Fluorescent detection of multiple ions by two related chemosensors: structural elucidations and logic gate applications
Kumar, Vijay; Kumar, Pramod; Gupta, Rajeev; RSC Adv. 7 (2017) 23127–; doi:10.1039/C7RA01453H

data_7228120
_publ_section_title
;
 Fluorescent detection of multiple ions by two related chemosensors:
 structural elucidations and logic gate applications
;
_journal_issue                   37
_journal_name_full               'RSC Adv.'
_journal_page_first              23127
_journal_paper_doi               10.1039/C7RA01453H
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety         'C40 H38 Cd N4 O8 S2'
_chemical_formula_sum            'C40 H38 Cd N4 O8 S2'
_chemical_formula_weight         879.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-03 deposited with the CCDC.
2017-04-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.692(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2629(5)
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_cell_length_c                   23.5572(6)
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_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.0390
_cell_measurement_theta_min      3.4100
_cell_volume                     3826.94(19)
_computing_cell_refinement       'CrysAlisPro, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlisPro, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlisPro, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    'WinGx v2014.1'
_computing_publication_material  'WinGx v2014.1'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 15.9853
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            3382
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         25.001
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_refine_ls_shift/su_max          0.031
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+99.8654P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           L2-Cd
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_shelx_shelxl_version_number     2014/7
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