Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence
Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara; RSC Advances 10 (2020) 19020–19026; doi:10.1039/D0RA03397A

data_7240558
_publ_section_title
;
 Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and
 [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order
 and red photoluminescence
;
_journal_issue                   32
_journal_name_full               'RSC Advances'
_journal_page_first              19020
_journal_page_last               19026
_journal_paper_doi               10.1039/D0RA03397A
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C H13 Mn N2 O6 P3'
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_audit_update_record
;
2020-03-09 deposited with the CCDC.	2020-05-13 downloaded from the CCDC.
;
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'fine-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.893
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_exptl_crystal_size_mid          0.18
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1037
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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^)+(0.0369P)^2^+1.7075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0825
_refine_ls_wR_factor_ref         0.0829
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1014
_reflns_number_total             1037
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra03397a2.cif
_cod_data_source_block           II
_cod_depositor_comments
'Adding full bibliography for 7240557--7240559.cif.'
_cod_database_code               7240558
_shelx_shelxl_version_number     2018/3
_oxdiff_exptl_absorpt_empirical_full_min 0.847
_oxdiff_exptl_absorpt_empirical_full_max 1.368
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              68266