Extremely stable europium-organic framework for luminescent sensing of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and Fe<sup>3+</sup> in aqueous systems.
Gai, Yan-Li; Guo, Qin; Zhao, Xue-Yan; Chen, Yan; Liu, Shan; Zhang, Yuan; Zhuo, Chun-Xue; Yao, Cui; Xiong, Ke-Cai; Dalton transactions (Cambridge, England : 2003) 47 (2018) 12051–12055; doi:10.1039/c8dt02313a

data_7047138
_publ_section_title
;
 Extremely stable europium-organic framework for luminescent sensing of
 Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and Fe<sup>3+</sup> in aqueous
 systems.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12051
_journal_page_last               12055
_journal_paper_doi               10.1039/c8dt02313a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C22 H12 N O8.5 Sm'
_chemical_formula_weight         576.68
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-07-01 deposited with the CCDC.
2018-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                117.1020(10)
_cell_angle_beta                 99.4780(10)
_cell_angle_gamma                104.6280(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0830(7)
_cell_length_b                   11.4747(8)
_cell_length_c                   12.2880(9)
_cell_measurement_reflns_used    7462
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.59
_cell_measurement_theta_min      2.21
_cell_volume                     1158.21(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0164
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8236
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.860
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.593
_diffrn_reflns_theta_min         2.439
_exptl_absorpt_coefficient_mu    2.583
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_description       prism
_exptl_crystal_F_000             562
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.122
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5102
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0347
_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^)+(0.0604P)^2^+1.0480P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.0949
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4915
_reflns_number_total             5102
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02313a1.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7047136--7047138.cif.'
_cod_original_formula_sum        'C22 H12 N O8.50 Sm'
_cod_database_code               7047138
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.698
_shelx_estimated_absorpt_t_max   0.782
_shelx_res_checksum              93668