#------------------------------------------------------------------------------
#$Date: 2019-09-04 10:57:52 +0300 (Wed, 04 Sep 2019) $
#$Revision: 217985 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/36/7233656.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_7233656
loop_
_publ_author_name
'Cheng-Hui Zeng'
'Jing-Ling Wang'
'Yang-Yi Yang'
'Tian-Shu Chu'
'Sheng-Liang Zhong'
'Seik Weng Ng'
'Wing-Tak Wong'
_publ_section_title
;
 Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum
 yields, and two photon luminescence
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2235
_journal_page_last               2242
_journal_paper_doi               10.1039/C3TC32309A
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'Eu (C3 H7 N O) (C13 H10 N O2)3'
_chemical_formula_sum            'C42 H37 Eu N4 O7'
_chemical_formula_weight         861.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                97.319(2)
_cell_angle_beta                 96.124(3)
_cell_angle_gamma                98.362(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2927(3)
_cell_length_b                   13.8088(3)
_cell_length_c                   14.4762(5)
_cell_measurement_reflns_used    9162
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.4194
_cell_measurement_theta_min      3.0965
_cell_volume                     1807.98(10)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24854
_diffrn_reflns_theta_full        76.93
_diffrn_reflns_theta_max         76.93
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    12.901
_exptl_absorpt_correction_T_max  0.5648
_exptl_absorpt_correction_T_min  0.1823
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.469
_refine_diff_density_min         -5.019
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         13031
_refine_ls_number_restraints     318
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0809
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1884P)²+2.5440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2382
_refine_ls_wR_factor_ref         0.2421
_reflns_number_gt                7155
_reflns_number_total             7580
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            1000006.cif
_cod_data_source_block           PCOD1000006
_cod_original_cell_volume        1807.98(9)
_cod_database_code               7233656
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 0.69915(3) 0.45992(2) 0.50664(2) 0.00488(13) Uiso 1 1 d . . .
O1 O 0.9122(5) 0.5525(3) 0.5822(3) 0.0103(8) Uani 1 1 d U . .
O2 O 1.1520(5) 0.6010(3) 0.6047(3) 0.0098(8) Uani 1 1 d U . .
O3 O 0.6016(5) 0.6082(3) 0.5487(3) 0.0130(9) Uani 1 1 d U . .
O4 O 0.4275(5) 0.6985(3) 0.5664(3) 0.0131(9) Uani 1 1 d U . .
O5 O 0.6305(5) 0.5152(3) 0.3657(3) 0.0134(9) Uani 1 1 d U . .
O6 O 0.4158(5) 0.5706(3) 0.3608(3) 0.0134(9) Uani 1 1 d U . .
O7 O 0.8184(6) 0.3425(3) 0.5843(3) 0.0156(9) Uani 1 1 d U . .
N1 N 1.2729(6) 0.6938(4) 0.7746(4) 0.0150(11) Uani 1 1 d U . .
H1 H 1.2733 0.6891 0.7135 0.018 Uiso 1 1 calc R . .
N2 N 0.4911(7) 0.8901(4) 0.6228(4) 0.0170(12) Uani 1 1 d U . .
H2 H 0.4269 0.8415 0.5899 0.020 Uiso 1 1 calc R . .
N3 N 0.3377(6) 0.6659(4) 0.2188(4) 0.0135(11) Uani 1 1 d U . .
H3B H 0.3182 0.6451 0.2718 0.016 Uiso 1 1 calc R . .
N4 N 0.9698(6) 0.2292(4) 0.5707(4) 0.0158(11) Uani 1 1 d U . .
C1 C 1.0319(7) 0.5840(4) 0.6360(4) 0.0101(11) Uani 1 1 d U . .
C2 C 1.0264(7) 0.6005(4) 0.7394(4) 0.0109(11) Uani 1 1 d U . .
C3 C 0.8971(7) 0.5598(5) 0.7721(5) 0.0145(12) Uani 1 1 d U . .
H3A H 0.8166 0.5271 0.7277 0.017 Uiso 1 1 calc R . .
C4 C 0.8833(8) 0.5659(5) 0.8664(5) 0.0185(14) Uani 1 1 d U . .
H4 H 0.7955 0.5369 0.8871 0.022 Uiso 1 1 calc R . .
C5 C 1.0009(8) 0.6153(5) 0.9305(4) 0.0168(13) Uani 1 1 d U . .
H5 H 0.9934 0.6199 0.9958 0.020 Uiso 1 1 calc R . .
C6 C 1.1284(8) 0.6577(5) 0.9009(5) 0.0174(13) Uani 1 1 d U . .
H6 H 1.2069 0.6911 0.9465 0.021 Uiso 1 1 calc R . .
C7 C 1.1452(7) 0.6528(4) 0.8058(4) 0.0113(12) Uani 1 1 d U . .
C8 C 1.4027(7) 0.7424(5) 0.8317(4) 0.0135(12) Uani 1 1 d U . .
C9 C 1.5371(8) 0.7176(5) 0.8101(5) 0.0159(13) Uani 1 1 d U . .
H9 H 1.5389 0.6651 0.7612 0.019 Uiso 1 1 calc R . .
C10 C 1.6672(8) 0.7685(5) 0.8593(5) 0.0214(15) Uani 1 1 d U . .
H10 H 1.7578 0.7524 0.8425 0.026 Uiso 1 1 calc R . .
C11 C 1.6666(9) 0.8427(5) 0.9325(5) 0.0234(15) Uani 1 1 d U . .
H11 H 1.7565 0.8767 0.9668 0.028 Uiso 1 1 calc R . .
C12 C 1.5339(9) 0.8676(5) 0.9560(5) 0.0209(14) Uani 1 1 d U . .
H12 H 1.5334 0.9180 1.0071 0.025 Uiso 1 1 calc R . .
C13 C 1.4023(8) 0.8193(5) 0.9054(5) 0.0164(13) Uani 1 1 d U . .
H13 H 1.3122 0.8381 0.9204 0.020 Uiso 1 1 calc R . .
C14 C 0.5627(7) 0.6915(4) 0.5738(4) 0.0108(11) Uani 1 1 d U . .
C15 C 0.6725(8) 0.7799(4) 0.6144(4) 0.0130(12) Uani 1 1 d U . .
C16 C 0.8176(7) 0.7661(5) 0.6332(5) 0.0157(13) Uani 1 1 d U . .
H16 H 0.8422 0.7023 0.6163 0.019 Uiso 1 1 calc R . .
C17 C 0.9267(8) 0.8421(5) 0.6757(6) 0.0231(15) Uani 1 1 d U . .
H17 H 1.0250 0.8311 0.6885 0.028 Uiso 1 1 calc R . .
C18 C 0.8892(8) 0.9358(5) 0.6997(5) 0.0213(14) Uani 1 1 d U . .
H18 H 0.9627 0.9890 0.7294 0.026 Uiso 1 1 calc R . .
C19 C 0.7462(8) 0.9519(5) 0.6805(5) 0.0181(13) Uani 1 1 d U . .
H19 H 0.7238 1.0165 0.6962 0.022 Uiso 1 1 calc R . .
C20 C 0.6334(8) 0.8750(5) 0.6383(4) 0.0144(12) Uani 1 1 d U . .
C21 C 0.4398(8) 0.9776(5) 0.6557(5) 0.0148(13) Uani 1 1 d U . .
C22 C 0.4776(8) 1.0653(5) 0.6184(5) 0.0181(13) Uani 1 1 d U . .
H22 H 0.5400 1.0669 0.5706 0.022 Uiso 1 1 calc R . .
C23 C 0.4238(9) 1.1497(5) 0.6516(5) 0.0217(15) Uani 1 1 d U . .
H23 H 0.4496 1.2089 0.6260 0.026 Uiso 1 1 calc R . .
C24 C 0.3332(8) 1.1494(5) 0.7215(6) 0.0231(15) Uani 1 1 d U . .
H24 H 0.2987 1.2082 0.7448 0.028 Uiso 1 1 calc R . .
C25 C 0.2937(9) 1.0628(6) 0.7568(6) 0.0238(15) Uani 1 1 d U . .
H25 H 0.2291 1.0616 0.8034 0.029 Uiso 1 1 calc R . .
C26 C 0.3471(8) 0.9766(5) 0.7253(5) 0.0188(14) Uani 1 1 d U . .
H26 H 0.3204 0.9177 0.7512 0.023 Uiso 1 1 calc R . .
C27 C 0.5305(7) 0.5546(4) 0.3249(4) 0.0080(11) Uani 1 1 d U . .
C28 C 0.5487(7) 0.5808(4) 0.2302(4) 0.0102(11) Uani 1 1 d U . .
C29 C 0.6663(7) 0.5497(5) 0.1883(4) 0.0129(12) Uani 1 1 d U . .
H29 H 0.7308 0.5158 0.2226 0.015 Uiso 1 1 calc R . .
C30 C 0.6924(8) 0.5666(5) 0.0986(5) 0.0171(13) Uani 1 1 d U . .
H30 H 0.7739 0.5455 0.0721 0.021 Uiso 1 1 calc R . .
C31 C 0.5956(8) 0.6153(5) 0.0482(5) 0.0177(13) Uani 1 1 d U . .
H31 H 0.6096 0.6258 -0.0140 0.021 Uiso 1 1 calc R . .
C32 C 0.4806(8) 0.6482(5) 0.0878(5) 0.0148(12) Uani 1 1 d U . .
H32 H 0.4174 0.6822 0.0526 0.018 Uiso 1 1 calc R . .
C33 C 0.4532(7) 0.6327(4) 0.1797(4) 0.0097(11) Uani 1 1 d U . .
C34 C 0.2469(7) 0.7299(5) 0.1830(4) 0.0121(12) Uani 1 1 d U . .
C35 C 0.3063(8) 0.8149(5) 0.1474(5) 0.0164(13) Uani 1 1 d U . .
H35 H 0.4091 0.8301 0.1464 0.020 Uiso 1 1 calc R . .
C36 C 0.2135(9) 0.8768(5) 0.1138(5) 0.0185(14) Uani 1 1 d U . .
H36 H 0.2531 0.9336 0.0884 0.022 Uiso 1 1 calc R . .
C37 C 0.0630(9) 0.8562(5) 0.1170(5) 0.0222(15) Uani 1 1 d U . .
H37 H 0.0002 0.8984 0.0936 0.027 Uiso 1 1 calc R . .
C38 C 0.0052(8) 0.7735(5) 0.1548(5) 0.0203(14) Uani 1 1 d U . .
H38 H -0.0970 0.7599 0.1585 0.024 Uiso 1 1 calc R . .
C39 C 0.0973(8) 0.7107(5) 0.1871(5) 0.0178(13) Uani 1 1 d U . .
H39 H 0.0571 0.6540 0.2124 0.021 Uiso 1 1 calc R . .
C40 C 0.8384(8) 0.2559(5) 0.5629(5) 0.0175(13) Uani 1 1 d U . .
H40 H 0.7556 0.2065 0.5399 0.021 Uiso 1 1 calc R . .
C41 C 1.1003(8) 0.3032(5) 0.6024(5) 0.0217(14) Uani 1 1 d U . .
H41A H 1.0796 0.3682 0.5900 0.033 Uiso 1 1 calc R . .
H41B H 1.1810 0.2859 0.5686 0.033 Uiso 1 1 calc R . .
H41C H 1.1278 0.3051 0.6700 0.033 Uiso 1 1 calc R . .
C42 C 0.9877(10) 0.1259(6) 0.5538(6) 0.0294(17) Uani 1 1 d U . .
H42A H 0.8965 0.0865 0.5204 0.044 Uiso 1 1 calc R . .
H42B H 1.0108 0.1025 0.6140 0.044 Uiso 1 1 calc R . .
H42C H 1.0677 0.1191 0.5158 0.044 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 '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
O1 Eu1 O5 110.87(15) . .
O1 Eu1 O6 98.26(16) . 2_666
O5 Eu1 O6 135.16(16) . 2_666
O1 Eu1 O4 147.75(16) . 2_666
O5 Eu1 O4 86.15(16) . 2_666
O6 Eu1 O4 86.55(16) 2_666 2_666
O1 Eu1 O2 85.32(15) . 2_766
O5 Eu1 O2 72.58(15) . 2_766
O6 Eu1 O2 145.39(15) 2_666 2_766
O4 Eu1 O2 73.61(15) 2_666 2_766
O1 Eu1 O3 83.06(16) . .
O5 Eu1 O3 74.29(16) . .
O6 Eu1 O3 76.38(15) 2_666 .
O4 Eu1 O3 128.80(16) 2_666 .
O2 Eu1 O3 138.00(15) 2_766 .
O1 Eu1 O7 76.48(16) . .
O5 Eu1 O7 147.18(16) . .
O6 Eu1 O7 71.16(16) 2_666 .
O4 Eu1 O7 75.02(17) 2_666 .
O2 Eu1 O7 76.38(15) 2_766 .
O3 Eu1 O7 138.24(16) . .
O1 Eu1 O3 161.16(14) . 2_666
O5 Eu1 O3 71.33(14) . 2_666
O6 Eu1 O3 70.58(14) 2_666 2_666
O4 Eu1 O3 49.23(14) 2_666 2_666
O2 Eu1 O3 112.60(14) 2_766 2_666
O3 Eu1 O3 79.60(15) . 2_666
O7 Eu1 O3 112.32(15) . 2_666
C1 O1 Eu1 164.5(4) . .
C1 O2 Eu1 144.4(4) . 2_766
C14 O3 Eu1 174.3(4) . .
C14 O3 Eu1 85.3(4) . 2_666
Eu1 O3 Eu1 100.40(15) . 2_666
C14 O4 Eu1 105.8(4) . 2_666
C27 O5 Eu1 141.7(4) . .
C27 O6 Eu1 139.4(4) . 2_666
C40 O7 Eu1 135.9(5) . .
C7 N1 C8 126.2(5) . .
C7 N1 H1 116.9 . .
C8 N1 H1 116.9 . .
C20 N2 C21 124.8(6) . .
C20 N2 H2 117.6 . .
C21 N2 H2 117.6 . .
C33 N3 C34 126.9(5) . .
C33 N3 H3B 116.6 . .
C34 N3 H3B 116.6 . .
C40 N4 C42 121.4(6) . .
C40 N4 C41 120.2(6) . .
C42 N4 C41 118.3(6) . .
O2 C1 O1 122.0(6) . .
O2 C1 C2 119.9(6) . .
O1 C1 C2 118.1(6) . .
C3 C2 C7 118.9(6) . .
C3 C2 C1 117.4(6) . .
C7 C2 C1 123.7(6) . .
C4 C3 C2 122.2(6) . .
C4 C3 H3A 118.9 . .
C2 C3 H3A 118.9 . .
C3 C4 C5 118.3(6) . .
C3 C4 H4 120.8 . .
C5 C4 H4 120.8 . .
C6 C5 C4 121.1(6) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C7 121.8(6) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
N1 C7 C6 122.7(6) . .
N1 C7 C2 119.6(6) . .
C6 C7 C2 117.7(6) . .
C9 C8 C13 118.8(6) . .
C9 C8 N1 118.7(6) . .
C13 C8 N1 122.3(6) . .
C10 C9 C8 120.6(7) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C11 C10 C9 120.5(7) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C10 C11 C12 119.8(7) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C13 C12 C11 120.5(7) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C8 119.7(7) . .
C12 C13 H13 120.1 . .
C8 C13 H13 120.1 . .
O4 C14 O3 119.5(6) . .
O4 C14 C15 119.2(6) . .
O3 C14 C15 121.3(6) . .
C16 C15 C20 120.0(6) . .
C16 C15 C14 117.3(6) . .
C20 C15 C14 122.6(6) . .
C17 C16 C15 122.0(6) . .
C17 C16 H16 119.0 . .
C15 C16 H16 119.0 . .
C16 C17 C18 118.4(7) . .
C16 C17 H17 120.8 . .
C18 C17 H17 120.8 . .
C19 C18 C17 120.8(7) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C18 C19 C20 121.6(6) . .
C18 C19 H19 119.2 . .
C20 C19 H19 119.2 . .
N2 C20 C19 121.5(6) . .
N2 C20 C15 121.2(6) . .
C19 C20 C15 117.3(6) . .
C26 C21 C22 119.3(6) . .
C26 C21 N2 119.4(6) . .
C22 C21 N2 121.3(6) . .
C23 C22 C21 119.8(7) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C24 C23 C22 121.2(7) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C25 C24 C23 119.0(7) . .
C25 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
C24 C25 C26 121.2(7) . .
C24 C25 H25 119.4 . .
C26 C25 H25 119.4 . .
C21 C26 C25 119.5(6) . .
C21 C26 H26 120.2 . .
C25 C26 H26 120.2 . .
O6 C27 O5 123.1(5) . .
O6 C27 C28 119.0(5) . .
O5 C27 C28 117.9(5) . .
C29 C28 C33 118.9(6) . .
C29 C28 C27 116.9(6) . .
C33 C28 C27 124.2(6) . .
C30 C29 C28 122.6(6) . .
C30 C29 H29 118.7 . .
C28 C29 H29 118.7 . .
C29 C30 C31 118.2(6) . .
C29 C30 H30 120.9 . .
C31 C30 H30 120.9 . .
C32 C31 C30 120.7(6) . .
C32 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C31 C32 C33 121.9(6) . .
C31 C32 H32 119.1 . .
C33 C32 H32 119.1 . .
N3 C33 C32 121.5(6) . .
N3 C33 C28 120.7(5) . .
C32 C33 C28 117.7(6) . .
C39 C34 C35 119.5(6) . .
C39 C34 N3 119.2(6) . .
C35 C34 N3 121.2(6) . .
C36 C35 C34 119.6(7) . .
C36 C35 H35 120.2 . .
C34 C35 H35 120.2 . .
C37 C36 C35 120.6(6) . .
C37 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
C38 C37 C36 119.7(6) . .
C38 C37 H37 120.2 . .
C36 C37 H37 120.2 . .
C37 C38 C39 120.0(7) . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
C34 C39 C38 120.7(7) . .
C34 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
O7 C40 N4 123.0(7) . .
O7 C40 H40 118.5 . .
N4 C40 H40 118.5 . .
N4 C41 H41A 109.5 . .
N4 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N4 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
N4 C42 H42A 109.5 . .
N4 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
N4 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.280(4) .
Eu1 O5 2.327(5) .
Eu1 O6 2.348(5) 2_666
Eu1 O4 2.384(4) 2_666
Eu1 O2 2.385(4) 2_766
Eu1 O3 2.393(4) .
Eu1 O7 2.416(4) .
Eu1 O3 2.811(5) 2_666
O1 C1 1.273(8) .
O2 C1 1.251(8) .
O2 Eu1 2.385(4) 2_766
O3 C14 1.276(8) .
O3 Eu1 2.811(5) 2_666
O4 C14 1.269(8) .
O4 Eu1 2.384(4) 2_666
O5 C27 1.273(8) .
O6 C27 1.270(8) .
O6 Eu1 2.348(4) 2_666
O7 C40 1.243(9) .
N1 C7 1.384(8) .
N1 C8 1.414(8) .
N1 H1 0.8800 .
N2 C20 1.368(9) .
N2 C21 1.409(8) .
N2 H2 0.8800 .
N3 C33 1.375(8) .
N3 C34 1.415(8) .
N3 H3B 0.8800 .
N4 C40 1.324(9) .
N4 C42 1.452(9) .
N4 C41 1.458(9) .
C1 C2 1.492(8) .
C2 C3 1.405(9) .
C2 C7 1.425(9) .
C3 C4 1.378(9) .
C3 H3A 0.9500 .
C4 C5 1.387(10) .
C4 H4 0.9500 .
C5 C6 1.378(10) .
C5 H5 0.9500 .
C6 C7 1.397(9) .
C6 H6 0.9500 .
C8 C9 1.398(10) .
C8 C13 1.407(9) .
C9 C10 1.380(10) .
C9 H9 0.9500 .
C10 C11 1.377(11) .
C10 H10 0.9500 .
C11 C12 1.393(12) .
C11 H11 0.9500 .
C12 C13 1.387(10) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.484(8) .
C15 C16 1.392(9) .
C15 C20 1.424(9) .
C16 C17 1.379(10) .
C16 H16 0.9500 .
C17 C18 1.400(10) .
C17 H17 0.9500 .
C18 C19 1.384(11) .
C18 H18 0.9500 .
C19 C20 1.404(9) .
C19 H19 0.9500 .
C21 C26 1.394(10) .
C21 C22 1.402(9) .
C22 C23 1.385(10) .
C22 H22 0.9500 .
C23 C24 1.383(11) .
C23 H23 0.9500 .
C24 C25 1.376(11) .
C24 H24 0.9500 .
C25 C26 1.397(10) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.483(8) .
C28 C29 1.399(9) .
C28 C33 1.420(8) .
C29 C30 1.388(9) .
C29 H29 0.9500 .
C30 C31 1.399(10) .
C30 H30 0.9500 .
C31 C32 1.372(10) .
C31 H31 0.9500 .
C32 C33 1.416(8) .
C32 H32 0.9500 .
C34 C39 1.387(10) .
C34 C35 1.405(9) .
C35 C36 1.394(9) .
C35 H35 0.9500 .
C36 C37 1.392(11) .
C36 H36 0.9500 .
C37 C38 1.391(11) .
C37 H37 0.9500 .
C38 C39 1.392(10) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O2 0.88 1.99 2.672(7) 133.3 .
N2 H2 O4 0.88 1.96 2.628(7) 131.4 .
N3 H3B O6 0.88 1.97 2.670(7) 135.0 .
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
O5 Eu1 O1 C1 -161.2(15) . . . .
O6 Eu1 O1 C1 53.5(15) 2_666 . . .
O4 Eu1 O1 C1 -43.1(16) 2_666 . . .
O2 Eu1 O1 C1 -91.8(15) 2_766 . . .
O3 Eu1 O1 C1 128.6(15) . . . .
O7 Eu1 O1 C1 -14.7(15) . . . .
O3 Eu1 O1 C1 105.6(15) 2_666 . . .
O1 Eu1 O3 C14 9(4) . . . .
O5 Eu1 O3 C14 -105(4) . . . .
O6 Eu1 O3 C14 109(4) 2_666 . . .
O4 Eu1 O3 C14 -177(4) 2_666 . . .
O2 Eu1 O3 C14 -66(4) 2_766 . . .
O7 Eu1 O3 C14 69(4) . . . .
O3 Eu1 O3 C14 -179(100) 2_666 . . .
O1 Eu1 O3 Eu1 -172.63(16) . . . 2_666
O5 Eu1 O3 Eu1 73.35(16) . . . 2_666
O6 Eu1 O3 Eu1 -72.34(15) 2_666 . . 2_666
O4 Eu1 O3 Eu1 1.7(2) 2_666 . . 2_666
O2 Eu1 O3 Eu1 112.3(2) 2_766 . . 2_666
O7 Eu1 O3 Eu1 -112.0(2) . . . 2_666
O3 Eu1 O3 Eu1 0.0 2_666 . . 2_666
O1 Eu1 O5 C27 -115.0(6) . . . .
O6 Eu1 O5 C27 12.0(8) 2_666 . . .
O4 Eu1 O5 C27 93.2(7) 2_666 . . .
O2 Eu1 O5 C27 167.2(7) 2_766 . . .
O3 Eu1 O5 C27 -39.0(6) . . . .
O7 Eu1 O5 C27 147.6(6) . . . .
O3 Eu1 O5 C27 45.1(6) 2_666 . . .
O1 Eu1 O7 C40 -137.1(7) . . . .
O5 Eu1 O7 C40 -29.4(8) . . . .
O6 Eu1 O7 C40 119.1(7) 2_666 . . .
O4 Eu1 O7 C40 27.7(6) 2_666 . . .
O2 Eu1 O7 C40 -48.7(7) 2_766 . . .
O3 Eu1 O7 C40 160.1(6) . . . .
O3 Eu1 O7 C40 60.5(7) 2_666 . . .
Eu1 O2 C1 O1 -43.1(10) 2_766 . . .
Eu1 O2 C1 C2 136.7(6) 2_766 . . .
Eu1 O1 C1 O2 116.5(14) . . . .
Eu1 O1 C1 C2 -63.3(17) . . . .
O2 C1 C2 C3 -165.9(6) . . . .
O1 C1 C2 C3 13.9(8) . . . .
O2 C1 C2 C7 12.7(9) . . . .
O1 C1 C2 C7 -167.5(6) . . . .
C7 C2 C3 C4 -2.3(10) . . . .
C1 C2 C3 C4 176.4(6) . . . .
C2 C3 C4 C5 1.0(11) . . . .
C3 C4 C5 C6 0.2(11) . . . .
C4 C5 C6 C7 -0.1(11) . . . .
C8 N1 C7 C6 2.0(10) . . . .
C8 N1 C7 C2 -176.0(6) . . . .
C5 C6 C7 N1 -179.2(6) . . . .
C5 C6 C7 C2 -1.1(10) . . . .
C3 C2 C7 N1 -179.6(6) . . . .
C1 C2 C7 N1 1.8(9) . . . .
C3 C2 C7 C6 2.3(9) . . . .
C1 C2 C7 C6 -176.3(6) . . . .
C7 N1 C8 C9 133.2(7) . . . .
C7 N1 C8 C13 -51.1(9) . . . .
C13 C8 C9 C10 -1.0(9) . . . .
N1 C8 C9 C10 174.9(6) . . . .
C8 C9 C10 C11 2.1(10) . . . .
C9 C10 C11 C12 -1.1(10) . . . .
C10 C11 C12 C13 -1.0(10) . . . .
C11 C12 C13 C8 2.1(10) . . . .
C9 C8 C13 C12 -1.2(9) . . . .
N1 C8 C13 C12 -176.8(6) . . . .
Eu1 O4 C14 O3 -3.9(7) 2_666 . . .
Eu1 O4 C14 C15 178.0(4) 2_666 . . .
Eu1 O3 C14 O4 -178(100) . . . .
Eu1 O3 C14 O4 3.2(5) 2_666 . . .
Eu1 O3 C14 C15 0(4) . . . .
Eu1 O3 C14 C15 -178.8(5) 2_666 . . .
O4 C14 C15 C16 171.4(6) . . . .
O3 C14 C15 C16 -6.7(9) . . . .
O4 C14 C15 C20 -5.4(9) . . . .
O3 C14 C15 C20 176.5(6) . . . .
C20 C15 C16 C17 0.6(11) . . . .
C14 C15 C16 C17 -176.3(6) . . . .
C15 C16 C17 C18 -0.5(12) . . . .
C16 C17 C18 C19 -0.5(12) . . . .
C17 C18 C19 C20 1.3(12) . . . .
C21 N2 C20 C19 -7.5(11) . . . .
C21 N2 C20 C15 170.9(6) . . . .
C18 C19 C20 N2 177.3(7) . . . .
C18 C19 C20 C15 -1.2(10) . . . .
C16 C15 C20 N2 -178.3(6) . . . .
C14 C15 C20 N2 -1.6(10) . . . .
C16 C15 C20 C19 0.2(9) . . . .
C14 C15 C20 C19 176.9(6) . . . .
C20 N2 C21 C26 -111.2(8) . . . .
C20 N2 C21 C22 70.1(10) . . . .
C26 C21 C22 C23 0.6(11) . . . .
N2 C21 C22 C23 179.2(7) . . . .
C21 C22 C23 C24 0.2(11) . . . .
C22 C23 C24 C25 -1.5(11) . . . .
C23 C24 C25 C26 2.0(12) . . . .
C22 C21 C26 C25 -0.1(11) . . . .
N2 C21 C26 C25 -178.8(7) . . . .
C24 C25 C26 C21 -1.2(11) . . . .
Eu1 O6 C27 O5 -5.2(10) 2_666 . . .
Eu1 O6 C27 C28 173.5(4) 2_666 . . .
Eu1 O5 C27 O6 -5.1(10) . . . .
Eu1 O5 C27 C28 176.2(4) . . . .
O6 C27 C28 C29 -171.6(5) . . . .
O5 C27 C28 C29 7.1(8) . . . .
O6 C27 C28 C33 7.0(9) . . . .
O5 C27 C28 C33 -174.3(6) . . . .
C33 C28 C29 C30 -0.9(10) . . . .
C27 C28 C29 C30 177.8(6) . . . .
C28 C29 C30 C31 -0.9(10) . . . .
C29 C30 C31 C32 1.9(10) . . . .
C30 C31 C32 C33 -1.2(11) . . . .
C34 N3 C33 C32 -10.1(10) . . . .
C34 N3 C33 C28 170.5(6) . . . .
C31 C32 C33 N3 180.0(6) . . . .
C31 C32 C33 C28 -0.6(10) . . . .
C29 C28 C33 N3 -178.9(6) . . . .
C27 C28 C33 N3 2.5(9) . . . .
C29 C28 C33 C32 1.6(9) . . . .
C27 C28 C33 C32 -177.0(6) . . . .
C33 N3 C34 C39 139.0(7) . . . .
C33 N3 C34 C35 -44.1(10) . . . .
C39 C34 C35 C36 -2.3(10) . . . .
N3 C34 C35 C36 -179.2(6) . . . .
C34 C35 C36 C37 1.4(10) . . . .
C35 C36 C37 C38 0.4(11) . . . .
C36 C37 C38 C39 -1.4(11) . . . .
C35 C34 C39 C38 1.3(10) . . . .
N3 C34 C39 C38 178.3(6) . . . .
C37 C38 C39 C34 0.5(11) . . . .
Eu1 O7 C40 N4 125.7(7) . . . .
C42 N4 C40 O7 173.9(7) . . . .
C41 N4 C40 O7 -2.2(10) . . . .
