A hydrolytically stable europium‒organic framework for the selective detection of radioactive Th4+ in aqueous solution
Song, Liping; Liu, Wei; Wang, Yanlong; Chen, Lanhua; Wang, Xiao-Feng; Wang, Shuao; CrystEngComm 21 (2019) 3471–; doi:10.1039/C9CE00241C

data_7232665
_publ_section_title
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 A hydrolytically stable europium--organic framework for the selective
 detection of radioactive Th4+ in aqueous solution
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              3471
_journal_paper_doi               10.1039/C9CE00241C
_journal_volume                  21
_journal_year                    2019
_chemical_formula_sum            'C26 Eu2 N2 O18'
_chemical_formula_weight         932.20
_chemical_melting_point          ?
_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'
_audit_block_doi                 10.5517/ccdc.csd.cc2024js
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-13 deposited with the CCDC.    2019-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                80.532(3)
_cell_angle_beta                 74.179(3)
_cell_angle_gamma                74.763(3)
_cell_formula_units_Z            2
_cell_length_a                   9.1075(8)
_cell_length_b                   11.8822(11)
_cell_length_c                   15.5502(14)
_cell_measurement_reflns_used    7212
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.630
_cell_measurement_theta_min      2.138
_cell_volume                     1554.3(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'BRUKER apex II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0977
_diffrn_reflns_av_unetI/netI     0.0327
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            72714
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.630
_diffrn_reflns_theta_min         2.138
_exptl_absorpt_coefficient_mu    4.082
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.992
_exptl_crystal_description       bulk
_exptl_crystal_F_000             880
_refine_diff_density_max         2.321
_refine_diff_density_min         -3.298
_refine_diff_density_rms         0.464
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0305
_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/[\s^2^(Fo^2^)+(0.0527P)^2^+3.8550P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.1001
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6711
_reflns_number_total             7212
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ce00241c2.cif
_cod_data_source_block           'SAVE_a'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'N/A' was changed to '?' - the value
is undefined or not given.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7232665.cif.
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_cod_database_code               7232665
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              94714