A selective picomolar level fluorometric sensing of Cr(VI)-oxoanion in water medium by a novel metal-organic complex
Mondal, Ranjan Kumar; Dhibar, Subhendu; Mukherjee, Priyanka; Chattopadhyay, Asoke Prasun; Saha, Rajat; Dey, Biswajit; RSC Adv.  (2016) –; doi:10.1039/C6RA12819J

data_7225580
_publ_section_title
;
 A selective picomolar level fluorometric sensing of Cr(VI)-oxoanion in
 water medium by a novel metal-organic complex
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA12819J
_journal_year                    2016
_chemical_formula_sum            'C24 H38 Cu N4 O10'
_chemical_formula_weight         606.12
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-03-08 deposited with the CCDC.
2016-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                85.036(6)
_cell_angle_beta                 87.910(6)
_cell_angle_gamma                65.323(5)
_cell_formula_units_Z            2
_cell_length_a                   9.802(3)
_cell_length_b                   11.002(4)
_cell_length_c                   14.295(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1395.6(8)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 0.962
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8466
_diffrn_reflns_point_group_measured_fraction_full 0.962
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        23.924
_diffrn_reflns_theta_max         23.924
_diffrn_reflns_theta_min         1.430
_exptl_absorpt_coefficient_mu    0.843
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_F_000             638
_refine_diff_density_max         2.495
_refine_diff_density_min         -1.268
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.1263
_refine_ls_R_factor_gt           0.1143
_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^)+(0.1385P)^2^+19.7356P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3230
_refine_ls_wR_factor_ref         0.3309
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3470
_reflns_number_total             4183
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra12819j2.cif
_cod_data_source_block           shelx
_cod_database_code               7225580
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              39006