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_7707733
_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           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-04-04 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                   28.881(6)
_cell_length_b                   8.7090(17)
_cell_length_c                   8.6380(17)
_cell_measurement_temperature    293(2)
_cell_volume                     2172.7(8)
_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 0.944
_diffrn_measured_fraction_theta_max 0.793
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.1050
_diffrn_reflns_av_unetI/netI     0.0814
_diffrn_reflns_Laue_measured_fraction_full 0.944
_diffrn_reflns_Laue_measured_fraction_max 0.793
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8181
_diffrn_reflns_point_group_measured_fraction_full 0.948
_diffrn_reflns_point_group_measured_fraction_max 0.794
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         32.999
_diffrn_reflns_theta_min         1.389
_exptl_absorpt_coefficient_mu    6.672
_exptl_crystal_density_diffrn    2.613
_exptl_crystal_F_000             1536
_refine_diff_density_max         4.898
_refine_diff_density_min         -2.775
_refine_diff_density_rms         0.368
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.7(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.599
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         3123
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.606
_refine_ls_R_factor_all          0.1271
_refine_ls_R_factor_gt           0.0928
_refine_ls_shift/su_max          1.915
_refine_ls_shift/su_mean         0.123
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2535
_refine_ls_wR_factor_ref         0.2790
_reflns_Friedel_coverage         0.892
_reflns_Friedel_fraction_full    0.954
_reflns_Friedel_fraction_max     0.795
_reflns_number_gt                2009
_reflns_number_total             3123
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01465j2.cif
_cod_data_source_block           tpmsni2_4_d_pl
_cod_depositor_comments
'Adding full bibliography for 7707733--7707738.cif.'
_cod_database_code               7707733
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              69122
_shelx_hkl_checksum              56149