#------------------------------------------------------------------------------
#$Date: 2023-12-12 17:56:41 +0200 (Tue, 12 Dec 2023) $
#$Revision: 288257 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/40/7234096.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_7234096
loop_
_publ_author_name
'Junqing Zhang'
'Hongfeng Li'
'Peng Chen'
'Wenbin Sun'
'Ting Gao'
'Pengfei Yan'
_publ_section_title
;
 A new strategy for achieving white-light emission of lanthanide
 complexes: effective control of energy transfer from blue-emissive
 fluorophore to Eu(iii) centres
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1799
_journal_page_last               1806
_journal_paper_doi               10.1039/C4TC02512A
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C43 H30 Eu N3 O14'
_chemical_formula_weight         964.66
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 103.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.117(5)
_cell_length_b                   18.276(4)
_cell_length_c                   7.8689(16)
_cell_measurement_reflns_used    6020
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      2.9
_cell_volume                     3649.5(14)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_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      293(2)
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            6142
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.442
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         3533
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0347
_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)+(0.0267P)²+4.0279P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0760
_reflns_number_gt                3013
_reflns_number_total             3533
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-1799.cif
_cod_data_source_block           dd
_cod_original_cell_volume        3649.5(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7234096
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Eu1 Eu 0.0000 0.040199(14) 0.7500 0.04025(11) Uani 1 2 d S . .
O1 O 0.0838(2) 0.3650(4) 1.2127(8) 0.0636(18) Uani 0.50 1 d P . .
O2 O -0.0703(2) 0.3120(3) 0.8329(7) 0.0545(15) Uani 0.50 1 d P . .
O3 O 0.0374(2) 0.2430(3) 0.8022(6) 0.0437(13) Uani 0.50 1 d P . .
O4 O 0.01012(14) 0.14534(14) 0.9395(4) 0.0529(8) Uani 1 1 d . . .
O5 O 0.2244(2) 0.03577(19) 0.7689(6) 0.0992(14) Uani 1 1 d . . .
O6 O 0.11395(13) 0.1944(2) 0.4248(5) 0.0917(13) Uani 1 1 d . . .
O7 O 0.09078(11) 0.07708(16) 0.7427(3) 0.0500(7) Uani 1 1 d . . .
O8 O 0.05299(12) 0.00375(17) 0.5294(4) 0.0539(8) Uani 1 1 d . . .
O9 O 0.0000 -0.0907(2) 0.7500 0.135(3) Uani 1 2 d S . .
H9A H 0.0071 -0.1126 0.6607 0.203 Uiso 0.50 1 d PR B .
N1 N 0.17092(15) 0.1155(2) 0.5892(5) 0.0555(10) Uani 1 1 d . B .
N2 N 0.0053(3) 0.3384(4) 1.0321(8) 0.0340(14) Uani 0.50 1 d P . .
C1 C 0.0710(4) 0.5168(7) 1.1640(14) 0.059(3) Uani 0.50 1 d P . .
H1 H 0.1034 0.5016 1.2413 0.071 Uiso 0.50 1 d PR . .
C2 C 0.0599(6) 0.5908(7) 1.1351(19) 0.062(4) Uani 0.50 1 d P . .
H2 H 0.0850 0.6249 1.1881 0.094 Uiso 0.50 1 calc P . .
C3 C 0.0141(7) 0.6149(8) 1.033(2) 0.078(4) Uani 0.50 1 d P . .
H3 H 0.0077 0.6649 1.0198 0.117 Uiso 0.50 1 calc P . .
C4 C -0.0247(3) 0.5641(4) 0.9450(10) 0.047(3) Uani 0.50 1 d PG . .
C5 C -0.0725(4) 0.5869(3) 0.8390(11) 0.073(4) Uani 0.50 1 d PG . .
H5 H -0.0799 0.6366 0.8236 0.109 Uiso 0.50 1 calc P . .
C6 C -0.1091(3) 0.5354(4) 0.7561(9) 0.071(3) Uani 0.50 1 d PG . .
H6 H -0.1411 0.5507 0.6852 0.106 Uiso 0.50 1 calc P . .
C7 C -0.0981(2) 0.4612(4) 0.7793(8) 0.051(2) Uani 0.50 1 d PG . .
H7 H -0.1226 0.4268 0.7238 0.076 Uiso 0.50 1 calc P . .
C8 C -0.0503(3) 0.4384(3) 0.8852(9) 0.036(3) Uani 0.50 1 d PG . .
C9 C -0.0137(2) 0.4899(4) 0.9681(9) 0.040(3) Uani 0.50 1 d PG . .
C10 C 0.0343(4) 0.4666(5) 1.0822(15) 0.040(3) Uani 0.50 1 d P . .
C11 C 0.0438(4) 0.3867(6) 1.1141(13) 0.042(2) Uani 0.50 1 d P . .
C12 C -0.0409(4) 0.3596(6) 0.9101(12) 0.037(2) Uani 0.50 1 d P . .
C13 C 0.0114(3) 0.2604(4) 1.0722(9) 0.0402(18) Uani 0.50 1 d P . .
H13A H -0.0209 0.2422 1.0971 0.048 Uiso 0.50 1 calc PR A 2
H13B H 0.0394 0.2539 1.1768 0.048 Uiso 0.50 1 calc PR A 2
C14 C 0.0483(5) 0.1790(8) 1.0049(16) 0.083(3) Uani 0.50 1 d P B 1
H14A H 0.0390 0.2182 1.0731 0.124 Uiso 0.50 1 calc P C 1
H14B H 0.0637 0.1988 0.9156 0.124 Uiso 0.50 1 calc P D 1
H14C H 0.0732 0.1473 1.0794 0.124 Uiso 0.50 1 calc P E 1
C29 C 0.0239(3) 0.2156(4) 0.9266(10) 0.0339(16) Uani 0.50 1 d P B 2
C15 C 0.2985(2) 0.1463(3) 0.9075(6) 0.0659(14) Uani 1 1 d . . .
H15A H 0.3077 0.0988 0.9453 0.079 Uiso 1 1 calc R . .
C16 C 0.3321(2) 0.2044(4) 0.9734(6) 0.0736(16) Uani 1 1 d . . .
H16A H 0.3635 0.1952 1.0551 0.088 Uiso 1 1 calc R . .
C17 C 0.3197(2) 0.2730(4) 0.9201(6) 0.0716(15) Uani 1 1 d . . .
H17A H 0.3425 0.3110 0.9657 0.086 Uiso 1 1 calc R . .
C18 C 0.27260(18) 0.2886(3) 0.7964(6) 0.0550(12) Uani 1 1 d . . .
C19 C 0.2579(3) 0.3605(3) 0.7362(7) 0.0720(15) Uani 1 1 d . . .
H19A H 0.2800 0.3995 0.7794 0.086 Uiso 1 1 calc R . .
C20 C 0.2127(3) 0.3730(3) 0.6179(8) 0.0818(17) Uani 1 1 d . . .
H20A H 0.2040 0.4206 0.5798 0.098 Uiso 1 1 calc R . .
C21 C 0.1786(2) 0.3161(3) 0.5516(6) 0.0650(14) Uani 1 1 d . . .
H21A H 0.1471 0.3259 0.4710 0.078 Uiso 1 1 calc R . .
C22 C 0.19131(16) 0.2451(2) 0.6046(5) 0.0445(10) Uani 1 1 d . . .
C23 C 0.23845(15) 0.2307(2) 0.7287(5) 0.0419(10) Uani 1 1 d . . .
C24 C 0.25168(16) 0.1590(2) 0.7867(5) 0.0468(10) Uani 1 1 d . . .
C25 C 0.2162(2) 0.0988(3) 0.7191(6) 0.0598(12) Uani 1 1 d . . .
C26 C 0.15523(18) 0.1859(3) 0.5319(6) 0.0548(12) Uani 1 1 d . . .
C27 C 0.09065(18) 0.0458(2) 0.6022(5) 0.0489(10) Uani 1 1 d . B .
C28 C 0.1360(2) 0.0560(3) 0.5135(7) 0.0777(17) Uani 1 1 d . . .
H28A H 0.1562 0.0110 0.5232 0.093 Uiso 1 1 calc R B .
H28B H 0.1218 0.0657 0.3902 0.093 Uiso 1 1 calc R . .
H4A H -0.0151 0.1781 0.8752 0.117 Uiso 1 1 d R F 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O9 Eu1 O4 142.94(6) . .
O9 Eu1 O4 142.94(6) . 2_556
O4 Eu1 O4 74.13(12) . 2_556
O9 Eu1 O8 70.79(7) . 5_556
O4 Eu1 O8 140.92(11) . 5_556
O4 Eu1 O8 75.46(10) 2_556 5_556
O9 Eu1 O8 70.79(7) . 6_556
O4 Eu1 O8 75.46(10) . 6_556
O4 Eu1 O8 140.92(11) 2_556 6_556
O8 Eu1 O8 141.57(15) 5_556 6_556
O9 Eu1 O7 105.78(7) . 2_556
O4 Eu1 O7 74.59(11) . 2_556
O4 Eu1 O7 80.32(10) 2_556 2_556
O8 Eu1 O7 76.62(9) 5_556 2_556
O8 Eu1 O7 114.23(9) 6_556 2_556
O9 Eu1 O7 105.78(7) . .
O4 Eu1 O7 80.32(10) . .
O4 Eu1 O7 74.59(11) 2_556 .
O8 Eu1 O7 114.23(9) 5_556 .
O8 Eu1 O7 76.62(9) 6_556 .
O7 Eu1 O7 148.44(13) 2_556 .
O9 Eu1 O8 74.86(7) . 2_556
O4 Eu1 O8 77.58(10) . 2_556
O4 Eu1 O8 129.19(10) 2_556 2_556
O8 Eu1 O8 104.11(10) 5_556 2_556
O8 Eu1 O8 65.44(11) 6_556 2_556
O7 Eu1 O8 51.64(9) 2_556 2_556
O7 Eu1 O8 139.69(9) . 2_556
O9 Eu1 O8 74.86(7) . .
O4 Eu1 O8 129.19(10) . .
O4 Eu1 O8 77.58(10) 2_556 .
O8 Eu1 O8 65.44(11) 5_556 .
O8 Eu1 O8 104.11(9) 6_556 .
O7 Eu1 O8 139.69(9) 2_556 .
O7 Eu1 O8 51.64(9) . .
O8 Eu1 O8 149.72(14) 2_556 .
O9 Eu1 C27 92.03(8) . 2_556
O4 Eu1 C27 72.65(11) . 2_556
O4 Eu1 C27 103.99(12) 2_556 2_556
O8 Eu1 C27 91.73(11) 5_556 2_556
O8 Eu1 C27 89.60(12) 6_556 2_556
O7 Eu1 C27 25.51(10) 2_556 2_556
O7 Eu1 C27 152.04(10) . 2_556
O8 Eu1 C27 26.26(10) 2_556 2_556
O8 Eu1 C27 156.25(11) . 2_556
O9 Eu1 C27 92.03(8) . .
O4 Eu1 C27 103.99(12) . .
O4 Eu1 C27 72.65(11) 2_556 .
O8 Eu1 C27 89.60(12) 5_556 .
O8 Eu1 C27 91.73(11) 6_556 .
O7 Eu1 C27 152.04(10) 2_556 .
O7 Eu1 C27 25.51(10) . .
O8 Eu1 C27 156.25(11) 2_556 .
O8 Eu1 C27 26.26(10) . .
C27 Eu1 C27 175.94(17) 2_556 .
O9 Eu1 Eu1 69.522(9) . 5_556
O4 Eu1 Eu1 146.60(6) . 5_556
O4 Eu1 Eu1 73.95(6) 2_556 5_556
O8 Eu1 Eu1 33.53(6) 5_556 5_556
O8 Eu1 Eu1 127.11(7) 6_556 5_556
O7 Eu1 Eu1 109.19(7) 2_556 5_556
O7 Eu1 Eu1 82.04(6) . 5_556
O8 Eu1 Eu1 131.77(7) 2_556 5_556
O8 Eu1 Eu1 31.91(7) . 5_556
C27 Eu1 Eu1 124.99(9) 2_556 5_556
C27 Eu1 Eu1 56.72(9) . 5_556
O9 Eu1 H4A 155.6 . .
O4 Eu1 H4A 19.5 . .
O4 Eu1 H4A 59.3 2_556 .
O8 Eu1 H4A 121.5 5_556 .
O8 Eu1 H4A 94.4 6_556 .
O7 Eu1 H4A 61.7 2_556 .
O7 Eu1 H4A 88.8 . .
O8 Eu1 H4A 81.4 2_556 .
O8 Eu1 H4A 128.7 . .
C27 Eu1 H4A 67.9 2_556 .
C27 Eu1 H4A 108.2 . .
Eu1 Eu1 H4A 133.1 5_556 .
C5 O1 C11 46.6(10) 5_567 .
C12 O2 C2 34.4(8) . 5_567
C14 O4 C29 47.3(6) . .
C14 O4 Eu1 130.0(6) . .
C29 O4 Eu1 135.1(3) . .
C14 O4 H4A 108.3 . .
C29 O4 H4A 61.3 . .
Eu1 O4 H4A 102.4 . .
C27 O7 Eu1 95.4(3) . .
C27 O8 Eu1 144.8(2) . 5_556
C27 O8 Eu1 91.3(2) . .
Eu1 O8 Eu1 114.56(11) 5_556 .
Eu1 O9 H9A 117.6 . .
C26 N1 C25 124.8(4) . .
C26 N1 C28 116.8(4) . .
C25 N1 C28 118.4(4) . .
C3 N2 C11 85.6(11) 5_567 .
C3 N2 C12 38.2(9) 5_567 .
C11 N2 C12 123.8(8) . .
C3 N2 C13 154.8(12) 5_567 .
C11 N2 C13 119.6(7) . .
C12 N2 C13 116.6(7) . .
C3 N2 C4 50.3(10) 5_567 5_567
C11 N2 C4 35.4(6) . 5_567
C12 N2 C4 88.4(7) . 5_567
C13 N2 C4 155.0(6) . 5_567
C7 C1 C8 97.1(19) 5_567 5_567
C7 C1 C10 166(2) 5_567 .
C8 C1 C10 96.4(10) 5_567 .
C7 C1 C2 74.9(18) 5_567 .
C8 C1 C2 22.2(7) 5_567 .
C10 C1 C2 118.6(11) . .
C7 C1 C6 70.8(10) 5_567 5_567
C8 C1 C6 167.6(14) 5_567 5_567
C10 C1 C6 95.6(11) . 5_567
C2 C1 C6 145.7(12) . 5_567
C7 C1 C9 156(2) 5_567 5_567
C8 C1 C9 58.8(6) 5_567 5_567
C10 C1 C9 37.6(7) . 5_567
C2 C1 C9 81.0(8) . 5_567
C6 C1 C9 133.1(13) 5_567 5_567
C7 C1 H1 45.5 5_567 .
C8 C1 H1 142.4 5_567 .
C10 C1 H1 121.2 . .
C2 C1 H1 120.3 . .
C6 C1 H1 25.8 5_567 .
C9 C1 H1 158.7 5_567 .
C3 C2 C1 122.5(13) . .
C3 C2 O2 81.0(11) . 5_567
C1 C2 O2 156.3(13) . 5_567
C3 C2 H2 118.8 . .
C1 C2 H2 118.8 . .
O2 C2 H2 37.9 5_567 .
C2 C3 C4 120.3(12) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C10 C4 C11 119.4(17) 5_567 5_567
C10 C4 C9 39.5(14) 5_567 .
C11 C4 C9 158.5(7) 5_567 .
C10 C4 C5 80.6(13) 5_567 .
C11 C4 C5 40.0(6) 5_567 .
C9 C4 C5 120.0 . .
C10 C4 C3 157.2(19) 5_567 .
C11 C4 C3 82.5(9) 5_567 .
C9 C4 C3 118.0(9) . .
C5 C4 C3 122.0(9) . .
C10 C4 C9 74.2(15) 5_567 5_567
C11 C4 C9 164.5(8) 5_567 5_567
C9 C4 C9 34.8(6) . 5_567
C5 C4 C9 154.7(6) . 5_567
C3 C4 C9 83.3(8) . 5_567
C10 C4 N2 165.4(17) 5_567 5_567
C11 C4 N2 47.7(6) 5_567 5_567
C9 C4 N2 152.1(6) . 5_567
C5 C4 N2 87.5(6) . 5_567
C3 C4 N2 34.8(6) . 5_567
C9 C4 N2 117.7(5) 5_567 5_567
C4 C5 C6 120.0 . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C7 C6 C5 120.0 . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C8 120.0 . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C2 C8 C1 118(2) 5_567 5_567
C2 C8 C7 81(2) 5_567 .
C1 C8 C7 37.0(6) 5_567 .
C2 C8 C9 159(2) 5_567 .
C1 C8 C9 83.0(6) 5_567 .
C7 C8 C9 120.0 . .
C2 C8 C3 72.2(19) 5_567 5_567
C1 C8 C3 169.5(10) 5_567 5_567
C7 C8 C3 153.5(8) . 5_567
C9 C8 C3 86.6(8) . 5_567
C2 C8 C12 37.0(19) 5_567 .
C1 C8 C12 155.3(8) 5_567 .
C7 C8 C12 118.2(6) . .
C9 C8 C12 121.8(6) . .
C3 C8 C12 35.2(6) 5_567 .
C2 C8 C10 168(2) 5_567 5_567
C1 C8 C10 49.7(7) 5_567 5_567
C7 C8 C10 86.7(5) . 5_567
C9 C8 C10 33.3(5) . 5_567
C3 C8 C10 119.9(9) 5_567 5_567
C12 C8 C10 155.1(7) . 5_567
C9 C9 C10 100.9(13) 5_567 5_567
C9 C9 C4 76.9(14) 5_567 .
C10 C9 C4 24.0(6) 5_567 .
C9 C9 C8 163.0(14) 5_567 .
C10 C9 C8 96.1(6) 5_567 .
C4 C9 C8 120.0 . .
C9 C9 C10 43.0(9) 5_567 .
C10 C9 C10 143.9(7) 5_567 .
C4 C9 C10 120.0(7) . .
C8 C9 C10 120.0(7) . .
C9 C9 C4 68.3(11) 5_567 5_567
C10 C9 C4 169.0(8) 5_567 5_567
C4 C9 C4 145.2(5) . 5_567
C8 C9 C4 94.7(5) . 5_567
C10 C9 C4 25.3(4) . 5_567
C9 C9 C1 158.7(15) 5_567 5_567
C10 C9 C1 57.9(8) 5_567 5_567
C4 C9 C1 81.8(5) . 5_567
C8 C9 C1 38.2(5) . 5_567
C10 C9 C1 158.2(9) . 5_567
C4 C9 C1 133.0(7) 5_567 5_567
C4 C10 C9 116.5(19) 5_567 5_567
C4 C10 C1 158(2) 5_567 .
C9 C10 C1 84.5(8) 5_567 .
C4 C10 C9 80.5(17) 5_567 .
C9 C10 C9 36.1(8) 5_567 .
C1 C10 C9 120.6(10) . .
C4 C10 C5 73.6(17) 5_567 5_567
C9 C10 C5 169.0(12) 5_567 5_567
C1 C10 C5 85.1(10) . 5_567
C9 C10 C5 153.9(7) . 5_567
C4 C10 C11 39.0(12) 5_567 .
C9 C10 C11 155.1(10) 5_567 .
C1 C10 C11 120.3(11) . .
C9 C10 C11 119.0(9) . .
C5 C10 C11 35.5(8) 5_567 .
C4 C10 C8 166(2) 5_567 5_567
C9 C10 C8 50.6(5) 5_567 5_567
C1 C10 C8 33.9(7) . 5_567
C9 C10 C8 86.7(7) . 5_567
C5 C10 C8 119.0(7) 5_567 5_567
C11 C10 C8 154.2(10) . 5_567
C5 C11 C4 89.1(11) 5_567 5_567
C5 C11 O1 53.2(9) 5_567 .
C4 C11 O1 142.1(10) 5_567 .
C5 C11 N2 170.4(15) 5_567 .
C4 C11 N2 96.9(8) 5_567 .
O1 C11 N2 120.9(10) . .
C5 C11 C10 68.3(13) 5_567 .
C4 C11 C10 21.6(6) 5_567 .
O1 C11 C10 120.8(10) . .
N2 C11 C10 118.3(8) . .
C5 C11 C3 145.8(14) 5_567 5_567
C4 C11 C3 57.8(7) 5_567 5_567
O1 C11 C3 159.9(10) . 5_567
N2 C11 C3 39.2(5) . 5_567
C10 C11 C3 79.3(7) . 5_567
C3 C12 C2 88.3(16) 5_567 5_567
C3 C12 O2 165.9(18) 5_567 .
C2 C12 O2 104.7(13) 5_567 .
C3 C12 N2 48.8(13) 5_567 .
C2 C12 N2 136.5(13) 5_567 .
O2 C12 N2 118.7(9) . .
C3 C12 C8 68.4(14) 5_567 .
C2 C12 C8 19.8(8) 5_567 .
O2 C12 C8 124.5(9) . .
N2 C12 C8 116.8(8) . .
N2 C13 C29 113.5(6) . .
N2 C13 H13A 108.9 . .
C29 C13 H13A 108.9 . .
N2 C13 H13B 108.9 . .
C29 C13 H13B 108.9 . .
H13A C13 H13B 107.7 . .
O4 C14 H14A 109.5 . .
O4 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
O4 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O3 C29 O4 125.8(6) . .
O3 C29 C13 122.8(7) . .
O4 C29 C13 110.6(6) . .
O3 C29 H4A 110.0 . .
O4 C29 H4A 42.9 . .
C13 C29 H4A 104.1 . .
C24 C15 C16 120.3(5) . .
C24 C15 H15A 119.9 . .
C16 C15 H15A 119.9 . .
C17 C16 C15 120.7(5) . .
C17 C16 H16A 119.6 . .
C15 C16 H16A 119.6 . .
C16 C17 C18 121.1(5) . .
C16 C17 H17A 119.5 . .
C18 C17 H17A 119.5 . .
C17 C18 C23 118.8(5) . .
C17 C18 C19 122.9(5) . .
C23 C18 C19 118.3(5) . .
C20 C19 C18 121.0(5) . .
C20 C19 H19A 119.5 . .
C18 C19 H19A 119.5 . .
C19 C20 C21 121.0(5) . .
C19 C20 H20A 119.5 . .
C21 C20 H20A 119.5 . .
C22 C21 C20 120.3(5) . .
C22 C21 H21A 119.9 . .
C20 C21 H21A 119.9 . .
C21 C22 C23 119.7(5) . .
C21 C22 C26 119.5(4) . .
C23 C22 C26 120.8(4) . .
C24 C23 C22 120.7(4) . .
C24 C23 C18 119.6(4) . .
C22 C23 C18 119.7(4) . .
C15 C24 C23 119.5(5) . .
C15 C24 C25 120.5(4) . .
C23 C24 C25 120.0(4) . .
O5 C25 N1 119.6(5) . .
O5 C25 C24 123.3(5) . .
N1 C25 C24 117.1(4) . .
O6 C26 N1 119.3(5) . .
O6 C26 C22 124.3(5) . .
N1 C26 C22 116.4(4) . .
O7 C27 O8 121.1(4) . .
O7 C27 C28 120.8(4) . .
O8 C27 C28 118.0(4) . .
O7 C27 Eu1 59.1(2) . .
O8 C27 Eu1 62.48(19) . .
C28 C27 Eu1 173.9(3) . .
N1 C28 C27 112.6(4) . .
N1 C28 H28A 109.1 . .
C27 C28 H28A 109.1 . .
N1 C28 H28B 109.1 . .
C27 C28 H28B 109.1 . .
H28A C28 H28B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O9 2.391(4) .
Eu1 O4 2.408(3) .
Eu1 O4 2.408(3) 2_556
Eu1 O8 2.441(3) 5_556
Eu1 O8 2.441(3) 6_556
Eu1 O7 2.479(3) 2_556
Eu1 O7 2.479(3) .
Eu1 O8 2.551(3) 2_556
Eu1 O8 2.551(3) .
Eu1 C27 2.875(4) 2_556
Eu1 C27 2.875(4) .
Eu1 Eu1 4.1999(8) 5_556
Eu1 H4A 2.7686 .
O1 C5 0.985(15) 5_567
O1 C11 1.212(11) .
O2 C12 1.223(11) .
O2 C2 1.807(14) 5_567
O3 C29 1.223(8) .
O4 C14 1.180(13) .
O4 C29 1.344(8) .
O4 H4A 0.9441 .
O5 C25 1.219(5) .
O6 C26 1.211(5) .
O7 C27 1.244(5) .
O8 C27 1.273(5) .
O8 Eu1 2.441(3) 5_556
O9 H9A 0.8666 .
N1 C26 1.393(6) .
N1 C25 1.402(6) .
N1 C28 1.454(6) .
N2 C3 1.060(15) 5_567
N2 C11 1.377(11) .
N2 C12 1.407(13) .
N2 C13 1.461(9) .
N2 C4 1.849(9) 5_567
C1 C7 0.844(12) 5_567
C1 C8 1.01(2) 5_567
C1 C10 1.372(14) .
C1 C2 1.390(17) .
C1 C6 1.416(18) 5_567
C1 C9 1.613(11) 5_567
C1 H1 0.9598 .
C2 C3 1.35(2) .
C2 O2 1.807(14) 5_567
C2 H2 0.9300 .
C3 C4 1.427(16) .
C3 H3 0.9300 .
C4 C10 0.631(8) 5_567
C4 C11 1.079(15) 5_567
C4 C9 1.3897 .
C4 C5 1.3902 .
C4 C9 1.457(19) 5_567
C4 N2 1.849(9) 5_567
C5 C6 1.3902 .
C5 H5 0.9300 .
C6 C7 1.3900 .
C6 H6 0.9300 .
C7 C8 1.3900 .
C7 H7 0.9300 .
C8 C2 0.595(11) 5_567
C8 C1 1.005(14) 5_567
C8 C9 1.3903 .
C8 C3 1.405(18) 5_567
C8 C12 1.468(11) .
C8 C10 1.789(8) 5_567
C9 C9 0.853(11) 5_567
C9 C10 0.988(13) 5_567
C9 C10 1.422(12) .
C9 C4 1.457(16) 5_567
C9 C1 1.613(11) 5_567
C10 C4 0.631(8) 5_567
C10 C9 0.988(15) 5_567
C10 C5 1.430(15) 5_567
C10 C11 1.494(13) .
C10 C8 1.789(12) 5_567
C11 C5 0.895(19) 5_567
C11 C4 1.079(15) 5_567
C11 C3 1.67(2) 5_567
C12 C3 0.871(15) 5_567
C12 C2 1.055(18) 5_567
C13 C29 1.506(10) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C29 H4A 1.2155 .
C15 C24 1.379(6) .
C15 C16 1.397(7) .
C15 H15A 0.9300 .
C16 C17 1.338(8) .
C16 H16A 0.9300 .
C17 C18 1.405(7) .
C17 H17A 0.9300 .
C18 C23 1.406(6) .
C18 C19 1.417(7) .
C19 C20 1.340(7) .
C19 H19A 0.9300 .
C20 C21 1.388(7) .
C20 H20A 0.9300 .
C21 C22 1.378(6) .
C21 H21A 0.9300 .
C22 C23 1.404(5) .
C22 C26 1.460(6) .
C23 C24 1.403(6) .
C24 C25 1.456(6) .
C27 C28 1.522(6) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
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
O9 H9A O4 0.87 1.86 2.710(3) 166.5 6
O4 H4A O3 0.94 1.82 2.689(6) 151.8 2_556
