The dual band and white-light emission from piperazine halide perovskites
Jung, Mi-Hee; CrystEngComm 24 (2022) 1413–1423; doi:10.1039/D1CE01296G

data_7244189
_publ_section_title
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 The dual band and white-light emission from piperazine halide perovskites
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1413
_journal_page_last               1423
_journal_paper_doi               10.1039/D1CE01296G
_journal_volume                  24
_journal_year                    2022
_chemical_formula_sum            'C24 H56 Br18 N8 Pb5'
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_space_group_name_Hall           '-I 4 2c'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-04-06 deposited with the CCDC.	2022-01-10 downloaded from the CCDC.
;
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_cell_measurement_temperature    293(2)
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_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 0.997
_diffrn_measured_fraction_theta_max 0.939
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0237
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.203
_diffrn_reflns_theta_min         2.835
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_refine_diff_density_max         7.419
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         2829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0734
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1523P)^2^+538.4642P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01296g1.cif
_cod_data_source_block           dacopbbr2_2_b_pl
_cod_depositor_comments
'Adding full bibliography for 7244189--7244190.cif.'
_cod_original_cell_volume        7551.6(5)
_cod_database_code               7244189
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              4080