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_7707735
_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 H24 I4 N2 O2 Sn'
_chemical_formula_weight         830.60
_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   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                 91.19(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.341(5)
_cell_length_b                   8.8044(17)
_cell_length_c                   8.7912(17)
_cell_measurement_reflns_used    3011
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.5410
_cell_measurement_theta_min      3.4100
_cell_volume                     1264.5(5)
_computing_cell_refinement       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.867
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1213
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.867
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15559
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.867
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.550
_diffrn_reflns_theta_min         2.628
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.894
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55951
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.181
_exptl_crystal_description       plate
_exptl_crystal_F_000             752
_refine_diff_density_max         12.193
_refine_diff_density_min         -3.889
_refine_diff_density_rms         0.810
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         3368
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      2.023
_refine_ls_R_factor_all          0.1744
_refine_ls_R_factor_gt           0.1630
_refine_ls_shift/su_max          1.589
_refine_ls_shift/su_mean         0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0972P)^2^+379.5917P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3832
_refine_ls_wR_factor_ref         0.3905
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2923
_reflns_number_total             3368
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01465j2.cif
_cod_data_source_block           tffsni2_100_4_a_sq
_cod_depositor_comments
'Adding full bibliography for 7707733--7707738.cif.'
_cod_original_cell_volume        1264.6(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707735
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              28487
_shelx_hkl_checksum              81226
_shelx_fab_checksum              6187