Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds.
Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram; Dalton transactions (Cambridge, England : 2003) 48 (2019) 15074–15090; doi:10.1039/c9dt03469b

data_7701151
_publ_section_title
;
 Broadband white-light emission from supramolecular piperazinium-based
 lead halide perovskites linked by hydrogen bonds.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15074
_journal_page_last               15090
_journal_paper_doi               10.1039/c9dt03469b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C8 H24 Cl12 N4 Pb4'
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_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-08-15 deposited with the CCDC.    2019-09-16 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
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_diffrn_reflns_limit_l_min       -54
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_diffrn_reflns_theta_min         1.628
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    22.450
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_diff_density_max         6.973
_refine_diff_density_min         -2.449
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.502(19)
_refine_ls_extinction_coef       0.00143(8)
_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)'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1398P)^2^+55.9169P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2414
_refine_ls_wR_factor_ref         0.2564
_reflns_Friedel_coverage         1.000
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.892
_reflns_number_gt                13169
_reflns_number_total             16722
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt03469b2.cif
_cod_data_source_block           PPbCl2_2_a
_cod_depositor_comments
'Adding full bibliography for 7701147--7701151.cif.'
_cod_original_cell_volume        6736(2)
_cod_database_code               7701151
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_shelx_res_checksum              19913