#------------------------------------------------------------------------------
#$Date: 2019-11-24 02:21:01 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236240 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/65/7236507.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_7236507
loop_
_publ_author_name
'Zhou, Jing-Jing'
'Song, Xue-Qin'
'liu, Yuan-Ang'
'Wang, Xiao-Long'
_publ_section_title
;
 Substituent-tuned structure and luminescence sensitizing towards Al3+
 based on phenoxy bridged dinuclear EuIII complexes
;
_journal_issue                   41
_journal_name_full               'RSC Advances'
_journal_page_first              25549
_journal_paper_doi               10.1039/C7RA02386C
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C48 H42 Eu2 N12 O24'
_chemical_formula_weight         1474.84
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-02-26 deposited with the CCDC.
2017-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   17.4511(7)
_cell_length_b                   17.4511(7)
_cell_length_c                   40.5949(16)
_cell_measurement_reflns_used    2114
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.4560
_cell_measurement_theta_min      3.5960
_cell_volume                     10706.5(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0741
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            7665
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         3.598
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.795
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98119
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale white'
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_description       block
_exptl_crystal_F_000             4392
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.861
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         4442
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1050P)²+0.6667P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1675
_refine_ls_wR_factor_ref         0.1820
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3084
_reflns_number_total             4442
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ra02386c2.cif
_cod_data_source_block           songxq_L1Eu
_cod_original_cell_volume        10706.5(10)
_cod_database_code               7236507
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.6667 0.3333 0.20078(2) 0.0362(2) Uani 1 3 d S T P A 1
Eu2 Eu 0.6667 0.3333 0.11272(2) 0.0319(2) Uani 1 3 d S T P A 1
C1 C 0.5242(4) 0.1482(4) 0.15547(15) 0.0329(15) Uani 1 1 d . . . A 1
C2 C 0.5301(5) 0.0766(5) 0.16934(19) 0.0474(19) Uani 1 1 d . . . A 1
H2 H 0.5801 0.0878 0.1813 0.057 Uiso 1 1 calc R U . A 1
C3 C 0.4615(5) -0.0102(5) 0.1652(2) 0.055(2) Uani 1 1 d . . . A 1
H3A H 0.4660 -0.0567 0.1744 0.066 Uiso 1 1 calc R U . A 1
C4 C 0.3867(6) -0.0272(6) 0.1475(2) 0.064(2) Uani 1 1 d . . . A 1
H4 H 0.3414 -0.0851 0.1444 0.077 Uiso 1 1 calc R U . A 1
C5 C 0.3800(5) 0.0431(5) 0.13446(19) 0.0469(19) Uani 1 1 d . . . A 1
H5 H 0.3300 0.0315 0.1224 0.056 Uiso 1 1 calc R U . A 1
C6 C 0.4466(5) 0.1298(5) 0.13914(16) 0.0404(17) Uani 1 1 d . . . A 1
C7 C 0.4387(5) 0.2044(5) 0.12446(18) 0.0431(18) Uani 1 1 d . . . A 1
C8 C 0.3320(6) 0.2483(7) 0.1029(3) 0.086(4) Uani 1 1 d . . . A 1
H8A H 0.2691 0.2256 0.1056 0.104 Uiso 1 1 calc R U . A 1
H8B H 0.3414 0.2391 0.0800 0.104 Uiso 1 1 calc R U . A 1
C9 C 0.3764(8) 0.3438(8) 0.1083(3) 0.092(4) Uani 1 1 d . . . A 1
H9A H 0.3876 0.3561 0.1317 0.110 Uiso 1 1 calc R U . A 1
H9B H 0.3381 0.3660 0.1011 0.110 Uiso 1 1 calc R U . A 1
C10 C 0.4833(7) 0.4547(7) 0.0702(3) 0.087(4) Uani 1 1 d . . . A 1
H10 H 0.4435 0.4747 0.0667 0.105 Uiso 1 1 calc R U . A 1
C11 C 0.5655(6) 0.4979(6) 0.0532(2) 0.066(3) Uani 1 1 d . . . A 1
C12 C 0.5807(7) 0.5639(7) 0.0308(3) 0.081(3) Uani 1 1 d . . . A 1
H12 H 0.5375 0.5795 0.0277 0.098 Uiso 1 1 calc R U . A 1
C13 C 0.6565(9) 0.6061(8) 0.0133(3) 0.089(4) Uani 1 1 d . . . A 1
C14 C 0.7260(8) 0.5907(7) 0.0205(2) 0.088(4) Uani 1 1 d . . . A 1
H14 H 0.7816 0.6274 0.0114 0.106 Uiso 1 1 calc R U . A 1
C15 C 0.7136(6) 0.5220(6) 0.0407(2) 0.060(2) Uani 1 1 d . . . A 1
H15 H 0.7587 0.5089 0.0435 0.072 Uiso 1 1 calc R U . A 1
C16 C 0.6313(5) 0.4713(5) 0.05730(18) 0.0467(19) Uani 1 1 d . . . A 1
N1 N 0.3547(4) 0.1931(5) 0.12274(16) 0.0543(18) Uani 1 1 d . . . A 1
H1 H 0.3134 0.1510 0.1340 0.065 Uiso 1 1 calc R U . A 1
N2 N 0.4608(5) 0.3898(6) 0.0901(2) 0.074(2) Uani 1 1 d . . . A 1
N3 N 0.6723(10) 0.6756(9) -0.0077(3) 0.149(4) Uani 1 1 d . U . A 1
N4 N 0.6724(7) 0.1912(6) 0.2374(2) 0.076(2) Uani 1 1 d . U . A 1
O1 O 0.5937(3) 0.2309(3) 0.15954(11) 0.0375(11) Uani 1 1 d . . . A 1
O2 O 0.5026(3) 0.2731(3) 0.11480(12) 0.0425(12) Uani 1 1 d . . . A 1
O3 O 0.6155(3) 0.4047(3) 0.07534(12) 0.0441(12) Uani 1 1 d . . . A 1
H3 H 0.5569 0.3657 0.0721 0.053 Uiso 1 1 d R U . A 1
O4 O 0.7439(9) 0.7175(9) -0.0228(3) 0.168(4) Uani 1 1 d . U . A 1
O5 O 0.6108(8) 0.6930(8) -0.0129(2) 0.146(3) Uani 1 1 d . U . A 1
O6 O 0.7209(4) 0.2245(4) 0.21308(13) 0.0516(14) Uani 1 1 d . . . A 1
O7 O 0.6202(5) 0.2199(5) 0.24532(16) 0.0752(19) Uani 1 1 d . U . A 1
O8A O 0.697(2) 0.150(2) 0.2576(6) 0.074(7) Uani 0.51(6) 1 d . U P A 1
O8B O 0.656(3) 0.119(2) 0.2525(5) 0.082(7) Uani 0.49(6) 1 d . U P A 2
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'
Eu Eu -0.1578 3.6682 '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'
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 O1 73.34(17) 3_665 .
O1 Eu1 O1 73.34(17) 3_665 2_655
O1 Eu1 O1 73.34(17) . 2_655
O1 Eu1 O7 127.50(19) 3_665 2_655
O1 Eu1 O7 152.5(2) . 2_655
O1 Eu1 O7 94.4(2) 2_655 2_655
O1 Eu1 O7 152.5(2) 3_665 .
O1 Eu1 O7 94.4(2) . .
O1 Eu1 O7 127.50(19) 2_655 .
O7 Eu1 O7 73.4(3) 2_655 .
O1 Eu1 O7 94.4(2) 3_665 3_665
O1 Eu1 O7 127.50(19) . 3_665
O1 Eu1 O7 152.5(2) 2_655 3_665
O7 Eu1 O7 73.4(3) 2_655 3_665
O7 Eu1 O7 73.4(3) . 3_665
O1 Eu1 O6 80.38(16) 3_665 3_665
O1 Eu1 O6 76.97(18) . 3_665
O1 Eu1 O6 144.78(16) 2_655 3_665
O7 Eu1 O6 120.4(2) 2_655 3_665
O7 Eu1 O6 72.9(2) . 3_665
O7 Eu1 O6 50.54(19) 3_665 3_665
O1 Eu1 O6 76.97(18) 3_665 2_655
O1 Eu1 O6 144.77(16) . 2_655
O1 Eu1 O6 80.38(16) 2_655 2_655
O7 Eu1 O6 50.54(19) 2_655 2_655
O7 Eu1 O6 120.4(2) . 2_655
O7 Eu1 O6 72.9(2) 3_665 2_655
O6 Eu1 O6 116.28(8) 3_665 2_655
O1 Eu1 O6 144.77(16) 3_665 .
O1 Eu1 O6 80.38(16) . .
O1 Eu1 O6 76.97(18) 2_655 .
O7 Eu1 O6 72.9(2) 2_655 .
O7 Eu1 O6 50.54(19) . .
O7 Eu1 O6 120.4(2) 3_665 .
O6 Eu1 O6 116.28(8) 3_665 .
O6 Eu1 O6 116.28(8) 2_655 .
O1 Eu1 N4 101.8(2) 3_665 2_655
O1 Eu1 N4 160.6(2) . 2_655
O1 Eu1 N4 87.3(2) 2_655 2_655
O7 Eu1 N4 25.7(2) 2_655 2_655
O7 Eu1 N4 97.3(3) . 2_655
O7 Eu1 N4 71.0(2) 3_665 2_655
O6 Eu1 N4 121.4(2) 3_665 2_655
O6 Eu1 N4 24.88(19) 2_655 2_655
O6 Eu1 N4 95.2(2) . 2_655
O1 Eu1 N4 87.3(2) 3_665 3_665
O1 Eu1 N4 101.8(2) . 3_665
O1 Eu1 N4 160.6(2) 2_655 3_665
O7 Eu1 N4 97.3(3) 2_655 3_665
O7 Eu1 N4 71.0(2) . 3_665
O7 Eu1 N4 25.7(2) 3_665 3_665
O6 Eu1 N4 24.88(19) 3_665 3_665
O6 Eu1 N4 95.2(2) 2_655 3_665
O6 Eu1 N4 121.4(2) . 3_665
N4 Eu1 N4 96.6(2) 2_655 3_665
O3 Eu2 O3 84.29(18) . 2_655
O3 Eu2 O3 84.29(18) . 3_665
O3 Eu2 O3 84.29(18) 2_655 3_665
O3 Eu2 O1 89.54(16) . 3_665
O3 Eu2 O1 142.51(15) 2_655 3_665
O3 Eu2 O1 131.91(16) 3_665 3_665
O3 Eu2 O1 131.91(16) . .
O3 Eu2 O1 89.53(16) 2_655 .
O3 Eu2 O1 142.51(15) 3_665 .
O1 Eu2 O1 67.62(17) 3_665 .
O3 Eu2 O1 142.51(15) . 2_655
O3 Eu2 O1 131.91(15) 2_655 2_655
O3 Eu2 O1 89.53(16) 3_665 2_655
O1 Eu2 O1 67.62(17) 3_665 2_655
O1 Eu2 O1 67.62(17) . 2_655
O3 Eu2 O2 70.92(17) . 3_665
O3 Eu2 O2 142.59(16) 2_655 3_665
O3 Eu2 O2 66.18(16) 3_665 3_665
O1 Eu2 O2 66.75(15) 3_665 3_665
O1 Eu2 O2 127.88(15) . 3_665
O1 Eu2 O2 72.76(16) 2_655 3_665
O3 Eu2 O2 66.18(16) . .
O3 Eu2 O2 70.93(17) 2_655 .
O3 Eu2 O2 142.59(16) 3_665 .
O1 Eu2 O2 72.76(16) 3_665 .
O1 Eu2 O2 66.75(15) . .
O1 Eu2 O2 127.87(15) 2_655 .
O2 Eu2 O2 119.890(13) 3_665 .
O3 Eu2 O2 142.59(16) . 2_655
O3 Eu2 O2 66.18(16) 2_655 2_655
O3 Eu2 O2 70.92(17) 3_665 2_655
O1 Eu2 O2 127.87(15) 3_665 2_655
O1 Eu2 O2 72.76(16) . 2_655
O1 Eu2 O2 66.75(15) 2_655 2_655
O2 Eu2 O2 119.887(13) 3_665 2_655
O2 Eu2 O2 119.888(13) . 2_655
O3 Eu2 H3 18.3 . .
O3 Eu2 H3 72.8 2_655 .
O3 Eu2 H3 97.2 3_665 .
O1 Eu2 H3 90.6 3_665 .
O1 Eu2 H3 116.2 . .
O1 Eu2 H3 155.1 2_655 .
O2 Eu2 H3 88.1 3_665 .
O2 Eu2 H3 49.4 . .
O2 Eu2 H3 138.0 2_655 .
O1 C1 C6 123.6(6) . .
O1 C1 C2 118.0(6) . .
C6 C1 C2 118.4(6) . .
C3 C2 C1 120.6(7) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C4 C3 C2 120.0(8) . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C3 C4 C5 119.5(8) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 121.1(8) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C1 120.3(7) . .
C5 C6 C7 120.2(7) . .
C1 C6 C7 119.3(7) . .
O2 C7 N1 120.4(7) . .
O2 C7 C6 123.0(7) . .
N1 C7 C6 116.6(7) . .
N1 C8 C9 120.5(10) . .
N1 C8 H8A 107.2 . .
C9 C8 H8A 107.2 . .
N1 C8 H8B 107.2 . .
C9 C8 H8B 107.2 . .
H8A C8 H8B 106.8 . .
C8 C9 N2 111.1(10) . .
C8 C9 H9A 109.4 . .
N2 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
N2 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
N2 C10 C11 123.8(9) . .
N2 C10 H10 118.1 . .
C11 C10 H10 118.1 . .
C12 C11 C10 118.9(9) . .
C12 C11 C16 119.2(8) . .
C10 C11 C16 121.8(8) . .
C13 C12 C11 121.9(9) . .
C13 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
C12 C13 N3 120.7(11) . .
C12 C13 C14 119.5(8) . .
N3 C13 C14 118.8(11) . .
C15 C14 C13 121.1(9) . .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
C14 C15 C16 119.6(9) . .
C14 C15 H15 120.2 . .
C16 C15 H15 120.2 . .
O3 C16 C15 121.8(8) . .
O3 C16 C11 120.7(7) . .
C15 C16 C11 117.5(7) . .
C7 N1 C8 123.7(7) . .
C7 N1 H1 118.1 . .
C8 N1 H1 118.1 . .
C10 N2 C9 125.2(8) . .
O4 N3 O5 119.7(10) . .
O4 N3 C13 121.0(12) . .
O5 N3 C13 119.2(12) . .
O6 N4 O7 117.9(7) . .
O6 N4 O8A 115.0(13) . .
O7 N4 O8A 124.0(11) . .
C1 O1 Eu1 140.1(4) . .
C1 O1 Eu2 122.6(4) . .
Eu1 O1 Eu2 96.42(16) . .
C7 O2 Eu2 135.3(5) . .
C16 O3 Eu2 149.8(5) . .
C16 O3 H3 104.3 . .
Eu2 O3 H3 105.8 . .
N4 O6 Eu1 94.9(5) . .
N4 O7 Eu1 96.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.311(5) 3_665
Eu1 O1 2.311(5) .
Eu1 O1 2.311(5) 2_655
Eu1 O7 2.498(6) 2_655
Eu1 O7 2.498(6) .
Eu1 O7 2.498(6) 3_665
Eu1 O6 2.558(5) 3_665
Eu1 O6 2.558(5) 2_655
Eu1 O6 2.558(5) .
Eu1 N4 2.936(8) 2_655
Eu1 N4 2.936(8) 3_665
Eu2 O3 2.401(5) .
Eu2 O3 2.401(5) 2_655
Eu2 O3 2.401(5) 3_665
Eu2 O1 2.480(4) 3_665
Eu2 O1 2.480(4) .
Eu2 O1 2.480(4) 2_655
Eu2 O2 2.510(5) 3_665
Eu2 O2 2.510(5) .
Eu2 O2 2.510(5) 2_655
Eu2 H3 2.7908 .
C1 O1 1.354(8) .
C1 C6 1.393(10) .
C1 C2 1.420(10) .
C2 C3 1.393(11) .
C2 H2 0.9300 .
C3 C4 1.386(12) .
C3 H3A 0.9300 .
C4 C5 1.394(11) .
C4 H4 0.9300 .
C5 C6 1.385(11) .
C5 H5 0.9300 .
C6 C7 1.499(10) .
C7 O2 1.224(8) .
C7 N1 1.380(9) .
C8 N1 1.454(11) .
C8 C9 1.461(15) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N2 1.475(13) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.284(11) .
C10 C11 1.421(13) .
C10 H10 0.9300 .
C11 C12 1.385(12) .
C11 C16 1.447(11) .
C12 C13 1.350(14) .
C12 H12 0.9300 .
C13 N3 1.392(13) .
C13 C14 1.398(15) .
C14 C15 1.377(12) .
C14 H14 0.9300 .
C15 C16 1.425(11) .
C15 H15 0.9300 .
C16 O3 1.282(8) .
N1 H1 0.8600 .
N3 O4 1.249(14) .
N3 O5 1.271(14) .
N4 O6 1.240(9) .
N4 O7 1.280(10) .
N4 O8A 1.30(2) .
O3 H3 0.9114 .
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
O1 C1 C2 C3 -178.4(7)
C6 C1 C2 C3 3.2(11)
C1 C2 C3 C4 -0.1(13)
C2 C3 C4 C5 -1.2(14)
C3 C4 C5 C6 -0.5(13)
C4 C5 C6 C1 3.7(12)
C4 C5 C6 C7 179.1(7)
O1 C1 C6 C5 176.7(6)
C2 C1 C6 C5 -4.9(10)
O1 C1 C6 C7 1.3(10)
C2 C1 C6 C7 179.7(7)
C5 C6 C7 O2 -147.0(8)
C1 C6 C7 O2 28.4(11)
C5 C6 C7 N1 34.1(10)
C1 C6 C7 N1 -150.5(7)
N1 C8 C9 N2 84.6(13)
N2 C10 C11 C12 176.2(12)
N2 C10 C11 C16 -0.2(18)
C10 C11 C12 C13 -178.6(11)
C16 C11 C12 C13 -2.1(18)
C11 C12 C13 N3 -176.4(12)
C11 C12 C13 C14 -7(2)
C12 C13 C14 C15 11.9(19)
N3 C13 C14 C15 -178.9(11)
C13 C14 C15 C16 -6.4(16)
C14 C15 C16 O3 177.3(9)
C14 C15 C16 C11 -3.0(13)
C12 C11 C16 O3 -173.0(9)
C10 C11 C16 O3 3.4(15)
C12 C11 C16 C15 7.2(14)
C10 C11 C16 C15 -176.4(9)
O2 C7 N1 C8 15.5(13)
C6 C7 N1 C8 -165.6(8)
C9 C8 N1 C7 -58.7(15)
C11 C10 N2 C9 179.6(11)
C8 C9 N2 C10 127.0(12)
C12 C13 N3 O4 176.9(15)
C14 C13 N3 O4 8(2)
C12 C13 N3 O5 -7(2)
C14 C13 N3 O5 -176.3(14)
C6 C1 O1 Eu1 111.4(7)
C2 C1 O1 Eu1 -67.0(9)
C6 C1 O1 Eu2 -54.6(8)
C2 C1 O1 Eu2 127.0(6)
N1 C7 O2 Eu2 178.2(5)
C6 C7 O2 Eu2 -0.6(11)
C15 C16 O3 Eu2 33.9(14)
C11 C16 O3 Eu2 -145.8(8)
O7 N4 O6 Eu1 1.0(9)
O8A N4 O6 Eu1 -160(2)
O6 N4 O7 Eu1 -1.1(9)
O8A N4 O7 Eu1 158(2)
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 0.000 0.000 -0.015 970 197 ' '
2 -0.333 0.333 0.319 964 197 ' '
3 0.000 0.000 0.491 197 36 ' '
4 0.333 0.667 0.653 963 196 ' '
5 0.333 0.667 0.157 192 36 ' '
6 0.667 0.333 0.823 191 36 ' '
