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_7240557
_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            'C1.17 H12.84 Mn N2 O6 P2.83'
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_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-03-09 deposited with the CCDC.	2020-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_ambient_temperature      295(2)
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_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas'
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_unetI/netI     0.0202
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_diffrn_reflns_point_group_measured_fraction_max 0.904
_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.827
_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_coefficient_mu    1.657
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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    1.821
_exptl_crystal_description       prism
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         1399
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0369
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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^)+(0.0471P)^2^+1.8779P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.1063
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1111
_reflns_number_total             1399
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra03397a2.cif
_cod_data_source_block           III
_cod_depositor_comments
'Adding full bibliography for 7240557--7240559.cif.'
_cod_database_code               7240557
_shelx_shelxl_version_number     2018/3
_oxdiff_exptl_absorpt_empirical_full_min 0.971
_oxdiff_exptl_absorpt_empirical_full_max 1.050
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              48410