Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen
Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai; Journal of Materials Chemistry C 2 (2014) 2528–2533; doi:10.1039/C3TC32093F

data_7233662
_publ_section_title
;
 Synthesis and photocurrent responsive properties of CdS/Se clusters
 integrated with methylviologen
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2528
_journal_page_last               2533
_journal_paper_doi               10.1039/C3TC32093F
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C156 H134 Br4 Cd17 N2 S28'
_chemical_formula_weight         5165.06
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   27.0806(4)
_cell_length_b                   27.0806(4)
_cell_length_c                   86.9594(12)
_cell_measurement_reflns_used    23429
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.3914
_cell_measurement_theta_min      3.0837
_cell_volume                     55228.6(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4692
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       /w
_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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       103
_diffrn_reflns_limit_l_min       -103
_diffrn_reflns_number            92674
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    3.142
_exptl_absorpt_correction_T_max  0.5722
_exptl_absorpt_correction_T_min  0.3026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             27216
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.426
_refine_diff_density_min         -2.020
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         10804
_refine_ls_number_restraints     422
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1035
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1185P)^2^+2217.0244P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2018
_refine_ls_wR_factor_ref         0.2290
_reflns_number_gt                7589
_reflns_number_total             10804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2014-2-2528-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        55228.6(13)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               7233662