#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:13:33 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/02/7240239.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_7240239
loop_
_publ_author_name
'Hussain, Sajjad'
'Chen, Xuenian'
'Harrison, William T. A.'
'Ahmad, Saeed'
'Sharif, Shahzad'
'Su, Jian'
'Muhammad, Shabbir'
'Li, Shujun'
_publ_section_title
;
 Synthesis, crystal structures and, magnetic and photoluminescence
 properties of lanthanide-based metal--organic frameworks constructed with
 2,5-dihydroxybenzene-1,4-dicarboxylic acid
;
_journal_issue                   22
_journal_name_full               'RSC Advances'
_journal_page_first              12841
_journal_page_last               12850
_journal_paper_doi               10.1039/D0RA01294G
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C12 H10 Eu O11, 3(C2 H6 O), H2 O'
_chemical_formula_sum            'C18 H30 Eu O15'
_chemical_formula_weight         638.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-06-30 deposited with the CCDC.	2020-03-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.3480(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5345(2)
_cell_length_b                   14.4309(2)
_cell_length_c                   14.2786(2)
_cell_measurement_reflns_used    8533
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      71.02
_cell_measurement_theta_min      4.16
_cell_volume                     2478.35(6)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14122
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.186
_diffrn_reflns_theta_min         4.153
_exptl_absorpt_coefficient_mu    18.754
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADBAS '
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_description       block
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.540
_exptl_crystal_size_mid          0.490
_exptl_crystal_size_min          0.450
_refine_diff_density_max         0.791
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4720
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0571P)²+1.7628P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                4293
_reflns_number_total             4720
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra01294g2.cif
_cod_data_source_block           551z
_cod_depositor_comments
'Adding full bibliography for 7240237--7240240.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7240239
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.035
_shelx_estimated_absorpt_t_max   0.043
loop_
_space_group_symop_operation_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_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 0.60352(2) 0.46628(2) 0.41527(2) 0.00776(8) Uani 1 1 d . . . . .
C1 C 0.2970(3) 0.2974(3) 0.3733(2) 0.0139(7) Uani 1 1 d . . . . .
C2 C 0.3483(3) 0.2677(3) 0.3034(2) 0.0149(7) Uani 1 1 d . . . . .
H2 H 0.420505 0.289711 0.306083 0.018 Uiso 1 1 calc R U . . .
C3 C 0.2951(3) 0.2065(3) 0.2304(2) 0.0151(7) Uani 1 1 d . . . . .
C4 C 0.1896(3) 0.1721(3) 0.2276(2) 0.0122(7) Uani 1 1 d . . . . .
C5 C 0.1397(3) 0.2001(3) 0.2989(3) 0.0169(8) Uani 1 1 d . . . . .
H5A H 0.068840 0.176041 0.297939 0.020 Uiso 1 1 calc R U . . .
C6 C 0.1919(3) 0.2620(3) 0.3708(3) 0.0169(8) Uani 1 1 d . . . . .
C7 C 0.3523(3) 0.3684(3) 0.4469(2) 0.0134(7) Uani 1 1 d . . . . .
C8 C 0.1274(3) 0.1076(3) 0.1488(2) 0.0138(7) Uani 1 1 d . . . . .
O1 O 0.4420(2) 0.40579(19) 0.44378(18) 0.0159(5) Uani 1 1 d . . . . .
O2 O 0.3042(2) 0.3929(2) 0.51043(19) 0.0181(6) Uani 1 1 d . . . . .
O3 O 0.1724(2) 0.08871(19) 0.08050(18) 0.0158(5) Uani 1 1 d . . . . .
O4 O 0.0359(2) 0.0772(2) 0.15284(18) 0.0180(6) Uani 1 1 d . . . . .
O5 O 0.3485(2) 0.1825(2) 0.16328(19) 0.0225(6) Uani 1 1 d . . . . .
H5 H 0.307673 0.149281 0.121538 0.027 Uiso 1 1 d R U . . .
O6 O 0.1381(2) 0.2878(2) 0.4380(2) 0.0286(7) Uani 1 1 d . . . . .
H6 H 0.173503 0.329032 0.472793 0.034 Uiso 1 1 d R U . . .
C9 C 0.5328(3) 0.4906(3) 0.1016(3) 0.0145(7) Uani 1 1 d . . . . .
C10 C 0.5762(3) 0.5622(3) 0.0575(3) 0.0173(7) Uani 1 1 d . . . . .
H10 H 0.628423 0.604305 0.096494 0.021 Uiso 1 1 calc R U . . .
C11 C 0.5432(3) 0.5719(3) -0.0431(3) 0.0165(7) Uani 1 1 d . . . . .
C12 C 0.5689(3) 0.4809(3) 0.2096(3) 0.0145(7) Uani 1 1 d . . . . .
O7 O 0.5235(2) 0.4160(2) 0.24729(18) 0.0211(6) Uani 1 1 d . . . . .
O8 O 0.6391(2) 0.5334(2) 0.26240(19) 0.0206(6) Uani 1 1 d . . . . .
O9 O 0.5868(2) 0.6436(2) -0.08302(18) 0.0223(6) Uani 1 1 d . . . . .
H9 H 0.560678 0.643025 -0.142707 0.027 Uiso 1 1 d R U . . .
O10 O 0.7977(2) 0.4512(2) 0.4269(2) 0.0254(7) Uani 1 1 d . . . . .
H10A H 0.842368 0.496962 0.411692 0.030 Uiso 1 1 d R U . . .
H10B H 0.840468 0.404462 0.445092 0.030 Uiso 1 1 d R U . . .
O11 O 0.6389(3) 0.3025(2) 0.40234(19) 0.0245(6) Uani 1 1 d . . . . .
H11A H 0.642882 0.259629 0.443083 0.029 Uiso 1 1 d R U . . .
H11B H 0.657882 0.296129 0.345884 0.029 Uiso 1 1 d R U . . .
O12 O 0.9503(2) 0.3148(2) 0.5015(2) 0.0277(7) Uani 1 1 d . . . . .
H12A H 0.942289 0.263209 0.534772 0.033 Uiso 1 1 d R U . . .
H12B H 1.000288 0.293509 0.475172 0.033 Uiso 1 1 d R U . . .
C13 C 0.6804(9) 0.0058(7) 0.5941(10) 0.116(4) Uani 1 1 d . . . . .
H13A H 0.695393 -0.021710 0.536373 0.174 Uiso 1 1 calc R U . . .
H13B H 0.631697 -0.035366 0.618063 0.174 Uiso 1 1 calc R U . . .
H13C H 0.750567 0.014408 0.645238 0.174 Uiso 1 1 calc R U . . .
C14 C 0.6265(7) 0.0948(6) 0.5685(9) 0.101(4) Uani 1 1 d . . . . .
H14A H 0.552677 0.083425 0.521773 0.122 Uiso 1 1 calc R U . . .
H14B H 0.613330 0.121340 0.628220 0.122 Uiso 1 1 calc R U . . .
O13 O 0.6793(3) 0.1607(3) 0.5288(3) 0.0544(11) Uani 1 1 d . . . . .
H13 H 0.748366 0.152308 0.548616 0.082 Uiso 1 1 calc R U . . .
C15 C 1.0202(8) 0.4735(6) 0.3031(8) 0.083(3) Uani 1 1 d . . . . .
H15B H 1.034461 0.442333 0.246789 0.125 Uiso 1 1 calc R U . . .
H15C H 0.991760 0.428482 0.341461 0.125 Uiso 1 1 calc R U . . .
H15D H 1.089556 0.500502 0.343778 0.125 Uiso 1 1 calc R U . . .
C16 C 0.9379(6) 0.5471(5) 0.2689(6) 0.0614(18) Uani 1 1 d . . . . .
H16A H 0.970644 0.596865 0.238063 0.074 Uiso 1 1 calc R U . . .
H16B H 0.872792 0.521720 0.218980 0.074 Uiso 1 1 calc R U . . .
O14 O 0.9025(3) 0.5848(3) 0.3474(3) 0.0429(9) Uani 1 1 d . . . . .
H14 H 0.958150 0.603687 0.391197 0.051 Uiso 1 1 calc R U . . .
C17 C 0.7864(12) 0.3298(9) 0.1522(8) 0.082(4) Uani 0.705(15) 1 d D . P A 1
H17A H 0.728990 0.303301 0.097331 0.123 Uiso 0.705(15) 1 calc R U P A 1
H17B H 0.852213 0.345009 0.131074 0.123 Uiso 0.705(15) 1 calc R U P A 1
H17C H 0.757814 0.386124 0.174920 0.123 Uiso 0.705(15) 1 calc R U P A 1
C18 C 0.8171(7) 0.2610(6) 0.2334(6) 0.045(2) Uani 0.705(15) 1 d D . P A 1
H18A H 0.852387 0.207703 0.210172 0.054 Uiso 0.705(15) 1 calc R U P A 1
H18B H 0.874958 0.289912 0.287482 0.054 Uiso 0.705(15) 1 calc R U P A 1
O15 O 0.7372(7) 0.2263(5) 0.2722(6) 0.0424(16) Uani 0.705(15) 1 d D . P A 1
H15 H 0.709055 0.178644 0.241149 0.051 Uiso 0.705(15) 1 calc R U P A 1
C17A C 0.8566(17) 0.2810(17) 0.173(2) 0.069(9) Uani 0.295(15) 1 d D . P A 2
H17D H 0.880470 0.334475 0.141231 0.104 Uiso 0.295(15) 1 calc R U P A 2
H17E H 0.844477 0.227798 0.128032 0.104 Uiso 0.295(15) 1 calc R U P A 2
H17F H 0.914305 0.265619 0.232697 0.104 Uiso 0.295(15) 1 calc R U P A 2
C18A C 0.7518(18) 0.3036(13) 0.1960(17) 0.052(6) Uani 0.295(15) 1 d D . P A 2
H18C H 0.766078 0.360900 0.235682 0.062 Uiso 0.295(15) 1 calc R U P A 2
H18D H 0.696839 0.319877 0.133545 0.062 Uiso 0.295(15) 1 calc R U P A 2
O15A O 0.7009(15) 0.2447(12) 0.2418(13) 0.035(4) Uani 0.295(15) 1 d D U P A 2
H15A H 0.642085 0.225336 0.202429 0.041 Uiso 0.295(15) 1 calc R 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 0.0181 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'
Eu Eu -8.9294 11.1857 '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'
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
O1 Eu1 O4 75.48(9) . 2 ?
O1 Eu1 O10 149.56(10) . . ?
O4 Eu1 O10 134.93(10) 2 . ?
O1 Eu1 O3 78.21(9) . 4_666 ?
O4 Eu1 O3 130.16(9) 2 4_666 ?
O10 Eu1 O3 79.95(9) . 4_666 ?
O1 Eu1 O11 80.50(10) . . ?
O4 Eu1 O11 139.32(10) 2 . ?
O10 Eu1 O11 73.33(10) . . ?
O3 Eu1 O11 74.34(9) 4_666 . ?
O1 Eu1 O2 124.36(9) . 3_666 ?
O4 Eu1 O2 79.62(10) 2 3_666 ?
O10 Eu1 O2 72.35(10) . 3_666 ?
O3 Eu1 O2 81.51(9) 4_666 3_666 ?
O11 Eu1 O2 140.79(10) . 3_666 ?
O1 Eu1 O7 85.63(9) . . ?
O4 Eu1 O7 75.22(10) 2 . ?
O10 Eu1 O7 99.76(10) . . ?
O3 Eu1 O7 143.30(10) 4_666 . ?
O11 Eu1 O7 70.60(10) . . ?
O2 Eu1 O7 133.84(9) 3_666 . ?
O1 Eu1 O8 131.36(9) . . ?
O4 Eu1 O8 71.15(9) 2 . ?
O10 Eu1 O8 71.01(10) . . ?
O3 Eu1 O8 150.10(9) 4_666 . ?
O11 Eu1 O8 103.11(9) . . ?
O2 Eu1 O8 83.04(9) 3_666 . ?
O7 Eu1 O8 52.44(9) . . ?
C2 C1 C6 119.1(3) . . ?
C2 C1 C7 119.8(3) . . ?
C6 C1 C7 121.0(3) . . ?
C3 C2 C1 120.8(3) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
O5 C3 C2 117.7(3) . . ?
O5 C3 C4 122.5(3) . . ?
C2 C3 C4 119.8(3) . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 C8 118.8(3) . . ?
C3 C4 C8 121.9(3) . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5A 119.5 . . ?
C4 C5 H5A 119.5 . . ?
O6 C6 C5 118.2(3) . . ?
O6 C6 C1 121.8(3) . . ?
C5 C6 C1 120.0(3) . . ?
O1 C7 O2 120.9(3) . . ?
O1 C7 C1 120.8(3) . . ?
O2 C7 C1 118.3(3) . . ?
O1 C7 Eu1 71.7(2) . 3_666 ?
O2 C7 Eu1 50.04(18) . 3_666 ?
C1 C7 Eu1 163.4(3) . 3_666 ?
O4 C8 O3 124.5(3) . . ?
O4 C8 C4 118.5(3) . . ?
O3 C8 C4 117.0(3) . . ?
C7 O1 Eu1 171.7(2) . . ?
C7 O1 Eu1 84.0(2) . 3_666 ?
Eu1 O1 Eu1 103.39(9) . 3_666 ?
C7 O2 Eu1 106.3(2) . 3_666 ?
C8 O3 Eu1 134.5(2) . 4_565 ?
C8 O4 Eu1 143.4(2) . 2_545 ?
C3 O5 H5 109.3 . . ?
C6 O6 H6 109.3 . . ?
C10 C9 C11 119.5(3) . 3_665 ?
C10 C9 C12 119.6(3) . . ?
C11 C9 C12 121.0(3) 3_665 . ?
C11 C10 C9 120.1(4) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
O9 C11 C10 118.1(3) . . ?
O9 C11 C9 121.4(3) . 3_665 ?
C10 C11 C9 120.5(4) . 3_665 ?
O8 C12 O7 120.6(3) . . ?
O8 C12 C9 121.9(3) . . ?
O7 C12 C9 117.4(3) . . ?
O8 C12 Eu1 62.86(19) . . ?
O7 C12 Eu1 58.23(18) . . ?
C9 C12 Eu1 171.3(3) . . ?
C12 O7 Eu1 95.0(2) . . ?
C12 O8 Eu1 91.3(2) . . ?
C11 O9 H9 109.6 . . ?
Eu1 O10 H10A 125.7 . . ?
Eu1 O10 H10B 129.0 . . ?
H10A O10 H10B 105.3 . . ?
Eu1 O11 H11A 129.9 . . ?
Eu1 O11 H11B 105.4 . . ?
H11A O11 H11B 124.1 . . ?
H12A O12 H12B 97.8 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O13 C14 C13 118.3(8) . . ?
O13 C14 H14A 107.7 . . ?
C13 C14 H14A 107.7 . . ?
O13 C14 H14B 107.7 . . ?
C13 C14 H14B 107.7 . . ?
H14A C14 H14B 107.1 . . ?
C14 O13 H13 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15D 109.5 . . ?
H15B C15 H15D 109.5 . . ?
H15C C15 H15D 109.5 . . ?
O14 C16 C15 111.2(7) . . ?
O14 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 . . ?
O14 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C16 O14 H14 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O15 C18 C17 120.0(10) . . ?
O15 C18 H18A 107.3 . . ?
C17 C18 H18A 107.3 . . ?
O15 C18 H18B 107.3 . . ?
C17 C18 H18B 107.3 . . ?
H18A C18 H18B 106.9 . . ?
C18 O15 H15 109.5 . . ?
C18A C17A H17D 109.5 . . ?
C18A C17A H17E 109.5 . . ?
H17D C17A H17E 109.5 . . ?
C18A C17A H17F 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
O15A C18A C17A 123(2) . . ?
O15A C18A H18C 106.6 . . ?
C17A C18A H18C 106.6 . . ?
O15A C18A H18D 106.6 . . ?
C17A C18A H18D 106.6 . . ?
H18C C18A H18D 106.5 . . ?
C18A O15A H15A 109.5 . . ?
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 O1 2.343(2) . ?
Eu1 O4 2.367(3) 2 ?
Eu1 O10 2.402(3) . ?
Eu1 O3 2.407(2) 4_666 ?
Eu1 O11 2.421(3) . ?
Eu1 O2 2.429(3) 3_666 ?
Eu1 O7 2.435(3) . ?
Eu1 O8 2.540(3) . ?
C1 C2 1.398(5) . ?
C1 C6 1.404(5) . ?
C1 C7 1.492(5) . ?
C2 C3 1.386(5) . ?
C2 H2 0.9500 . ?
C3 O5 1.359(4) . ?
C3 C4 1.402(5) . ?
C4 C5 1.397(5) . ?
C4 C8 1.499(5) . ?
C5 C6 1.379(5) . ?
C5 H5A 0.9500 . ?
C6 O6 1.371(4) . ?
C7 O1 1.260(5) . ?
C7 O2 1.273(4) . ?
C8 O4 1.244(4) . ?
C8 O3 1.286(4) . ?
O5 H5 0.8217 . ?
O6 H6 0.8211 . ?
C9 C10 1.398(5) . ?
C9 C11 1.404(5) 3_665 ?
C9 C12 1.486(5) . ?
C10 C11 1.384(5) . ?
C10 H10 0.9500 . ?
C11 O9 1.368(5) . ?
C12 O8 1.243(5) . ?
C12 O7 1.289(5) . ?
O9 H9 0.8226 . ?
O10 H10A 0.9308 . ?
O10 H10B 0.8550 . ?
O11 H11A 0.8408 . ?
O11 H11B 0.9075 . ?
O12 H12A 0.9040 . ?
O12 H12B 0.8724 . ?
C13 C14 1.449(12) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 O13 1.370(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
O13 H13 0.8400 . ?
C15 C16 1.466(11) . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 H15D 0.9800 . ?
C16 O14 1.424(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
O14 H14 0.8400 . ?
C17 C18 1.492(12) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 O15 1.368(9) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
O15 H15 0.8400 . ?
C17A C18A 1.481(18) . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18A O15A 1.338(17) . ?
C18A H18C 0.9900 . ?
C18A H18D 0.9900 . ?
O15A H15A 0.8400 . ?
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
_geom_hbond_publ_flag
O5 H5 O3 0.82 1.85 2.576(4) 147 . yes
O6 H6 O2 0.82 1.82 2.548(4) 146 . yes
O9 H9 O7 0.82 1.78 2.516(4) 147 3_665 yes
O10 H10A O14 0.93 1.85 2.753(5) 164 . yes
O10 H10B O12 0.85 1.90 2.742(4) 170 . yes
O11 H11A O13 0.84 1.85 2.682(5) 169 . yes
O11 H11B O15 0.91 1.92 2.734(7) 148 . yes
O11 H11B O15A 0.91 1.87 2.749(15) 162 . yes
O12 H12A O9 0.90 1.93 2.825(4) 170 2_645 yes
O12 H12B O6 0.87 1.95 2.777(4) 159 1_655 yes
O13 H13 O9 0.84 1.99 2.824(5) 173 2_645 yes
O14 H14 O12 0.84 2.01 2.812(5) 159 3_766 yes
O15 H15 O14 0.84 2.10 2.910(8) 163 2_645 yes
O15A H15A O14 0.84 2.17 2.775(17) 129 2_645 yes
C2 H2 O7 0.95 2.51 3.323(4) 144 . yes
C16 H16A O5 0.99 2.62 3.235(8) 121 2_655 yes
C17 H17A O6 0.98 2.60 3.533(12) 160 4_665 yes
C18 H18A O8 0.99 2.54 3.327(10) 136 2_645 yes
C17A H17E O2 0.98 2.37 3.35(2) 175 4_665 yes
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
C6 C1 C2 C3 2.2(6) . . . . ?
C7 C1 C2 C3 -175.6(3) . . . . ?
C1 C2 C3 O5 178.3(3) . . . . ?
C1 C2 C3 C4 -1.5(6) . . . . ?
O5 C3 C4 C5 -179.9(4) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
O5 C3 C4 C8 -1.2(6) . . . . ?
C2 C3 C4 C8 178.6(3) . . . . ?
C3 C4 C5 C6 1.1(6) . . . . ?
C8 C4 C5 C6 -177.6(4) . . . . ?
C4 C5 C6 O6 179.1(4) . . . . ?
C4 C5 C6 C1 -0.4(6) . . . . ?
C2 C1 C6 O6 179.3(4) . . . . ?
C7 C1 C6 O6 -3.0(6) . . . . ?
C2 C1 C6 C5 -1.2(6) . . . . ?
C7 C1 C6 C5 176.6(4) . . . . ?
C2 C1 C7 O1 3.9(5) . . . . ?
C6 C1 C7 O1 -173.9(4) . . . . ?
C2 C1 C7 O2 -179.0(3) . . . . ?
C6 C1 C7 O2 3.3(5) . . . . ?
C2 C1 C7 Eu1 139.5(7) . . . 3_666 ?
C6 C1 C7 Eu1 -38.2(10) . . . 3_666 ?
C5 C4 C8 O4 -3.8(5) . . . . ?
C3 C4 C8 O4 177.5(4) . . . . ?
C5 C4 C8 O3 175.1(3) . . . . ?
C3 C4 C8 O3 -3.6(5) . . . . ?
O2 C7 O1 Eu1 -9.2(3) . . . 3_666 ?
C1 C7 O1 Eu1 167.8(3) . . . 3_666 ?
O1 C7 O2 Eu1 11.5(4) . . . 3_666 ?
C1 C7 O2 Eu1 -165.7(3) . . . 3_666 ?
O4 C8 O3 Eu1 20.9(6) . . . 4_565 ?
C4 C8 O3 Eu1 -158.0(2) . . . 4_565 ?
O3 C8 O4 Eu1 12.5(7) . . . 2_545 ?
C4 C8 O4 Eu1 -168.7(3) . . . 2_545 ?
C11 C9 C10 C11 0.8(6) 3_665 . . . ?
C12 C9 C10 C11 180.0(3) . . . . ?
C9 C10 C11 O9 179.2(3) . . . . ?
C9 C10 C11 C9 -0.8(6) . . . 3_665 ?
C10 C9 C12 O8 -1.8(6) . . . . ?
C11 C9 C12 O8 177.4(4) 3_665 . . . ?
C10 C9 C12 O7 177.4(3) . . . . ?
C11 C9 C12 O7 -3.4(5) 3_665 . . . ?
O8 C12 O7 Eu1 7.9(4) . . . . ?
C9 C12 O7 Eu1 -171.3(3) . . . . ?
O7 C12 O8 Eu1 -7.5(4) . . . . ?
C9 C12 O8 Eu1 171.6(3) . . . . ?
