A stimuli-responsive "smart probe" for selective monitoring of multiple-cations via differential analyses.
Kumar, Anup; Singh, Alok K.; Gupta, Tarkeshwar; The Analyst 138 (2013) 3356–3359; doi:10.1039/c3an00087g

data_1514369
_publ_section_title
;
 A stimuli-responsive &quot;smart probe&quot; for selective monitoring of
 multiple-cations via differential analyses.
;
_journal_issue                   12
_journal_name_full               'The Analyst'
_journal_page_first              3356
_journal_page_last               3359
_journal_paper_doi               10.1039/c3an00087g
_journal_volume                  138
_journal_year                    2013
_chemical_formula_moiety         '2(C31 H23 N8 O2 Ru), Cl O4, 6(O)'
_chemical_formula_sum            'C62 H46 Cl N16 O14 Ru2'
_chemical_formula_weight         1476.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.057(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9067(8)
_cell_length_b                   20.3667(6)
_cell_length_c                   18.4436(7)
_cell_measurement_reflns_used    4815
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      3.2
_cell_volume                     6659.3(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31078
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_T_max  0.9349
_exptl_absorpt_correction_T_min  0.8947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2988
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.467
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         6548
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0757
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1711P)^2^+6.4067P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2285
_refine_ls_wR_factor_ref         0.2455
_reflns_number_gt                4821
_reflns_number_total             6548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3an00087g.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        6659.3(4)
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1514369