Dual role of arsenite in hydrolysis and post-hydrolysis fluorescence sensing of selective pH-dependent probes.
Singh, Pushpendra; Sadhu, Kalyan K.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 13950–13959; doi:10.1039/d4dt01728e

data_7716712
_publ_section_title
;
 Dual role of arsenite in hydrolysis and post-hydrolysis fluorescence
 sensing of selective pH-dependent probes.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13950
_journal_page_last               13959
_journal_paper_doi               10.1039/d4dt01728e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C17.99 H18 N4 O3 S'
_chemical_formula_sum            'C17.99 H18 N4 O3 S'
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_chemical_name_common            Organic
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2024-05-28 deposited with the CCDC.	2024-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                95.580(9)
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_cell_angle_gamma                111.201(9)
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_cell_measurement_reflns_used    1964
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_cell_volume                     841.3(2)
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'Bruker APEX4 v2022.1-0'(Bruker AXS Inc., 2022)'
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_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker D8 QUEST photon III C7'
_diffrn_measurement_method       '\ f and \ w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        25.148
_diffrn_reflns_theta_max         25.148
_diffrn_reflns_theta_min         2.302
_diffrn_source                   'micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.220
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.99
_exptl_crystal_colour            'lusterous intense red'
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.256
_exptl_crystal_size_mid          0.030
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_refine_diff_density_max         0.540
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2978
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_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1557
_refine_ls_R_factor_gt           0.0925
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+2.3445P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1743
_refine_ls_wR_factor_ref         0.2026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1769
_reflns_number_total             2978
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           KKS_PN_2_208_0m_a
_cod_depositor_comments          'Adding full bibliography for 7716712.cif.'
_cod_database_code               7716712
_shelx_shelxl_version_number     2019/1
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_shelx_estimated_absorpt_t_max   0.998
_shelx_res_checksum              61017
_shelx_hkl_checksum              38205