A hydrazine-based thiocarbamide probe for colorimetric and turn-on fluorometric detection of PO43− and AsO33− in semi-aqueous medium
Purkait, Rakesh; Maity, Suvendu; Sinha, Chittaranjan; New Journal of Chemistry 42 (2018) 6236–; doi:10.1039/C7NJ04533F

data_7057127
_publ_section_title
;
 A hydrazine-based thiocarbamide probe for colorimetric and turn-on
 fluorometric detection of PO43&#x2212; and AsO33&#x2212; in semi-aqueous
 medium
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6236
_journal_paper_doi               10.1039/C7NJ04533F
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C15 H22 N6 O S2'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-02-14 deposited with the CCDC.
2018-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.80
_cell_volume                     1865.7(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_av_unetI/netI     0.0990
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_full        24.995
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_diffrn_reflns_theta_min         2.567
_diffrn_source                   Mo
_exptl_absorpt_coefficient_mu    0.321
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_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.256
_exptl_crystal_size_mid          0.145
_exptl_crystal_size_min          0.015
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1003P)^2^+4.9693P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1786
_reflns_number_total             3281
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj04533f2.cif
_cod_data_source_block           640m_a
_cod_depositor_comments          'Adding full bibliography for 7057127.cif.'
_cod_database_code               7057127
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              69876