Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties
Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu; Journal of the American Chemical Society 133 (2011) 14010–14016; doi:10.1021/ja204034g

data_4106687
_publ_section_title
;
 Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled
 Fluorescent Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14010
_journal_page_last               14016
_journal_paper_doi               10.1021/ja204034g
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C16 H42 Cr0 N2 O23 S4 V6'
_chemical_formula_weight         1064.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 117.48
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9050(17)
_cell_length_b                   14.3684(19)
_cell_length_c                   11.9050(17)
_cell_measurement_temperature    173(2)
_cell_volume                     1806.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.894
_diffrn_measured_fraction_theta_max 0.894
_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  0.1406
_diffrn_reflns_av_sigmaI/netI    0.1171
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18227
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    1.807
_exptl_absorpt_correction_T_max  0.9478
_exptl_absorpt_correction_T_min  0.8260
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.941
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       0.047(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     233
_refine_ls_number_reflns         2966
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1175
_refine_ls_R_factor_gt           0.0781
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1008P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.1885
_reflns_number_gt                2156
_reflns_number_total             2966
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja204034g_si_001.cif
_cod_data_source_block           23
_cod_original_cell_volume        1806.6(4)
_cod_database_code               4106687