The roles of fused-ring organic semiconductor treatment on SnO2 in enhancing perovskite solar cell performance
Ren, Lu; Liang, Lusheng; Zhang, Zhuangzhuang; Zhang, Zilong; Xiong, Qiu; Zhao, Nan; Yu, Yaming; Scopelliti, Rosario; Gao, Peng; RSC Advances 11 (2021) 3792–3800; doi:10.1039/D1RA00090J

data_7242148
_publ_section_title
;
 The roles of fused-ring organic semiconductor treatment on SnO2 in
 enhancing perovskite solar cell performance
;
_journal_issue                   7
_journal_name_full               'RSC Advances'
_journal_page_first              3792
_journal_page_last               3800
_journal_paper_doi               10.1039/D1RA00090J
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C92 H86 Cl4 N4 O2 S2'
_chemical_formula_weight         1485.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-10-12 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                70.006(2)
_cell_angle_beta                 82.420(3)
_cell_angle_gamma                76.769(2)
_cell_formula_units_Z            1
_cell_length_a                   11.2204(6)
_cell_length_b                   13.2100(6)
_cell_length_c                   14.2241(7)
_cell_measurement_temperature    200(2)
_cell_volume                     1925.33(17)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1556
_diffrn_reflns_av_unetI/netI     0.0823
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            72288
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.238
_diffrn_reflns_theta_min         2.249
_exptl_absorpt_coefficient_mu    0.261
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_F_000             782
_refine_diff_density_max         0.520
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       0.0055(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     630
_refine_ls_number_reflns         8571
_refine_ls_number_restraints     578
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1458
_refine_ls_R_factor_gt           0.0631
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0736P)^2^+2.3502P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1457
_refine_ls_wR_factor_ref         0.2026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4677
_reflns_number_total             8571
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra00090j2.cif
_cod_data_source_block           mo_idtphc6_0m_a
_cod_database_code               7242148
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              67818