Aza-crown-ether-appended xanthene: selective ratiometric fluorescent probe for silver(i) ion based on arene-metal ion interaction.
Takashima, Ippei; Kanegae, Anna; Sugimoto, Manabu; Ojida, Akio; Inorganic chemistry 53 (2014) 7080–7082; doi:10.1021/ic500980j

data_4340439
_publ_section_title
;
 Aza-crown-ether-appended xanthene: selective ratiometric fluorescent
 probe for silver(i) ion based on arene-metal ion interaction.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7080
_journal_page_last               7082
_journal_paper_doi               10.1021/ic500980j
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C26 H32 Ag Cl N2 O7'
_chemical_formula_sum            'C26 H32 Ag Cl N2 O7'
_chemical_formula_weight         627.87
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.1040(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.3278(13)
_cell_length_b                   8.8893(11)
_cell_length_c                   26.418(4)
_cell_measurement_temperature    91
_cell_volume                     2423.7(6)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      91
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Unknown CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            12508
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.992
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1288.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.110
_refine_ls_extinction_coef       0.0005(2)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5267
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0199P)^2^+5.1086P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                5163
_reflns_number_total             5268
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic500980j_si_002.cif
_cod_data_source_block           Ojida140304_0m
_cod_depositor_comments          'Adding full bibliography for 4340439.cif.'
_cod_database_code               4340439