Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells.
Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai; Dalton transactions (Cambridge, England : 2003) 43 (2014) 4752–4761; doi:10.1039/c3dt52142g

data_7028699
_publ_section_title
;
 Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii)
 dithiocarbamates in dye sensitized TiO2 solar cells.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4752
_journal_page_last               4761
_journal_paper_doi               10.1039/c3dt52142g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C32 H28 Cu Fe2 N2 O0 S4'
_chemical_formula_weight         912.24
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                84.763(9)
_cell_angle_beta                 77.404(15)
_cell_angle_gamma                85.766(9)
_cell_formula_units_Z            1
_cell_length_a                   7.5963(13)
_cell_length_b                   11.2271(8)
_cell_length_c                   11.6787(19)
_cell_measurement_temperature    293(2)
_cell_volume                     966.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.835
_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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7244
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.16
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    1.522
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             379
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.692
_refine_diff_density_min         -0.539
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4349
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+0.3423P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                3003
_reflns_number_total             4349
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52142g.txt
_cod_data_source_block           vkscu-3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7028699