Air-processed, ultraresponsive NIR photodetectors using 2D perovskite hybrids.
Zugasti-Fernández, Dulce; Román-Román, Priscila I; Gutierrez-Avila, Mara; Gómora-Figueroa, A Paulina; Hernández-Cordero, Juan; Jancik, Vojtech; Hernández-Como, Norberto; Solis-Ibarra, Diego; Chemical science 16 (2025) 15597–15601; doi:10.1039/d5sc02348c

data_1575192
_publ_section_title
;
 Air-processed, ultraresponsive NIR photodetectors using 2D perovskite
 hybrids.
;
_journal_issue                   34
_journal_name_full               'Chemical science'
_journal_page_first              15597
_journal_page_last               15601
_journal_paper_doi               10.1039/d5sc02348c
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'I4 Pb, 2(C12 H12 N)'
_chemical_formula_sum            'C24 H24 I4 N2 Pb'
_chemical_formula_weight         1055.24
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-03-17 deposited with the CCDC.	2025-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.1220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.2091(6)
_cell_length_b                   8.9415(3)
_cell_length_c                   8.2849(2)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.51
_cell_volume                     1419.32(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0117
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            35589
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.511
_diffrn_reflns_theta_min         2.514
_diffrn_source                   'Incoatec IuS with mirrors'
_exptl_absorpt_coefficient_mu    10.308
_exptl_absorpt_correction_T_max  0.0371
_exptl_absorpt_correction_T_min  0.0148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.469
_exptl_crystal_description       prism
_exptl_crystal_F_000             952
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Acetonitrile-HI'
_exptl_crystal_size_max          0.233
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.169
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         3273
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.205
_refine_ls_R_factor_all          0.0133
_refine_ls_R_factor_gt           0.0131
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0080P)^2^+1.9290P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0302
_refine_ls_wR_factor_ref         0.0303
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3248
_reflns_number_total             3273
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc02348c2.cif
_cod_data_source_block           j00222_b
_cod_depositor_comments          'Adding full bibliography for 1575192.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1575192
_shelx_shelxl_version_number     2018/3
_exptl_absorpt_special_details
;
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10.
;
_shelx_res_checksum              4796