STM-based molecular detection of ?catch-and-release? of protons for bipyridine bound to phenylene?ethynylene thiolElectronic supplementary information (ESI) available: cross sectional profiles of the STM images before and after the addition of TfOH. See http://www.rsc.org/suppdata/cc/b4/b402251c/
Koyama, Emiko; Ishida, Takao; Tokuhisa, Hideo; Belaissaoui, Abdelhak; Nagawa, Yoshinobu; Kanesato, Masatoshi; Chemical Communications  (2004) 1626–1627; doi:10.1039/b402251c

data_7110275
_publ_section_title
;
 STM-based molecular detection of ?catch-and-release? of protons for
 bipyridine bound to phenylene?ethynylene thiolElectronic supplementary
 information (ESI) available: cross sectional profiles of the STM images
 before and after the addition of TfOH. See
 http://www.rsc.org/suppdata/cc/b4/b402251c/
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1626
_journal_page_last               1627
_journal_paper_doi               10.1039/b402251c
_journal_year                    2004
_chemical_formula_moiety         'C25 H24 Br F3 N2 O3 S2 '
_chemical_formula_sum            'C25 H24 Br F3 N2 O3 S2'
_chemical_formula_weight         601.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.96(7)
_cell_angle_beta                 93.25(6)
_cell_angle_gamma                106.31(5)
_cell_formula_units_Z            2
_cell_length_a                   10.500(10)
_cell_length_b                   11.15(2)
_cell_length_c                   12.58(2)
_cell_measurement_reflns_used    3103
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      4.0
_cell_volume                     1388(4)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.110
_diffrn_reflns_limit_h_max       -13
_diffrn_reflns_limit_h_min       13
_diffrn_reflns_limit_k_max       -14
_diffrn_reflns_limit_k_min       14
_diffrn_reflns_limit_l_max       -16
_diffrn_reflns_limit_l_min       16
_diffrn_reflns_number            11489
_diffrn_reflns_theta_full        27.29
_diffrn_reflns_theta_max         27.29
_exptl_absorpt_coefficient_mu    1.683
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             612.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.512
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     349
_refine_ls_number_reflns         2843
_refine_ls_R_factor_gt           0.0770
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1460
_reflns_number_gt                2389
_reflns_number_total             11489
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b402251csup1.cif
_cod_data_source_block           ek30829a
_cod_original_cell_volume        1388.4(36)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C25 H24 Br F3 N2 O3 S2 '
_cod_database_code               7110275