A facile, fast responsive and highly selective mercury (II) probe: characterized by the fluorescence quenching of 2,9-dimethyl-1,10-phenanthroline and two new metal-organic frameworks
Shan, Fa-Shuo; Lai, Jia-Ping; Sun, Hui; Zhang, Ping; Luo, Chong; He, Yan-Hui; Feng, Huan-Ran; RSC Adv.  (2016) –; doi:10.1039/C6RA13514E

data_7225875
_publ_section_title
;
 A facile, fast responsive and highly selective mercury (II) probe:
 characterized by the fluorescence quenching of
 2,9-dimethyl-1,10-phenanthroline and two new metal-organic frameworks
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA13514E
_journal_year                    2016
_chemical_formula_sum            'C28 H24 Cl4 Hg3 N4'
_chemical_formula_weight         1160.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-05-23 deposited with the CCDC.
2016-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 94.861(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.435(2)
_cell_length_b                   16.024(3)
_cell_length_c                   17.348(3)
_cell_measurement_reflns_used    3976
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.76
_cell_measurement_theta_min      2.98
_cell_volume                     2890.3(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6339
_diffrn_reflns_theta_full        23.80
_diffrn_reflns_theta_max         23.80
_diffrn_reflns_theta_min         2.34
_exptl_absorpt_coefficient_mu    16.293
_exptl_absorpt_correction_T_max  0.2926
_exptl_absorpt_correction_T_min  0.1391
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.666
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.294
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         2199
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0523P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                1754
_reflns_number_total             2199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra13514e2.cif
_cod_data_source_block           1
_cod_original_cell_volume        2890.2(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7225875