.0 . . ?
C43 C42 C41 120.0(4) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 118.6(4) . . ?
C42 C43 H43 120.7 . . ?
C44 C43 H43 120.7 . . ?
N7 C44 C43 121.0(4) . . ?
N7 C44 C45 113.4(3) . . ?
C43 C44 C45 125.6(4) . . ?
N8 C45 N9 112.9(4) . . ?
N8 C45 C44 121.5(4) . . ?
N9 C45 C44 125.5(3) . . ?
C47 C46 C51 123.6(4) . . ?
C47 C46 N9 130.6(4) . . ?
C51 C46 N9 105.7(4) . . ?
C48 C47 C46 116.0(4) . . ?
C48 C47 H47 122.0 . . ?
C46 C47 H47 122.0 . . ?
C47 C48 C49 122.1(4) . . ?
C47 C48 H48 119.0 . . ?
C49 C48 H48 119.0 . . ?
C50 C49 C48 121.0(4) . . ?
C50 C49 H49 119.5 . . ?
C48 C49 H49 119.5 . . ?
C49 C50 C51 118.1(4) . . ?
C49 C50 H50 121.0 . . ?
C51 C50 H50 121.0 . . ?
N8 C51 C46 110.1(4) . . ?
N8 C51 C50 130.7(4) . . ?
C46 C51 C50 119.2(4) . . ?
C57 C52 C53 121.0(4) . . ?
C57 C52 N9 119.4(4) . . ?
C53 C52 N9 119.6(4) . . ?
C52 C53 C54 119.5(5) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 H53 120.3 . . ?
C55 C54 C53 120.0(5) . . ?
C55 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C56 C55 C54 119.5(4) . . ?
C56 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
C55 C56 C57 121.1(5) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C52 C57 C56 118.8(5) . . ?
C52 C57 H57 120.6 . . ?
C56 C57 H57 120.6 . . ?
C59 C58 H58A 109.5 . . ?
C59 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C59 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N10 C59 C58 177.1(8) . . ?
C61 C60 H60A 109.5 . . ?
C61 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C61 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N11 C61 C60 178.5(6) . . ?
C63 C62 H62A 109.5 . . ?
C63 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C63 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N12 C63 C62 178.0(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3 2.345(3) . ?
Eu1 O1 2.374(3) . ?
Eu1 O5 2.422(3) . ?
Eu1 N4 2.563(3) . ?
Eu1 N1 2.571(3) . ?
Eu1 N5 2.594(3) . ?
Eu1 N7 2.597(3) . ?
Eu1 N2 2.661(3) . ?
Eu1 N8 2.745(3) . ?
O1 C1 1.283(6) . ?
O2 C1 1.242(5) . ?
O3 C20 1.266(5) . ?
O4 C20 1.246(5) . ?
O5 C39 1.272(5) . ?
O6 C39 1.246(5) . ?
N1 C2 1.342(5) . ?
N1 C6 1.355(5) . ?
N2 C7 1.327(5) . ?
N2 C13 1.398(5) . ?
N3 C7 1.377(5) . ?
N3 C8 1.401(5) . ?
N3 C14 1.445(5) . ?
N4 C21 1.342(5) . ?
N4 C25 1.355(5) . ?
N5 C26 1.332(5) . ?
N5 C32 1.395(5) . ?
N6 C26 1.379(5) . ?
N6 C27 1.396(5) . ?
N6 C33 1.453(6) . ?
N7 C40 1.333(5) . ?
N7 C44 1.348(5) . ?
N8 C45 1.325(5) . ?
N8 C51 1.395(5) . ?
N9 C45 1.383(5) . ?
N9 C46 1.399(5) . ?
N9 C52 1.443(5) . ?
C1 C2 1.527(6) . ?
C2 C3 1.397(6) . ?
C3 C4 1.381(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.402(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.484(5) . ?
C8 C9 1.398(5) . ?
C8 C13 1.411(5) . ?
C9 C10 1.377(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.406(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.394(6) . ?
C12 H12 0.9500 . ?
C14 C15 1.394(6) . ?
C14 C19 1.399(5) . ?
C15 C16 1.389(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.396(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.528(6) . ?
C21 C22 1.396(6) . ?
C22 C23 1.390(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.394(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.471(6) . ?
C27 C28 1.401(6) . ?
C27 C32 1.409(6) . ?
C28 C29 1.392(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.401(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.392(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.409(6) . ?
C31 H31 0.9500 . ?
C33 C34 1.366(7) . ?
C33 C38 1.403(6) . ?
C34 C35 1.406(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.393(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.373(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.407(7) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.533(6) . ?
C40 C41 1.389(6) . ?
C41 C42 1.390(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.382(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.408(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.470(6) . ?
C46 C47 1.394(6) . ?
C46 C51 1.399(6) . ?
C47 C48 1.380(6) . ?
C47 H47 0.9500 . ?
C48 C49 1.414(6) . ?
C48 H48 0.9500 . ?
C49 C50 1.383(6) . ?
C49 H49 0.9500 . ?
C50 C51 1.406(6) . ?
C50 H50 0.9500 . ?
C52 C57 1.383(6) . ?
C52 C53 1.388(6) . ?
C53 C54 1.399(6) . ?
C53 H53 0.9500 . ?
C54 C55 1.390(8) . ?
C54 H54 0.9500 . ?
C55 C56 1.381(8) . ?
C55 H55 0.9500 . ?
C56 C57 1.397(6) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 C59 1.469(10) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 N10 1.110(8) . ?
C60 C61 1.455(8) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 N11 1.139(7) . ?
C62 C63 1.460(9) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 N12 1.137(8) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 Eu1 O1 C1 -60.5(3) . . . . ?
O5 Eu1 O1 C1 -136.9(3) . . . . ?
N4 Eu1 O1 C1 -125.3(3) . . . . ?
N1 Eu1 O1 C1 9.1(3) . . . . ?
N5 Eu1 O1 C1 170.4(3) . . . . ?
N7 Eu1 O1 C1 116.9(3) . . . . ?
N2 Eu1 O1 C1 12.7(4) . . . . ?
N8 Eu1 O1 C1 81.4(3) . . . . ?
O1 Eu1 O3 C20 -75.9(4) . . . . ?
O5 Eu1 O3 C20 68.4(4) . . . . ?
N4 Eu1 O3 C20 2.0(3) . . . . ?
N1 Eu1 O3 C20 -139.8(4) . . . . ?
N5 Eu1 O3 C20 -3.3(4) . . . . ?
N7 Eu1 O3 C20 106.8(4) . . . . ?
N2 Eu1 O3 C20 155.0(4) . . . . ?
N8 Eu1 O3 C20 -150.3(3) . . . . ?
O3 Eu1 O5 C39 -178.5(3) . . . . ?
O1 Eu1 O5 C39 -101.3(3) . . . . ?
N4 Eu1 O5 C39 -113.7(3) . . . . ?
N1 Eu1 O5 C39 134.5(3) . . . . ?
N5 Eu1 O5 C39 -48.9(3) . . . . ?
N7 Eu1 O5 C39 29.3(3) . . . . ?
N2 Eu1 O5 C39 102.5(3) . . . . ?
N8 Eu1 O5 C39 30.4(3) . . . . ?
O3 Eu1 N1 C2 82.9(3) . . . . ?
O1 Eu1 N1 C2 -13.3(3) . . . . ?
O5 Eu1 N1 C2 133.5(3) . . . . ?
N4 Eu1 N1 C2 41.8(3) . . . . ?
N5 Eu1 N1 C2 -41.5(3) . . . . ?
N7 Eu1 N1 C2 -142.5(3) . . . . ?
N2 Eu1 N1 C2 169.8(3) . . . . ?
N8 Eu1 N1 C2 -104.1(3) . . . . ?
O3 Eu1 N1 C6 -84.8(3) . . . . ?
O1 Eu1 N1 C6 179.0(3) . . . . ?
O5 Eu1 N1 C6 -34.2(4) . . . . ?
N4 Eu1 N1 C6 -125.8(3) . . . . ?
N5 Eu1 N1 C6 150.8(3) . . . . ?
N7 Eu1 N1 C6 49.8(3) . . . . ?
N2 Eu1 N1 C6 2.1(3) . . . . ?
N8 Eu1 N1 C6 88.2(3) . . . . ?
O3 Eu1 N2 C7 82.4(3) . . . . ?
O1 Eu1 N2 C7 5.1(3) . . . . ?
O5 Eu1 N2 C7 167.5(3) . . . . ?
N4 Eu1 N2 C7 117.8(3) . . . . ?
N1 Eu1 N2 C7 8.7(2) . . . . ?
N5 Eu1 N2 C7 -131.0(3) . . . . ?
N7 Eu1 N2 C7 -129.2(3) . . . . ?
N8 Eu1 N2 C7 -65.6(3) . . . . ?
O3 Eu1 N2 C13 -120.5(4) . . . . ?
O1 Eu1 N2 C13 162.3(3) . . . . ?
O5 Eu1 N2 C13 -35.4(3) . . . . ?
N4 Eu1 N2 C13 -85.1(4) . . . . ?
N1 Eu1 N2 C13 165.9(4) . . . . ?
N5 Eu1 N2 C13 26.1(5) . . . . ?
N7 Eu1 N2 C13 28.0(3) . . . . ?
N8 Eu1 N2 C13 91.6(4) . . . . ?
O3 Eu1 N4 C21 -0.9(3) . . . . ?
O1 Eu1 N4 C21 91.6(3) . . . . ?
O5 Eu1 N4 C21 -95.9(3) . . . . ?
N1 Eu1 N4 C21 42.3(3) . . . . ?
N5 Eu1 N4 C21 174.3(3) . . . . ?
N7 Eu1 N4 C21 -133.5(3) . . . . ?
N2 Eu1 N4 C21 -39.8(4) . . . . ?
N8 Eu1 N4 C21 146.3(3) . . . . ?
O3 Eu1 N4 C25 174.0(4) . . . . ?
O1 Eu1 N4 C25 -93.5(3) . . . . ?
O5 Eu1 N4 C25 79.0(3) . . . . ?
N1 Eu1 N4 C25 -142.8(3) . . . . ?
N5 Eu1 N4 C25 -10.8(3) . . . . ?
N7 Eu1 N4 C25 41.5(3) . . . . ?
N2 Eu1 N4 C25 135.1(3) . . . . ?
N8 Eu1 N4 C25 -38.8(4) . . . . ?
O3 Eu1 N5 C26 21.1(4) . . . . ?
O1 Eu1 N5 C26 98.0(3) . . . . ?
O5 Eu1 N5 C26 -53.1(3) . . . . ?
N4 Eu1 N5 C26 15.7(3) . . . . ?
N1 Eu1 N5 C26 123.8(3) . . . . ?
N7 Eu1 N5 C26 -118.1(3) . . . . ?
N2 Eu1 N5 C26 -116.3(3) . . . . ?
N8 Eu1 N5 C26 -179.2(3) . . . . ?
O3 Eu1 N5 C32 -179.2(4) . . . . ?
O1 Eu1 N5 C32 -102.3(4) . . . . ?
O5 Eu1 N5 C32 106.6(4) . . . . ?
N4 Eu1 N5 C32 175.4(4) . . . . ?
N1 Eu1 N5 C32 -76.5(4) . . . . ?
N7 Eu1 N5 C32 41.7(4) . . . . ?
N2 Eu1 N5 C32 43.5(5) . . . . ?
N8 Eu1 N5 C32 -19.5(4) . . . . ?
O3 Eu1 N7 C40 -58.1(3) . . . . ?
O1 Eu1 N7 C40 125.8(3) . . . . ?
O5 Eu1 N7 C40 -14.3(2) . . . . ?
N4 Eu1 N7 C40 24.4(3) . . . . ?
N1 Eu1 N7 C40 -151.5(2) . . . . ?
N5 Eu1 N7 C40 71.1(3) . . . . ?
N2 Eu1 N7 C40 -107.9(3) . . . . ?
N8 Eu1 N7 C40 166.7(3) . . . . ?
O3 Eu1 N7 C44 121.9(3) . . . . ?
O1 Eu1 N7 C44 -54.3(3) . . . . ?
O5 Eu1 N7 C44 165.6(3) . . . . ?
N4 Eu1 N7 C44 -155.7(3) . . . . ?
N1 Eu1 N7 C44 28.5(3) . . . . ?
N5 Eu1 N7 C44 -109.0(3) . . . . ?
N2 Eu1 N7 C44 72.0(3) . . . . ?
N8 Eu1 N7 C44 -13.4(3) . . . . ?
O3 Eu1 N8 C45 -109.6(3) . . . . ?
O1 Eu1 N8 C45 174.5(3) . . . . ?
O5 Eu1 N8 C45 21.2(3) . . . . ?
N4 Eu1 N8 C45 120.9(3) . . . . ?
N1 Eu1 N8 C45 -120.0(3) . . . . ?
N5 Eu1 N8 C45 96.2(3) . . . . ?
N7 Eu1 N8 C45 22.3(2) . . . . ?
N2 Eu1 N8 C45 -54.7(3) . . . . ?
O3 Eu1 N8 C51 32.1(4) . . . . ?
O1 Eu1 N8 C51 -43.8(3) . . . . ?
O5 Eu1 N8 C51 162.9(3) . . . . ?
N4 Eu1 N8 C51 -97.4(4) . . . . ?
N1 Eu1 N8 C51 21.7(3) . . . . ?
N5 Eu1 N8 C51 -122.1(3) . . . . ?
N7 Eu1 N8 C51 163.9(4) . . . . ?
N2 Eu1 N8 C51 87.0(3) . . . . ?
Eu1 O1 C1 O2 178.8(3) . . . . ?
Eu1 O1 C1 C2 -4.2(5) . . . . ?
C6 N1 C2 C3 2.5(6) . . . . ?
Eu1 N1 C2 C3 -165.8(3) . . . . ?
C6 N1 C2 C1 -175.2(3) . . . . ?
Eu1 N1 C2 C1 16.5(4) . . . . ?
O2 C1 C2 N1 168.1(4) . . . . ?
O1 C1 C2 N1 -9.1(5) . . . . ?
O2 C1 C2 C3 -9.5(6) . . . . ?
O1 C1 C2 C3 173.2(4) . . . . ?
N1 C2 C3 C4 -0.9(7) . . . . ?
C1 C2 C3 C4 176.6(4) . . . . ?
C2 C3 C4 C5 -1.5(7) . . . . ?
C3 C4 C5 C6 2.3(7) . . . . ?
C2 N1 C6 C5 -1.7(6) . . . . ?
Eu1 N1 C6 C5 165.8(3) . . . . ?
C2 N1 C6 C7 -178.8(3) . . . . ?
Eu1 N1 C6 C7 -11.3(4) . . . . ?
C4 C5 C6 N1 -0.7(7) . . . . ?
C4 C5 C6 C7 176.1(4) . . . . ?
C13 N2 C7 N3 -0.8(4) . . . . ?
Eu1 N2 C7 N3 162.9(2) . . . . ?
C13 N2 C7 C6 177.3(3) . . . . ?
Eu1 N2 C7 C6 -19.0(5) . . . . ?
C8 N3 C7 N2 0.5(4) . . . . ?
C14 N3 C7 N2 -164.7(4) . . . . ?
C8 N3 C7 C6 -177.4(4) . . . . ?
C14 N3 C7 C6 17.3(6) . . . . ?
N1 C6 C7 N2 20.3(5) . . . . ?
C5 C6 C7 N2 -156.7(4) . . . . ?
N1 C6 C7 N3 -161.9(4) . . . . ?
C5 C6 C7 N3 21.1(6) . . . . ?
C7 N3 C8 C9 -176.6(4) . . . . ?
C14 N3 C8 C9 -10.1(6) . . . . ?
C7 N3 C8 C13 0.0(4) . . . . ?
C14 N3 C8 C13 166.4(3) . . . . ?
N3 C8 C9 C10 176.5(4) . . . . ?
C13 C8 C9 C10 0.5(6) . . . . ?
C8 C9 C10 C11 1.5(7) . . . . ?
C9 C10 C11 C12 -0.9(7) . . . . ?
C10 C11 C12 C13 -1.8(7) . . . . ?
C11 C12 C13 N2 -175.9(4) . . . . ?
C11 C12 C13 C8 3.6(6) . . . . ?
C7 N2 C13 C12 -179.7(4) . . . . ?
Eu1 N2 C13 C12 21.4(7) . . . . ?
C7 N2 C13 C8 0.7(4) . . . . ?
Eu1 N2 C13 C8 -158.1(3) . . . . ?
C9 C8 C13 C12 -3.1(6) . . . . ?
N3 C8 C13 C12 180.0(4) . . . . ?
C9 C8 C13 N2 176.5(4) . . . . ?
N3 C8 C13 N2 -0.4(4) . . . . ?
C7 N3 C14 C15 56.9(6) . . . . ?
C8 N3 C14 C15 -106.3(4) . . . . ?
C7 N3 C14 C19 -126.7(4) . . . . ?
C8 N3 C14 C19 70.2(5) . . . . ?
C19 C14 C15 C16 0.2(6) . . . . ?
N3 C14 C15 C16 176.6(4) . . . . ?
C14 C15 C16 C17 -0.2(6) . . . . ?
C15 C16 C17 C18 0.0(7) . . . . ?
C16 C17 C18 C19 0.1(7) . . . . ?
C17 C18 C19 C14 0.0(6) . . . . ?
C15 C14 C19 C18 -0.1(6) . . . . ?
N3 C14 C19 C18 -176.5(4) . . . . ?
Eu1 O3 C20 O4 178.1(3) . . . . ?
Eu1 O3 C20 C21 -2.6(5) . . . . ?
C25 N4 C21 C22 2.5(6) . . . . ?
Eu1 N4 C21 C22 177.7(3) . . . . ?
C25 N4 C21 C20 -175.0(4) . . . . ?
Eu1 N4 C21 C20 0.2(5) . . . . ?
O4 C20 C21 N4 -179.3(4) . . . . ?
O3 C20 C21 N4 1.4(6) . . . . ?
O4 C20 C21 C22 3.2(7) . . . . ?
O3 C20 C21 C22 -176.1(4) . . . . ?
N4 C21 C22 C23 -0.4(7) . . . . ?
C20 C21 C22 C23 176.9(4) . . . . ?
C21 C22 C23 C24 -0.9(7) . . . . ?
C22 C23 C24 C25 0.1(7) . . . . ?
C21 N4 C25 C24 -3.4(6) . . . . ?
Eu1 N4 C25 C24 -178.2(3) . . . . ?
C21 N4 C25 C26 179.9(4) . . . . ?
Eu1 N4 C25 C26 5.1(5) . . . . ?
C23 C24 C25 N4 2.1(6) . . . . ?
C23 C24 C25 C26 178.3(4) . . . . ?
C32 N5 C26 N6 -1.3(5) . . . . ?
Eu1 N5 C26 N6 163.9(3) . . . . ?
C32 N5 C26 C25 173.8(4) . . . . ?
Eu1 N5 C26 C25 -21.0(5) . . . . ?
C27 N6 C26 N5 1.3(5) . . . . ?
C33 N6 C26 N5 -166.3(4) . . . . ?
C27 N6 C26 C25 -173.5(4) . . . . ?
C33 N6 C26 C25 18.9(7) . . . . ?
N4 C25 C26 N5 10.9(6) . . . . ?
C24 C25 C26 N5 -165.6(4) . . . . ?
N4 C25 C26 N6 -174.7(4) . . . . ?
C24 C25 C26 N6 8.8(7) . . . . ?
C26 N6 C27 C28 179.2(5) . . . . ?
C33 N6 C27 C28 -12.0(7) . . . . ?
C26 N6 C27 C32 -0.6(5) . . . . ?
C33 N6 C27 C32 168.1(4) . . . . ?
N6 C27 C28 C29 -178.5(5) . . . . ?
C32 C27 C28 C29 1.4(7) . . . . ?
C27 C28 C29 C30 -1.0(7) . . . . ?
C28 C29 C30 C31 -0.7(8) . . . . ?
C29 C30 C31 C32 1.8(7) . . . . ?
C26 N5 C32 C31 -178.9(5) . . . . ?
Eu1 N5 C32 C31 19.7(8) . . . . ?
C26 N5 C32 C27 0.9(5) . . . . ?
Eu1 N5 C32 C27 -160.5(3) . . . . ?
C30 C31 C32 N5 178.4(5) . . . . ?
C30 C31 C32 C27 -1.4(7) . . . . ?
N6 C27 C32 N5 -0.1(5) . . . . ?
C28 C27 C32 N5 180.0(4) . . . . ?
N6 C27 C32 C31 179.7(4) . . . . ?
C28 C27 C32 C31 -0.2(7) . . . . ?
C26 N6 C33 C34 62.0(6) . . . . ?
C27 N6 C33 C34 -103.8(5) . . . . ?
C26 N6 C33 C38 -122.0(5) . . . . ?
C27 N6 C33 C38 72.2(5) . . . . ?
C38 C33 C34 C35 0.8(7) . . . . ?
N6 C33 C34 C35 176.6(4) . . . . ?
C33 C34 C35 C36 -1.3(7) . . . . ?
C34 C35 C36 C37 1.3(7) . . . . ?
C35 C36 C37 C38 -0.8(7) . . . . ?
C34 C33 C38 C37 -0.3(6) . . . . ?
N6 C33 C38 C37 -176.1(4) . . . . ?
C36 C37 C38 C33 0.3(7) . . . . ?
Eu1 O5 C39 O6 142.5(4) . . . . ?
Eu1 O5 C39 C40 -39.0(4) . . . . ?
C44 N7 C40 C41 -1.2(6) . . . . ?
Eu1 N7 C40 C41 178.8(3) . . . . ?
C44 N7 C40 C39 -177.5(3) . . . . ?
Eu1 N7 C40 C39 2.5(4) . . . . ?
O6 C39 C40 N7 -159.4(4) . . . . ?
O5 C39 C40 N7 21.9(5) . . . . ?
O6 C39 C40 C41 24.3(6) . . . . ?
O5 C39 C40 C41 -154.4(4) . . . . ?
N7 C40 C41 C42 -0.2(6) . . . . ?
C39 C40 C41 C42 175.8(4) . . . . ?
C40 C41 C42 C43 1.7(6) . . . . ?
C41 C42 C43 C44 -1.8(6) . . . . ?
C40 N7 C44 C43 1.0(6) . . . . ?
Eu1 N7 C44 C43 -178.9(3) . . . . ?
C40 N7 C44 C45 -176.6(3) . . . . ?
Eu1 N7 C44 C45 3.5(4) . . . . ?
C42 C43 C44 N7 0.5(6) . . . . ?
C42 C43 C44 C45 177.8(4) . . . . ?
C51 N8 C45 N9 -2.3(4) . . . . ?
Eu1 N8 C45 N9 150.2(3) . . . . ?
C51 N8 C45 C44 174.9(3) . . . . ?
Eu1 N8 C45 C44 -32.6(4) . . . . ?
C46 N9 C45 N8 1.5(4) . . . . ?
C52 N9 C45 N8 -170.6(4) . . . . ?
C46 N9 C45 C44 -175.5(4) . . . . ?
C52 N9 C45 C44 12.4(6) . . . . ?
N7 C44 C45 N8 21.5(5) . . . . ?
C43 C44 C45 N8 -156.0(4) . . . . ?
N7 C44 C45 N9 -161.7(4) . . . . ?
C43 C44 C45 N9 20.8(6) . . . . ?
C45 N9 C46 C47 -179.5(4) . . . . ?
C52 N9 C46 C47 -6.9(7) . . . . ?
C45 N9 C46 C51 -0.1(4) . . . . ?
C52 N9 C46 C51 172.6(4) . . . . ?
C51 C46 C47 C48 1.9(6) . . . . ?
N9 C46 C47 C48 -178.8(4) . . . . ?
C46 C47 C48 C49 0.1(7) . . . . ?
C47 C48 C49 C50 -1.0(7) . . . . ?
C48 C49 C50 C51 -0.1(7) . . . . ?
C45 N8 C51 C46 2.2(4) . . . . ?
Eu1 N8 C51 C46 -141.3(3) . . . . ?
C45 N8 C51 C50 -176.5(4) . . . . ?
Eu1 N8 C51 C50 40.1(6) . . . . ?
C47 C46 C51 N8 178.2(4) . . . . ?
N9 C46 C51 N8 -1.3(4) . . . . ?
C47 C46 C51 C50 -3.0(6) . . . . ?
N9 C46 C51 C50 177.5(4) . . . . ?
C49 C50 C51 N8 -179.5(4) . . . . ?
C49 C50 C51 C46 2.0(6) . . . . ?
C45 N9 C52 C57 -123.2(5) . . . . ?
C46 N9 C52 C57 65.9(5) . . . . ?
C45 N9 C52 C53 59.1(6) . . . . ?
C46 N9 C52 C53 -111.7(5) . . . . ?
C57 C52 C53 C54 -1.1(7) . . . . ?
N9 C52 C53 C54 176.5(4) . . . . ?
C52 C53 C54 C55 -0.4(7) . . . . ?
C53 C54 C55 C56 1.6(8) . . . . ?
C54 C55 C56 C57 -1.3(8) . . . . ?
C53 C52 C57 C56 1.4(7) . . . . ?
N9 C52 C57 C56 -176.2(4) . . . . ?
C55 C56 C57 C52 -0.2(7) . . . . ?
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 0.087 0.429 0.829 91 18 ' '
2 -0.087 0.571 0.171 91 18 ' '
3 0.055 0.028 0.440 7 1 ' '
4 0.234 0.085 0.821 9 1 ' '
5 0.500 1.000 0.500 25 2 ' '
6 0.766 0.914 0.178 9 1 ' '
7 0.944 0.972 0.559 7 1 ' '
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139126824
