From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.
Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.; Journal of the American Chemical Society 141 (2019) 10661–10676; doi:10.1021/jacs.9b02846

data_4127647
_publ_section_title
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 From 2D to 1D Electronic Dimensionality in Halide Perovskites with
 Stepped and Flat Layers Using Propylammonium as a Spacer.
;
_journal_issue                   27
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10661
_journal_page_last               10676
_journal_paper_doi               10.1021/jacs.9b02846
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C8 H32 I10 N4 Pb3'
_chemical_formula_weight         2075
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.474(11)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.850(4)
_cell_length_b                   8.9262(8)
_cell_length_c                   25.0700(10)
_cell_measurement_temperature    293
_cell_volume                     1967.8(9)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.82
_diffrn_measured_fraction_theta_max 0.82
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'IPDS Stoe'
_diffrn_measurement_method       '??integration method??'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1657
_diffrn_reflns_av_unetI/netI     0.0682
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            12017
_diffrn_reflns_theta_full        29.27
_diffrn_reflns_theta_max         29.27
_diffrn_reflns_theta_min         2.81
_exptl_absorpt_coefficient_mu    20.65
_exptl_crystal_density_diffrn    3.5018
_exptl_crystal_F_000             1768
_refine_diff_density_max         1.82
_refine_diff_density_min         -2.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    4.04
_refine_ls_goodness_of_fit_ref   3.23
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_constraints    68
_refine_ls_number_parameters     82
_refine_ls_number_reflns         2798
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.0863
_refine_ls_shift/su_max          0.0439
_refine_ls_shift/su_mean         0.0027
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1802
_refine_ls_wR_factor_ref         0.1820
_reflns_number_gt                1788
_reflns_number_total             2798
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja9b02846_si_009.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        1967.9(9)
_cod_database_code               4127647