A real time colorimetric ‘two in one’ kit for tracking ppb levels of uric acid and Hg2+ in live HeLa S3 cells and Hg2+ induced keto–enol tautomerism
Kumari, Chanda; Sain, Dibyendu; Kumar, Ashish; Debnath, Sushanta; Saha, Partha; Dey, Swapan; RSC Adv. 6 (2016) 62990–; doi:10.1039/C6RA06987H

data_7225803
_publ_section_title
;
 A real time colorimetric &#x2018;two in one&#x2019; kit for tracking ppb
 levels of uric acid and Hg2+ in live HeLa S3 cells and Hg2+ induced
 keto--enol tautomerism
;
_journal_issue                   67
_journal_name_full               'RSC Adv.'
_journal_page_first              62990
_journal_paper_doi               10.1039/C6RA06987H
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C36 H35 N5 O3'
_chemical_formula_weight         585.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-08-24 deposited with the CCDC.
2016-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.308(2)
_cell_angle_beta                 105.442(3)
_cell_angle_gamma                107.538(3)
_cell_formula_units_Z            8
_cell_length_a                   16.9751(5)
_cell_length_b                   20.3272(6)
_cell_length_c                   20.5345(6)
_cell_measurement_temperature    293(2)
_cell_volume                     6484.0(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0807
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            52977
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.712
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.078
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_description       block
_exptl_crystal_F_000             2480
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1585
_refine_ls_number_reflns         27747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1336
_refine_ls_R_factor_gt           0.1009
_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^)+(0.1308P)^2^+10.3075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2605
_refine_ls_wR_factor_ref         0.2843
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18598
_reflns_number_total             27747
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra06987h2.cif
_cod_data_source_block           shelxl
_cod_database_code               7225803
_shelxl_version_number           2013-4
_shelx_res_checksum              53958