Development of a selective and sensitive Ga3+ sensor for environmental safety: a comparative study of cyclohexyl and aromatic bis-sulphonamide fabricated glassy carbon electrodes
Sheikh, Tahir Ali; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Rahman, Mohammed M.; New Journal of Chemistry 42 (2018) 13589–; doi:10.1039/C8NJ02255K

data_7057555
_publ_section_title
;
 Development of a selective and sensitive Ga3+ sensor for environmental
 safety: a comparative study of cyclohexyl and aromatic bis-sulphonamide
 fabricated glassy carbon electrodes
;
_journal_issue                   16
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13589
_journal_paper_doi               10.1039/C8NJ02255K
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C22 H30 N2 O8 S2'
_chemical_formula_sum            'C22 H30 N2 O8 S2'
_chemical_formula_weight         514.60
_chemical_name_common
N,N'-(cyclohexane-1,2-diyl)bis(2,5-dimethoxybenzenesulfonamide)
_chemical_name_systematic
N,N'-(cyclohexane-1,2-diyl)bis(2,5-dimethoxybenzenesulfonamide)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2017-06-11
_audit_creation_method
;
  Olex2 1.2-ac2
  (compiled 2012.03.27 svn.r2268, GUI svn.r4156)
;
_audit_update_record
;
2017-06-13 deposited with the CCDC.
2018-07-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.400(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2975(9)
_cell_length_b                   20.6352(18)
_cell_length_c                   12.8103(9)
_cell_measurement_reflns_used    2483
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.4710
_cell_measurement_theta_min      2.9434
_cell_volume                     2424.7(4)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas, CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_unetI/netI     0.1283
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.893
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14872
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.893
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.536
_diffrn_reflns_theta_min         2.971
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.270
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 96)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         6050
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1541
_refine_ls_R_factor_gt           0.0613
_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^)+(0.0317P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1067
_refine_ls_wR_factor_ref         0.1458
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2694
_reflns_number_total             6050
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj02255k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7057555--7057556.cif.'
_cod_database_code               7057555
_shelx_res_checksum              48086
_shelx_shelxl_version_number     2014/7