Deterioration of bulk heterojunction organic photovoltaic devices by a minute amount of oxidized fullerene
Yutaka Matsuo; Ayako Ozu; Naoki Obata; Naoya Fukuda; Hideyuki Tanaka; Eiichi Nakamura; Chem.Commun. 48 (2012) 3878–; doi:10.1039/c2cc30262d

data_7107544
_publ_section_title
;
 Deterioration of bulk heterojunction organic photovoltaic devices by a
 minute amount of oxidized fullerene
;
_journal_name_full               Chem.Commun.
_journal_page_first              3878
_journal_paper_doi               10.1039/c2cc30262d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C78 H26 O2 Si2 '
_chemical_formula_sum            'C78 H26 O2 Si2'
_chemical_formula_weight         1051.23
_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                108.121(4)
_cell_angle_beta                 102.047(4)
_cell_angle_gamma                101.911(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1403(6)
_cell_length_b                   14.7265(9)
_cell_length_c                   17.2757(11)
_cell_measurement_reflns_used    10210
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.3
_cell_volume                     2293.4(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.175
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37225
_diffrn_reflns_theta_full        68.21
_diffrn_reflns_theta_max         68.21
_exptl_absorpt_coefficient_mu    1.185
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1076.00
_exptl_crystal_size_max          2.00
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.42
_refine_diff_density_min         -0.38
_refine_ls_extinction_coef       0.0050(4)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     741
_refine_ls_number_reflns         8221
_refine_ls_R_factor_gt           0.0936
_refine_ls_shift/su_max          0.0840
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2765
_reflns_number_gt                3038
_reflns_number_total             8221
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2cc30262d.txt
_cod_data_source_block           SIMEF-O2
_cod_original_cell_volume        2293.4(2)
_cod_original_formula_sum        'C78 H26 O2 Si2 '
_cod_database_code               7107544