The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.
Jung, Mi-Hee; Dalton transactions (Cambridge, England : 2003) 50 (2021) 10261–10274; doi:10.1039/d1dt01465j

data_7707736
_publ_section_title
;
 The red light emission in 2D
 (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub>
 and
 (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub>
 perovskites.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10261
_journal_page_last               10274
_journal_paper_doi               10.1039/d1dt01465j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C10 H16 I4 N2 S2 Sn'
_chemical_formula_weight         854.66
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-06-16 deposited with the CCDC.	2021-06-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7730(18)
_cell_length_b                   8.6580(17)
_cell_length_c                   28.961(6)
_cell_measurement_reflns_used    33699
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.401
_cell_volume                     2199.8(8)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.830
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.1093
_diffrn_reflns_av_unetI/netI     0.0603
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.830
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            22122
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.830
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         33.555
_diffrn_reflns_theta_min         2.674
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    6.589
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.581
_exptl_crystal_description       plate
_exptl_crystal_F_000             1536
_refine_diff_density_max         4.710
_refine_diff_density_min         -9.534
_refine_diff_density_rms         1.452
_refine_ls_extinction_coef       0.175(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.208
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     89
_refine_ls_number_reflns         3767
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.210
_refine_ls_R_factor_all          0.1694
_refine_ls_R_factor_gt           0.1587
_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^)+(0.1967P)^2^+1.5687P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2828
_refine_ls_wR_factor_ref         0.2910
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3353
_reflns_number_total             3767
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01465j2.cif
_cod_data_source_block           TPMSnI2_SnO2_1_a
_cod_depositor_comments
'Adding full bibliography for 7707733--7707738.cif.'
_cod_database_code               7707736
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              25083
_shelx_hkl_checksum              36461