#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:39:31 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224538 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/90/7049043.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_7049043
loop_
_publ_author_name
'Pan, Yue'
'Su, Hai-Quan'
'Zhou, En-Long'
'Yin, Hong-Zong'
'Shao, Kui-Zhan'
'Su, Zhong-Min'
_publ_section_title
;
 A stable mixed lanthanide metal-organic framework for highly sensitive
 thermometry.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3723
_journal_page_last               3729
_journal_paper_doi               10.1039/c9dt00217k
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C16 H6 Eu O8'
_chemical_formula_sum            'C16 H6 Eu O8'
_chemical_formula_weight         478.17
_space_group_crystal_system      trigonal
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-02-13
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-02-14 deposited with the CCDC.    2019-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.8165(16)
_cell_length_b                   13.8165(16)
_cell_length_c                   22.984(3)
_cell_measurement_reflns_used    5021
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.127
_cell_measurement_theta_min      1.628
_cell_volume                     3799.7(8)
_computing_cell_refinement       'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Quazar'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_detector       'Bruker APEX II'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1021
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23781
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.099
_diffrn_reflns_theta_min         1.702
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    2.502
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1374
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         5021
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0146P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0598
_reflns_Friedel_coverage         0.774
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                4108
_reflns_number_total             5021
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00217k2.cif
_cod_data_source_block           ww_a_sq
_cod_depositor_comments
'Adding full bibliography for 7049043--7049044.cif.'
_cod_original_cell_volume        3799.7(10)
_cod_database_code               7049043
_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_max   0.597
_shelx_estimated_absorpt_t_min   0.562
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.99
 0.01
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C13) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C9) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C8(H8), C10(H10), C12(H12), C14(H14)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'-x, -x+y, -z+1/3'
'x-y, -y, -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
Eu1 Eu 0.66626(3) 0.69514(3) 0.08980(2) 0.01285(8) Uani 1 1 d . .
O1 O 0.6037(4) 0.5210(3) 0.04823(18) 0.0246(13) Uani 1 1 d . U
O2 O 0.6765(4) 0.5096(4) -0.0366(2) 0.0257(12) Uani 1 1 d . .
O3 O 0.4202(5) 0.1857(4) 0.17416(18) 0.0270(11) Uani 1 1 d . .
O4 O 0.4909(5) 0.0773(5) 0.1761(2) 0.0510(17) Uani 1 1 d . .
O5 O 0.7317(4) -0.1207(4) 0.05338(19) 0.0275(13) Uani 1 1 d . .
O6 O 0.7258(5) -0.1764(4) -0.03829(19) 0.0318(12) Uani 1 1 d . .
O7 O 0.8786(5) 0.2778(5) -0.1726(2) 0.063(2) Uani 1 1 d . .
O8 O 0.9672(5) 0.1843(5) -0.1661(2) 0.0334(14) Uani 1 1 d . .
C1 C 0.6358(6) 0.4740(6) 0.0133(3) 0.0222(17) Uani 1 1 d . .
C2 C 0.6257(6) 0.3629(6) 0.0328(3) 0.0204(16) Uani 1 1 d . .
C3 C 0.5642(6) 0.3138(6) 0.0827(3) 0.0245(17) Uani 1 1 d . .
H3 H 0.530738 0.347247 0.103234 0.029 Uiso 1 1 calc R .
C4 C 0.5537(7) 0.2138(6) 0.1010(3) 0.0297(19) Uani 1 1 d . .
C5 C 0.4838(7) 0.1551(7) 0.1537(3) 0.0250(18) Uani 1 1 d . .
C6 C 0.6041(6) 0.1667(6) 0.0704(3) 0.0286(17) Uani 1 1 d . .
H6 H 0.597037 0.099915 0.083701 0.034 Uiso 1 1 calc R .
C7 C 0.6655(6) 0.2144(6) 0.0202(3) 0.0272(18) Uani 1 1 d . .
C8 C 0.6758(6) 0.3163(6) 0.0015(3) 0.0249(18) Uani 1 1 d . .
H8 H 0.716265 0.351367 -0.031878 0.030 Uiso 1 1 calc R .
C9 C 0.7201(6) 0.1593(6) -0.0122(3) 0.0280(18) Uani 1 1 d . U
C10 C 0.7138(7) 0.0606(6) 0.0085(3) 0.0277(18) Uani 1 1 d . .
H10 H 0.679922 0.031875 0.044217 0.033 Uiso 1 1 calc R .
C11 C 0.7562(6) 0.0055(6) -0.0224(3) 0.0222(17) Uani 1 1 d . .
C12 C 0.8154(6) 0.0514(6) -0.0738(3) 0.0291(19) Uani 1 1 d . .
H12 H 0.846752 0.015582 -0.094146 0.035 Uiso 1 1 calc R .
C13 C 0.8270(6) 0.1520(6) -0.0940(3) 0.0265(18) Uani 1 1 d . U
C14 C 0.7803(6) 0.2060(7) -0.0628(3) 0.0320(16) Uani 1 1 d . .
H14 H 0.789781 0.273769 -0.076213 0.038 Uiso 1 1 calc R .
C15 C 0.8958(7) 0.2070(7) -0.1477(3) 0.034(2) Uani 1 1 d . .
C16 C 0.7365(6) -0.1053(6) 0.0003(3) 0.0240(17) 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'
Eu Eu -0.1578 3.6682 '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 Eu1 59.88(11) . 4
O1 Eu1 O2 80.19(17) . 4
O1 Eu1 O3 132.35(18) . 5_665
O1 Eu1 O4 82.49(18) . 5_665
O1 Eu1 O5 135.12(15) . 1_565
O1 Eu1 O6 78.94(18) . 4_655
O1 Eu1 O7 76.95(18) . 2_655
O1 Eu1 O8 125.38(17) . 2_655
O1 Eu1 C5 108.0(2) . 5_665
O1 Eu1 C15 101.7(2) . 2_655
O1 Eu1 C16 115.31(17) . 1_565
O2 Eu1 Eu1 66.97(11) 4 4
O2 Eu1 O3 77.38(16) 4 5_665
O2 Eu1 O4 77.42(19) 4 5_665
O2 Eu1 O7 142.87(18) 4 2_655
O2 Eu1 O8 153.08(17) 4 2_655
O2 Eu1 C5 77.78(19) 4 5_665
O2 Eu1 C15 159.0(2) 4 2_655
O2 Eu1 C16 68.20(18) 4 1_565
O3 Eu1 Eu1 139.80(10) 5_665 4
O3 Eu1 O4 51.87(18) 5_665 5_665
O3 Eu1 O8 78.23(17) 5_665 2_655
O3 Eu1 C5 26.03(19) 5_665 5_665
O3 Eu1 C15 86.48(19) 5_665 2_655
O3 Eu1 C16 94.29(17) 5_665 1_565
O4 Eu1 Eu1 131.08(15) 5_665 4
O4 Eu1 O8 96.2(2) 5_665 2_655
O4 Eu1 C5 25.97(19) 5_665 5_665
O4 Eu1 C15 82.1(2) 5_665 2_655
O4 Eu1 C16 136.69(19) 5_665 1_565
O5 Eu1 Eu1 75.66(10) 1_565 4
O5 Eu1 O2 76.98(18) 1_565 4
O5 Eu1 O3 78.83(16) 1_565 5_665
O5 Eu1 O4 128.14(18) 1_565 5_665
O5 Eu1 O7 138.69(17) 1_565 2_655
O5 Eu1 O8 87.27(16) 1_565 2_655
O5 Eu1 C5 104.20(19) 1_565 5_665
O5 Eu1 C15 113.2(2) 1_565 2_655
O5 Eu1 C16 19.81(16) 1_565 1_565
O6 Eu1 Eu1 52.35(11) 4_655 4
O6 Eu1 O2 118.36(15) 4_655 4
O6 Eu1 O3 148.5(2) 4_655 5_665
O6 Eu1 O4 152.7(2) 4_655 5_665
O6 Eu1 O5 78.8(2) 4_655 1_565
O6 Eu1 O7 85.4(2) 4_655 2_655
O6 Eu1 O8 78.80(17) 4_655 2_655
O6 Eu1 C5 163.67(19) 4_655 5_665
O6 Eu1 C15 82.3(2) 4_655 2_655
O6 Eu1 C16 70.10(19) 4_655 1_565
O7 Eu1 Eu1 122.47(16) 2_655 4
O7 Eu1 O3 97.12(19) 2_655 5_665
O7 Eu1 O4 70.9(2) 2_655 5_665
O7 Eu1 O8 52.08(17) 2_655 2_655
O7 Eu1 C5 82.0(2) 2_655 5_665
O7 Eu1 C15 26.1(2) 2_655 2_655
O7 Eu1 C16 148.69(19) 2_655 1_565
O8 Eu1 Eu1 130.23(13) 2_655 4
O8 Eu1 C5 85.3(2) 2_655 5_665
O8 Eu1 C15 26.1(2) 2_655 2_655
O8 Eu1 C16 102.58(18) 2_655 1_565
C5 Eu1 Eu1 143.96(16) 5_665 4
C5 Eu1 C15 81.8(2) 5_665 2_655
C5 Eu1 C16 117.5(2) 5_665 1_565
C15 Eu1 Eu1 132.19(17) 2_655 4
C15 Eu1 C16 127.1(2) 2_655 1_565
C16 Eu1 Eu1 56.07(13) 1_565 4
C1 O1 Eu1 139.6(4) . .
C1 O2 Eu1 130.0(5) . 4
C5 O3 Eu1 93.4(5) . 5_655
C5 O4 Eu1 93.1(5) . 5_655
C16 O5 Eu1 119.3(4) . 1_545
C16 O6 Eu1 166.5(4) . 4_545
C15 O7 Eu1 95.1(5) . 3_664
C15 O8 Eu1 91.0(5) . 3_664
O1 C1 O2 126.1(6) . .
O1 C1 C2 116.9(6) . .
O2 C1 C2 117.0(6) . .
C3 C2 C1 117.2(6) . .
C8 C2 C1 120.2(6) . .
C8 C2 C3 122.6(7) . .
C2 C3 H3 120.8 . .
C2 C3 C4 118.3(7) . .
C4 C3 H3 120.8 . .
C3 C4 C5 120.1(7) . .
C6 C4 C3 119.8(7) . .
C6 C4 C5 120.1(7) . .
O3 C5 Eu1 60.5(4) . 5_655
O3 C5 C4 119.5(7) . .
O4 C5 Eu1 60.9(4) . 5_655
O4 C5 O3 121.0(7) . .
O4 C5 C4 119.5(7) . .
C4 C5 Eu1 173.5(5) . 5_655
C4 C6 H6 118.7 . .
C4 C6 C7 122.7(7) . .
C7 C6 H6 118.7 . .
C6 C7 C8 117.4(7) . .
C6 C7 C9 120.8(6) . .
C8 C7 C9 121.8(6) . .
C2 C8 C7 119.2(6) . .
C2 C8 H8 120.4 . .
C7 C8 H8 120.4 . .
C10 C9 C7 121.3(6) . .
C14 C9 C7 120.9(7) . .
C14 C9 C10 117.8(7) . .
C9 C10 H10 119.1 . .
C11 C10 C9 121.9(6) . .
C11 C10 H10 119.1 . .
C10 C11 C12 120.3(6) . .
C10 C11 C16 118.3(6) . .
C12 C11 C16 121.4(6) . .
C11 C12 H12 120.6 . .
C11 C12 C13 118.9(7) . .
C13 C12 H12 120.6 . .
C12 C13 C14 120.3(6) . .
C12 C13 C15 120.2(7) . .
C14 C13 C15 119.4(7) . .
C9 C14 C13 120.6(8) . .
C9 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
O7 C15 Eu1 58.8(4) . 3_664
O7 C15 C13 116.7(7) . .
O8 C15 Eu1 62.9(4) . 3_664
O8 C15 O7 121.5(7) . .
O8 C15 C13 121.8(7) . .
C13 C15 Eu1 173.5(6) . 3_664
O5 C16 Eu1 40.9(3) . 1_545
O5 C16 O6 125.3(6) . .
O5 C16 C11 118.9(6) . .
O6 C16 Eu1 85.1(4) . 1_545
O6 C16 C11 115.7(6) . .
C11 C16 Eu1 157.9(5) . 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 Eu1 4.1853(7) 4
Eu1 O1 2.317(4) .
Eu1 O2 2.385(5) 4
Eu1 O3 2.465(4) 5_665
Eu1 O4 2.473(5) 5_665
Eu1 O5 2.386(4) 1_565
Eu1 O6 2.321(4) 4_655
Eu1 O7 2.441(5) 2_655
Eu1 O8 2.530(5) 2_655
Eu1 C5 2.826(8) 5_665
Eu1 C15 2.842(8) 2_655
Eu1 C16 3.179(7) 1_565
O1 C1 1.245(8) .
O2 C1 1.263(8) .
O3 C5 1.242(8) .
O4 C5 1.239(9) .
O5 C16 1.235(8) .
O6 C16 1.275(7) .
O7 C15 1.253(9) .
O8 C15 1.249(9) .
C1 C2 1.539(9) .
C2 C3 1.385(9) .
C2 C8 1.362(9) .
C3 H3 0.9300 .
C3 C4 1.381(10) .
C4 C5 1.508(10) .
C4 C6 1.361(10) .
C6 H6 0.9300 .
C6 C7 1.389(9) .
C7 C8 1.409(10) .
C7 C9 1.509(8) .
C8 H8 0.9300 .
C9 C10 1.406(10) .
C9 C14 1.388(9) .
C10 H10 0.9300 .
C10 C11 1.368(9) .
C11 C12 1.395(9) .
C11 C16 1.507(9) .
C12 H12 0.9300 .
C12 C13 1.398(9) .
C13 C14 1.403(10) .
C13 C15 1.510(9) .
C14 H14 0.9300 .
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_4
Eu1 O1 C1 O2 -49.4(11) . .
Eu1 O1 C1 C2 130.1(6) . .
Eu1 O2 C1 O1 -6.4(11) 4 .
Eu1 O2 C1 C2 174.1(4) 4 .
Eu1 O3 C5 O4 -7.6(8) 5_655 .
Eu1 O3 C5 C4 172.5(6) 5_655 .
Eu1 O4 C5 O3 7.6(8) 5_655 .
Eu1 O4 C5 C4 -172.5(6) 5_655 .
Eu1 O5 C16 O6 -11.6(11) 1_545 .
Eu1 O5 C16 C11 168.3(5) 1_545 .
Eu1 O6 C16 Eu1 0(2) 4_545 1_545
Eu1 O6 C16 O5 8(3) 4_545 .
Eu1 O6 C16 C11 -172(2) 4_545 .
Eu1 O7 C15 O8 -4.5(10) 3_664 .
Eu1 O7 C15 C13 174.6(6) 3_664 .
Eu1 O8 C15 O7 4.3(9) 3_664 .
Eu1 O8 C15 C13 -174.8(7) 3_664 .
O1 C1 C2 C3 11.3(10) . .
O1 C1 C2 C8 -169.0(6) . .
O2 C1 C2 C3 -169.2(7) . .
O2 C1 C2 C8 10.6(10) . .
C1 C2 C3 C4 179.8(7) . .
C1 C2 C8 C7 180.0(7) . .
C2 C3 C4 C5 -177.7(7) . .
C2 C3 C4 C6 0.5(12) . .
C3 C2 C8 C7 -0.3(11) . .
C3 C4 C5 O3 12.9(11) . .
C3 C4 C5 O4 -167.0(8) . .
C3 C4 C6 C7 -0.9(12) . .
C4 C6 C7 C8 0.7(11) . .
C4 C6 C7 C9 179.8(7) . .
C5 C4 C6 C7 177.3(7) . .
C6 C4 C5 O3 -165.2(7) . .
C6 C4 C5 O4 14.9(12) . .
C6 C7 C8 C2 -0.1(11) . .
C6 C7 C9 C10 -2.3(11) . .
C6 C7 C9 C14 179.1(7) . .
C7 C9 C10 C11 175.4(7) . .
C7 C9 C14 C13 -177.4(7) . .
C8 C2 C3 C4 0.1(11) . .
C8 C7 C9 C10 176.8(8) . .
C8 C7 C9 C14 -1.8(11) . .
C9 C7 C8 C2 -179.3(6) . .
C9 C10 C11 C12 5.3(12) . .
C9 C10 C11 C16 -174.4(7) . .
C10 C9 C14 C13 4.0(11) . .
C10 C11 C12 C13 -2.4(11) . .
C10 C11 C16 Eu1 -11.9(17) . 1_545
C10 C11 C16 O5 -32.7(11) . .
C10 C11 C16 O6 147.2(7) . .
C11 C12 C13 C14 0.5(11) . .
C11 C12 C13 C15 176.8(7) . .
C12 C11 C16 Eu1 168.3(10) . 1_545
C12 C11 C16 O5 147.6(7) . .
C12 C11 C16 O6 -32.5(10) . .
C12 C13 C14 C9 -1.4(11) . .
C12 C13 C15 O7 161.0(8) . .
C12 C13 C15 O8 -19.9(12) . .
C14 C9 C10 C11 -6.0(12) . .
C14 C13 C15 O7 -22.7(11) . .
C14 C13 C15 O8 156.4(8) . .
C15 C13 C14 C9 -177.7(7) . .
C16 C11 C12 C13 177.3(7) . .
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.99
2 0.01
