#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:32:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179850 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/46/7014668.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_7014668
loop_
_publ_author_name
'Kachi-Terajima, Chihiro'
'Yanagi, Katsuya'
'Kaziki, Toru'
'Kitazawa, Takafumi'
'Hasegawa, Miki'
_publ_section_title
;
 Luminescence tuning of imidazole-based lanthanide(iii) complexes [Ln =
 Sm, Eu, Gd, Tb, Dy].
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2249
_journal_page_last               2256
_journal_paper_doi               10.1039/c0dt01046d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C21 H40 Eu N13 O14'
_chemical_formula_weight         850.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.250(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.540(6)
_cell_length_b                   15.354(6)
_cell_length_c                   14.989(6)
_cell_measurement_temperature    100(2)
_cell_volume                     3341(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_sigmaI/netI    0.1194
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16441
_diffrn_reflns_theta_full        28.45
_diffrn_reflns_theta_max         28.45
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.961
_exptl_absorpt_correction_T_max  0.7444
_exptl_absorpt_correction_T_min  0.6196
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.198
_refine_diff_density_min         -2.485
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         8119
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0718
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+17.8611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1755
_refine_ls_wR_factor_ref         0.1889
_reflns_number_gt                6334
_reflns_number_total             8119
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01046D.TXT
_cod_data_source_block           2_EuMe3L
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7014668
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6660(5) 0.1753(5) 0.6265(5) 0.0273(15) Uani 1 1 d . . .
H1A H 0.6910 0.2227 0.5902 0.033 Uiso 1 1 calc R . .
H1B H 0.6441 0.1287 0.5850 0.033 Uiso 1 1 calc R . .
C2 C 0.7439(5) 0.1391(5) 0.6880(5) 0.0278(16) Uani 1 1 d . . .
H2A H 0.7239 0.0844 0.7158 0.033 Uiso 1 1 calc R . .
H2B H 0.7980 0.1261 0.6531 0.033 Uiso 1 1 calc R . .
C3 C 0.8519(5) 0.2229(4) 0.7732(6) 0.0275(16) Uani 1 1 d . . .
H3 H 0.8991 0.1946 0.7429 0.033 Uiso 1 1 calc R . .
C4 C 0.8752(5) 0.2904(4) 0.8393(5) 0.0252(15) Uani 1 1 d . . .
C5 C 0.8594(5) 0.3964(5) 0.9296(5) 0.0256(15) Uani 1 1 d . . .
H5 H 0.8326 0.4377 0.9675 0.031 Uiso 1 1 calc R . .
C6 C 0.9515(5) 0.3906(5) 0.9163(5) 0.0268(15) Uani 1 1 d . . .
H6 H 0.9993 0.4263 0.9422 0.032 Uiso 1 1 calc R . .
C7 C 1.0470(6) 0.2928(6) 0.8218(8) 0.042(2) Uani 1 1 d . . .
H7A H 1.0568 0.2313 0.8368 0.062 Uiso 1 1 calc R . .
H7B H 1.0985 0.3274 0.8478 0.062 Uiso 1 1 calc R . .
H7C H 1.0435 0.2998 0.7567 0.062 Uiso 1 1 calc R . .
C8 C 0.5181(5) 0.1405(5) 0.6925(6) 0.0292(16) Uani 1 1 d . . .
H8A H 0.4984 0.1107 0.6360 0.035 Uiso 1 1 calc R . .
H8B H 0.4629 0.1680 0.7163 0.035 Uiso 1 1 calc R . .
C9 C 0.5561(5) 0.0732(5) 0.7592(5) 0.0256(15) Uani 1 1 d . . .
H9A H 0.5050 0.0383 0.7817 0.031 Uiso 1 1 calc R . .
H9B H 0.5985 0.0333 0.7299 0.031 Uiso 1 1 calc R . .
C10 C 0.6162(5) 0.0793(5) 0.9094(5) 0.0259(15) Uani 1 1 d . . .
H10 H 0.5954 0.0213 0.9170 0.031 Uiso 1 1 calc R . .
C11 C 0.6609(5) 0.1272(4) 0.9819(5) 0.0248(15) Uani 1 1 d . . .
C12 C 0.7252(5) 0.2323(5) 1.0584(6) 0.0292(16) Uani 1 1 d . . .
H12 H 0.7511 0.2874 1.0743 0.035 Uiso 1 1 calc R . .
C13 C 0.7196(5) 0.1631(5) 1.1144(6) 0.0297(16) Uani 1 1 d . . .
H13 H 0.7400 0.1610 1.1757 0.036 Uiso 1 1 calc R . .
C14 C 0.6571(6) 0.0097(5) 1.0975(6) 0.0345(18) Uani 1 1 d . . .
H14A H 0.5902 0.0012 1.0935 0.052 Uiso 1 1 calc R . .
H14B H 0.6804 0.0032 1.1598 0.052 Uiso 1 1 calc R . .
H14C H 0.6861 -0.0339 1.0605 0.052 Uiso 1 1 calc R . .
C15 C 0.5368(6) 0.2766(5) 0.6147(5) 0.0294(16) Uani 1 1 d . . .
H15A H 0.5042 0.2469 0.5635 0.035 Uiso 1 1 calc R . .
H15B H 0.5828 0.3165 0.5906 0.035 Uiso 1 1 calc R . .
C16 C 0.4681(6) 0.3294(5) 0.6641(6) 0.0307(17) Uani 1 1 d . . .
H16A H 0.4431 0.3770 0.6253 0.037 Uiso 1 1 calc R . .
H16B H 0.4163 0.2918 0.6802 0.037 Uiso 1 1 calc R . .
C17 C 0.4899(5) 0.4419(5) 0.7712(5) 0.0274(16) Uani 1 1 d . . .
H17 H 0.4417 0.4738 0.7407 0.033 Uiso 1 1 calc R . .
C18 C 0.5401(5) 0.4762(4) 0.8496(5) 0.0242(15) Uani 1 1 d . . .
C19 C 0.6380(5) 0.4875(4) 0.9623(5) 0.0262(15) Uani 1 1 d . . .
H19 H 0.6871 0.4753 1.0050 0.031 Uiso 1 1 calc R . .
C20 C 0.5852(5) 0.5619(5) 0.9611(5) 0.0269(16) Uani 1 1 d . . .
H20 H 0.5909 0.6095 1.0015 0.032 Uiso 1 1 calc R . .
C21 C 0.4519(6) 0.6172(5) 0.8620(6) 0.0355(19) Uani 1 1 d . . .
H21A H 0.4605 0.6353 0.8004 0.053 Uiso 1 1 calc R . .
H21B H 0.4566 0.6682 0.9014 0.053 Uiso 1 1 calc R . .
H21C H 0.3909 0.5906 0.8655 0.053 Uiso 1 1 calc R . .
H22 H 0.765(8) 0.372(8) 0.694(8) 0.06(3) Uiso 1 1 d . . .
H23 H 0.685(10) 0.420(10) 0.692(10) 0.09(5) Uiso 1 1 d . . .
H24 H 0.503(10) 0.223(9) 0.913(10) 0.08(5) Uiso 1 1 d . . .
H25 H 0.451(7) 0.271(6) 0.875(6) 0.02(2) Uiso 1 1 d . . .
H26 H 0.261(8) 0.646(7) 0.738(8) 0.04(4) Uiso 1 1 d . . .
H27 H 0.316(8) 0.636(8) 0.677(8) 0.05(3) Uiso 1 1 d . . .
H28 H 0.366(7) 0.546(7) 0.563(8) 0.04(3) Uiso 1 1 d . . .
H29 H 0.440(9) 0.574(9) 0.596(9) 0.07(5) Uiso 1 1 d . . .
H30 H 0.299(8) 0.260(8) 0.833(7) 0.05(3) Uiso 1 1 d . . .
H31 H 0.311(7) 0.340(7) 0.830(7) 0.04(3) Uiso 1 1 d . . .
N1 N 0.5857(5) 0.2098(4) 0.6729(4) 0.0262(13) Uani 1 1 d . . .
N2 N 0.7688(5) 0.2024(4) 0.7568(5) 0.0259(13) Uani 1 1 d . . .
N3 N 0.8109(4) 0.3340(4) 0.8807(4) 0.0245(13) Uani 1 1 d . . .
N4 N 0.9610(4) 0.3227(4) 0.8577(5) 0.0273(14) Uani 1 1 d . . .
N5 N 0.6055(4) 0.1187(4) 0.8340(5) 0.0261(14) Uani 1 1 d . . .
N6 N 0.6879(4) 0.2102(4) 0.9753(4) 0.0252(13) Uani 1 1 d . . .
N7 N 0.6789(4) 0.0974(4) 1.0656(4) 0.0255(13) Uani 1 1 d . . .
N8 N 0.5140(4) 0.3659(4) 0.7449(4) 0.0242(13) Uani 1 1 d . . .
N9 N 0.6099(4) 0.4337(4) 0.8938(4) 0.0235(13) Uani 1 1 d . . .
N10 N 0.5234(4) 0.5535(4) 0.8903(5) 0.0253(13) Uani 1 1 d . . .
N11 N 0.8775(5) 0.0476(4) 0.9082(5) 0.0348(16) Uani 1 1 d . . .
N12 N 0.2089(5) 0.4993(4) 0.8534(5) 0.0297(14) Uani 1 1 d . . .
N13 N 0.9094(5) 0.3338(4) 0.5876(5) 0.0275(14) Uani 1 1 d . . .
O1 O 0.7066(4) 0.3782(4) 0.7137(4) 0.0282(12) Uani 1 1 d . . .
O2 O 0.5015(4) 0.2640(4) 0.9048(4) 0.0287(13) Uani 1 1 d . . .
O3 O 0.8199(4) 0.0054(4) 0.9507(5) 0.0445(16) Uani 1 1 d . . .
O4 O 0.8820(4) 0.0353(4) 0.8272(4) 0.0353(13) Uani 1 1 d . . .
O5 O 0.9307(5) 0.1006(4) 0.9492(5) 0.0452(16) Uani 1 1 d . . .
O6 O 0.1701(5) 0.4533(4) 0.9090(5) 0.0438(16) Uani 1 1 d . . .
O7 O 0.1909(5) 0.5790(4) 0.8467(5) 0.0453(16) Uani 1 1 d . . .
O8 O 0.2674(5) 0.4669(4) 0.8058(4) 0.0402(14) Uani 1 1 d . . .
O9 O 0.9705(4) 0.3610(4) 0.5404(4) 0.0420(15) Uani 1 1 d . . .
O10 O 0.8726(5) 0.2620(4) 0.5722(5) 0.0503(19) Uani 1 1 d . . .
O11 O 0.8858(4) 0.3798(3) 0.6523(4) 0.0342(13) Uani 1 1 d . . .
O12 O 0.2805(5) 0.6679(4) 0.7096(6) 0.0379(16) Uani 1 1 d . . .
O13 O 0.3917(6) 0.5659(5) 0.6108(5) 0.0442(16) Uani 1 1 d . . .
O14 O 0.3344(5) 0.2992(5) 0.8378(6) 0.0463(18) Uani 1 1 d . . .
Eu1 Eu 0.64391(2) 0.28469(2) 0.82774(2) 0.02051(13) 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
N1 C1 C2 114.9(6) . . ?
N1 C1 H1A 108.5 . . ?
C2 C1 H1A 108.5 . . ?
N1 C1 H1B 108.5 . . ?
C2 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
N2 C2 C1 109.5(6) . . ?
N2 C2 H2A 109.8 . . ?
C1 C2 H2A 109.8 . . ?
N2 C2 H2B 109.8 . . ?
C1 C2 H2B 109.8 . . ?
H2A C2 H2B 108.2 . . ?
N2 C3 C4 119.6(7) . . ?
N2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
N3 C4 N4 112.5(6) . . ?
N3 C4 C3 122.1(7) . . ?
N4 C4 C3 124.9(7) . . ?
C6 C5 N3 110.7(7) . . ?
C6 C5 H5 124.6 . . ?
N3 C5 H5 124.6 . . ?
C5 C6 N4 106.1(7) . . ?
C5 C6 H6 127.0 . . ?
N4 C6 H6 127.0 . . ?
N4 C7 H7A 109.5 . . ?
N4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C9 113.3(6) . . ?
N1 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
N1 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
N5 C9 C8 108.8(6) . . ?
N5 C9 H9A 109.9 . . ?
C8 C9 H9A 109.9 . . ?
N5 C9 H9B 109.9 . . ?
C8 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
N5 C10 C11 116.8(7) . . ?
N5 C10 H10 121.6 . . ?
C11 C10 H10 121.6 . . ?
N6 C11 N7 110.5(7) . . ?
N6 C11 C10 123.7(7) . . ?
N7 C11 C10 125.8(7) . . ?
C13 C12 N6 109.4(7) . . ?
C13 C12 H12 125.3 . . ?
N6 C12 H12 125.3 . . ?
C12 C13 N7 106.7(7) . . ?
C12 C13 H13 126.7 . . ?
N7 C13 H13 126.7 . . ?
N7 C14 H14A 109.5 . . ?
N7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 C16 112.8(7) . . ?
N1 C15 H15A 109.0 . . ?
C16 C15 H15A 109.0 . . ?
N1 C15 H15B 109.0 . . ?
C16 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
N8 C16 C15 109.2(7) . . ?
N8 C16 H16A 109.8 . . ?
C15 C16 H16A 109.8 . . ?
N8 C16 H16B 109.8 . . ?
C15 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
N8 C17 C18 116.4(7) . . ?
N8 C17 H17 121.8 . . ?
C18 C17 H17 121.8 . . ?
N9 C18 N10 110.5(7) . . ?
N9 C18 C17 123.6(6) . . ?
N10 C18 C17 125.9(7) . . ?
N9 C19 C20 110.5(7) . . ?
N9 C19 H19 124.7 . . ?
C20 C19 H19 124.7 . . ?
N10 C20 C19 106.0(7) . . ?
N10 C20 H20 127.0 . . ?
C19 C20 H20 127.0 . . ?
N10 C21 H21A 109.5 . . ?
N10 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N10 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C8 N1 C1 112.5(6) . . ?
C8 N1 C15 107.8(6) . . ?
C1 N1 C15 109.2(6) . . ?
C8 N1 Eu1 108.4(5) . . ?
C1 N1 Eu1 109.8(5) . . ?
C15 N1 Eu1 109.0(4) . . ?
C3 N2 C2 120.4(7) . . ?
C3 N2 Eu1 120.2(5) . . ?
C2 N2 Eu1 118.9(5) . . ?
C4 N3 C5 104.3(6) . . ?
C4 N3 Eu1 112.1(5) . . ?
C5 N3 Eu1 143.2(5) . . ?
C4 N4 C6 106.4(6) . . ?
C4 N4 C7 127.4(7) . . ?
C6 N4 C7 126.2(7) . . ?
C10 N5 C9 118.4(6) . . ?
C10 N5 Eu1 118.4(5) . . ?
C9 N5 Eu1 122.1(5) . . ?
C11 N6 C12 105.7(6) . . ?
C11 N6 Eu1 115.6(5) . . ?
C12 N6 Eu1 138.3(5) . . ?
C11 N7 C13 107.7(6) . . ?
C11 N7 C14 125.5(7) . . ?
C13 N7 C14 126.8(7) . . ?
C17 N8 C16 118.8(7) . . ?
C17 N8 Eu1 120.4(5) . . ?
C16 N8 Eu1 120.7(5) . . ?
C18 N9 C19 105.2(6) . . ?
C18 N9 Eu1 113.6(5) . . ?
C19 N9 Eu1 141.2(5) . . ?
C20 N10 C18 107.8(6) . . ?
C20 N10 C21 126.0(6) . . ?
C18 N10 C21 126.2(7) . . ?
O4 N11 O5 120.9(7) . . ?
O4 N11 O3 119.5(7) . . ?
O5 N11 O3 119.6(8) . . ?
O8 N12 O6 120.4(7) . . ?
O8 N12 O7 119.3(7) . . ?
O6 N12 O7 120.3(7) . . ?
O9 N13 O10 120.6(7) . . ?
O9 N13 O11 119.0(6) . . ?
O10 N13 O11 120.5(6) . . ?
Eu1 O1 H22 124(7) . . ?
Eu1 O1 H23 129(10) . . ?
H22 O1 H23 107(10) . . ?
Eu1 O2 H24 102(10) . . ?
Eu1 O2 H25 118(6) . . ?
H24 O2 H25 105(10) . . ?
H26 O12 H27 113(10) . . ?
H28 O13 H29 101(10) . . ?
H30 O14 H31 110(10) . . ?
O1 Eu1 O2 139.8(2) . . ?
O1 Eu1 N2 72.0(2) . . ?
O2 Eu1 N2 142.17(19) . . ?
O1 Eu1 N8 70.5(2) . . ?
O2 Eu1 N8 70.6(2) . . ?
N2 Eu1 N8 125.5(2) . . ?
O1 Eu1 N6 141.9(2) . . ?
O2 Eu1 N6 73.0(2) . . ?
N2 Eu1 N6 89.4(2) . . ?
N8 Eu1 N6 142.5(2) . . ?
O1 Eu1 N9 80.38(19) . . ?
O2 Eu1 N9 75.3(2) . . ?
N2 Eu1 N9 141.22(19) . . ?
N8 Eu1 N9 66.0(2) . . ?
N6 Eu1 N9 96.32(19) . . ?
O1 Eu1 N5 133.3(2) . . ?
O2 Eu1 N5 70.64(19) . . ?
N2 Eu1 N5 71.57(19) . . ?
N8 Eu1 N5 110.1(2) . . ?
N6 Eu1 N5 64.7(2) . . ?
N9 Eu1 N5 144.5(2) . . ?
O1 Eu1 N3 70.5(2) . . ?
O2 Eu1 N3 133.4(2) . . ?
N2 Eu1 N3 65.9(2) . . ?
N8 Eu1 N3 131.20(19) . . ?
N6 Eu1 N3 71.5(2) . . ?
N9 Eu1 N3 79.61(19) . . ?
N5 Eu1 N3 117.84(19) . . ?
O1 Eu1 N1 76.08(19) . . ?
O2 Eu1 N1 96.8(2) . . ?
N2 Eu1 N1 67.4(2) . . ?
N8 Eu1 N1 66.24(19) . . ?
N6 Eu1 N1 127.72(19) . . ?
N9 Eu1 N1 131.4(2) . . ?
N5 Eu1 N1 63.6(2) . . ?
N3 Eu1 N1 128.80(19) . . ?
O1 Eu1 H24 151(3) . . ?
O2 Eu1 H24 14(3) . . ?
N2 Eu1 H24 129(3) . . ?
N8 Eu1 H24 81(3) . . ?
N6 Eu1 H24 65(3) . . ?
N9 Eu1 H24 88(3) . . ?
N5 Eu1 H24 57(3) . . ?
N3 Eu1 H24 133(3) . . ?
N1 Eu1 H24 93(3) . . ?
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
C1 N1 1.489(10) . ?
C1 C2 1.524(11) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 N2 1.447(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 N2 1.259(10) . ?
C3 C4 1.460(10) . ?
C3 H3 0.9500 . ?
C4 N3 1.333(9) . ?
C4 N4 1.357(10) . ?
C5 C6 1.369(11) . ?
C5 N3 1.375(9) . ?
C5 H5 0.9500 . ?
C6 N4 1.376(9) . ?
C6 H6 0.9500 . ?
C7 N4 1.462(10) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 N1 1.489(9) . ?
C8 C9 1.520(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 N5 1.473(10) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N5 1.284(10) . ?
C10 C11 1.436(11) . ?
C10 H10 0.9500 . ?
C11 N6 1.338(9) . ?
C11 N7 1.348(10) . ?
C12 C13 1.360(11) . ?
C12 N6 1.372(11) . ?
C12 H12 0.9500 . ?
C13 N7 1.362(10) . ?
C13 H13 0.9500 . ?
C14 N7 1.470(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 N1 1.501(10) . ?
C15 C16 1.512(11) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 N8 1.461(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 N8 1.286(9) . ?
C17 C18 1.448(11) . ?
C17 H17 0.9500 . ?
C18 N9 1.349(10) . ?
C18 N10 1.362(9) . ?
C19 N9 1.362(10) . ?
C19 C20 1.376(10) . ?
C19 H19 0.9500 . ?
C20 N10 1.357(10) . ?
C20 H20 0.9500 . ?
C21 N10 1.473(9) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
N1 Eu1 2.684(7) . ?
N2 Eu1 2.499(6) . ?
N3 Eu1 2.623(6) . ?
N5 Eu1 2.611(6) . ?
N6 Eu1 2.539(7) . ?
N8 Eu1 2.530(6) . ?
N9 Eu1 2.552(6) . ?
N11 O4 1.235(9) . ?
N11 O5 1.259(9) . ?
N11 O3 1.261(9) . ?
N12 O8 1.244(9) . ?
N12 O6 1.250(9) . ?
N12 O7 1.255(8) . ?
N13 O9 1.240(8) . ?
N13 O10 1.240(8) . ?
N13 O11 1.263(8) . ?
O1 Eu1 2.448(6) . ?
O1 H22 0.91(12) . ?
O1 H23 0.78(15) . ?
O2 Eu1 2.448(6) . ?
O2 H24 0.64(14) . ?
O2 H25 0.85(10) . ?
O12 H26 0.62(11) . ?
O12 H27 0.87(12) . ?
O13 H28 0.84(11) . ?
O13 H29 0.77(13) . ?
O14 H30 0.80(12) . ?
O14 H31 0.72(11) . ?
Eu1 H24 2.65(15) . ?
