3D Ln<sup>III</sup>-MOFs: slow magnetic relaxation and highly sensitive luminescence detection of Fe<sup>3+</sup> and ketones.
Zhao, Fei; Guo, Xiao-Yu; Dong, Zhen-Peng; Liu, Zhi-Liang; Wang, Yan-Qin; Dalton transactions (Cambridge, England : 2003) 47 (2018) 8972–8982; doi:10.1039/c8dt01034j

data_7046568
_publ_section_title
;
 3D Ln<sup>III</sup>-MOFs: slow magnetic relaxation and highly sensitive
 luminescence detection of Fe<sup>3+</sup> and ketones.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8972
_journal_page_last               8982
_journal_paper_doi               10.1039/c8dt01034j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C24 H23.5 Eu N2.5 O13'
_chemical_formula_weight         706.91
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-21 deposited with the CCDC.
2018-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                67.740(10)
_cell_angle_beta                 78.409(8)
_cell_angle_gamma                70.095(9)
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_cell_length_b                   11.1006(13)
_cell_length_c                   13.2788(12)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.6820
_cell_measurement_theta_min      3.6320
_cell_volume                     1255.7(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0975
_diffrn_reflns_av_unetI/netI     0.1534
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7709
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.246
_diffrn_reflns_theta_max         67.246
_diffrn_reflns_theta_min         3.609
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    18.564
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.752
_refine_diff_density_min         -2.134
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         4480
_refine_ls_number_restraints     1008
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1131
_refine_ls_R_factor_gt           0.0855
_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/[\s^2^(Fo^2^)+(0.1342P)^2^+1.1748P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2135
_refine_ls_wR_factor_ref         0.2450
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3353
_reflns_number_total             4480
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01034j2.cif
_cod_data_source_block           exp_8539
_cod_depositor_comments          'Adding full bibliography for 7046568.cif.'
_cod_original_formula_sum        'C24 H23.50 Eu N2.50 O13'
_cod_database_code               7046568
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.318
_shelx_estimated_absorpt_t_max   0.356
_shelx_res_checksum              21099