3D Lanthanide Metal‒Organic Frameworks Based on Mono-, Tri-, and Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive Luminescent Sensor for Fe3+ and Cu2+ Ions
Zhang, Huijie; Fan, Ruiqing; Chen, Wei; Fan, Jizhuang; Dong, Yuwei; Song, Yang; Du, Xi; Wang, Ping; Yang, Yulin; Crystal Growth & Design 16 (2016) 5429–; doi:10.1021/acs.cgd.6b00903

data_4516580
_publ_section_title
;
 3D Lanthanide Metal--Organic Frameworks Based on Mono-, Tri-, and
 Heterometallic Tetranuclear Clusters as Highly Selective and Sensitive
 Luminescent Sensor for Fe3+ and Cu2+ Ions
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5429
_journal_paper_doi               10.1021/acs.cgd.6b00903
_journal_volume                  16
_journal_year                    2016
_chemical_formula_sum            'C32 H12 Eu2 K2 O29'
_chemical_formula_weight         1242.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                100.291(10)
_cell_angle_beta                 105.884(9)
_cell_angle_gamma                95.927(9)
_cell_formula_units_Z            2
_cell_length_a                   11.072(3)
_cell_length_b                   12.676(4)
_cell_length_c                   16.022(5)
_cell_measurement_reflns_used    7579
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.512
_cell_measurement_theta_min      3.128
_cell_volume                     2100.3(11)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1100
_diffrn_reflns_av_unetI/netI     0.1404
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17114
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.512
_diffrn_reflns_theta_min         3.128
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.258
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.090
_refine_diff_density_max         2.485
_refine_diff_density_min         -2.200
_refine_diff_density_rms         0.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         7579
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0686
_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^)+(0.0959P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.1936
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4866
_reflns_number_total             7579
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cg6b00903_si_003.cif
_cod_data_source_block           z3
_cod_database_code               4516580
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.592
_shelx_estimated_absorpt_t_max   0.758
_shelx_hkl_checksum              92863