A reusable multichannel anthraimidazoledione based receptor for Hg2+ and Cu2+ ions: Ultrasensitive, economical and facile detection of Hg2+ in real water sources through fluorescence readout
Wani, Manzoor Ahmad; Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal; New J. Chem. 41 (2017) 10000–10008; doi:10.1039/C7NJ02097J

data_7056494
_publ_section_title
;
 A reusable multichannel anthraimidazoledione based receptor for Hg2+ and
 Cu2+ ions: Ultrasensitive, economical and facile detection of Hg2+ in
 real water sources through fluorescence readout
;
_journal_issue                   18
_journal_name_full               'New J. Chem.'
_journal_page_first              10000
_journal_page_last               10008
_journal_paper_doi               10.1039/C7NJ02097J
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C25 H21 N3 O3'
_chemical_formula_sum            'C25 H21 N3 O3'
_chemical_formula_weight         411.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2016-08-29 deposited with the CCDC.
2017-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.212(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9770(12)
_cell_length_b                   27.642(4)
_cell_length_c                   9.1543(13)
_cell_measurement_reflns_used    753
_cell_measurement_temperature    255
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      3.13
_cell_volume                     1928.1(5)
_diffrn_ambient_temperature      255
_diffrn_measured_fraction_theta_full 0.994339
_diffrn_measured_fraction_theta_max 0.994339
_diffrn_measurement_device_type  'bruker apex-2'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            34919
_diffrn_reflns_theta_full        28.596730
_diffrn_reflns_theta_max         28.60
_diffrn_reflns_theta_min         0.74
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark Red'
_exptl_crystal_density_diffrn    1.4174
_exptl_crystal_description       Block
_exptl_crystal_F_000             864.4081
_refine_diff_density_max         0.492646
_refine_diff_density_min         -0.363490
_refine_diff_density_rms         0.087128
_refine_ls_d_res_high            0.742445
_refine_ls_d_res_low             13.820750
_refine_ls_goodness_of_fit_ref   1.202640
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    34
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.202640
_refine_ls_R_factor_all          0.067393
_refine_ls_R_factor_gt           0.056083
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1P)^2^+0.5614P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.178031
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              6
_reflns_limit_h_min              -10
_reflns_limit_k_max              37
_reflns_limit_k_min              0
_reflns_limit_l_max              12
_reflns_limit_l_min              -6
_reflns_number_gt                4092
_reflns_number_total             4918
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c7nj02097j2.cif
_cod_data_source_block           TRI_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7056494