Effects of Metal−Ion Complexation for the Self-Assembled Nanocomposite Films Composed of Gold Nanoparticles and 3,8-Bis(terthiophenyl)phenanthroline-Based Dithiols Bridging 1 μm Gap Gold Electrodes: Morphology, Temperature Dependent Electronic Conduction, and Photoresponse
Huang, Wei; Tanaka, Hirofumi; Ogawa, Takuji; Journal of Physical Chemistry C 112 (2008) 11513–; doi:10.1021/jp711635p

data_1504363
_publ_section_title
;
 Effects of Metal&#x2212;Ion Complexation for the Self-Assembled
 Nanocomposite Films Composed of Gold Nanoparticles and
 3,8-Bis(terthiophenyl)phenanthroline-Based Dithiols Bridging 1 \mm Gap
 Gold Electrodes: Morphology, Temperature Dependent Electronic Conduction,
 and Photoresponse
;
_journal_issue                   30
_journal_name_full               'Journal of Physical Chemistry C'
_journal_page_first              11513
_journal_paper_doi               10.1021/jp711635p
_journal_volume                  112
_journal_year                    2008
_chemical_formula_moiety         'C54 H50 N4 S8, C H Cl3'
_chemical_formula_sum            'C55 H51 Cl3 N4 S8'
_chemical_formula_weight         1130.83
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.08(3)
_cell_angle_beta                 80.02(3)
_cell_angle_gamma                65.63(3)
_cell_formula_units_Z            2
_cell_length_a                   13.388(3)
_cell_length_b                   13.833(3)
_cell_length_c                   16.353(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2699.7(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      373(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23585
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_exptl_absorpt_coefficient_mu    0.521
_exptl_absorpt_correction_T_max  0.9497
_exptl_absorpt_correction_T_min  0.8187
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         9401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0748
_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^)+(0.0640P)^2^+6.5674P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1647
_refine_ls_wR_factor_ref         0.1738
_reflns_number_gt                7925
_reflns_number_total             9401
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp711635p-file002.cif
_cod_data_source_block           qq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2699.7(10)
_cod_database_code               1504363