Crystallography Open Database

Information card for entry 7240558

Preview

Coordinates	7240558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H13 Mn N2 O6 P3
Calculated formula	C H13 Mn N2 O6 P3
Title of publication	Novel hypophosphite hybrid perovskites of [CH3NH2NH2][Mn(H2POO)3] and [CH3NH2NH2][Mn(H2POO)2.83(HCOO)0.17] exhibiting antiferromagnetic order and red photoluminescence
Authors of publication	Mączka, Mirosław; Gągor, Anna; Pikul, Adam; Stefańska, Dagmara
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	32
Pages of publication	19020 - 19026
a	9.2009 ± 0.0006 Å
b	13.2604 ± 0.0008 Å
c	8.5408 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1042.04 ± 0.12 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257997 (current)	2020-10-06	cif/ Updating files of 7240557, 7240558, 7240559 Original log message: Adding full bibliography for 7240557--7240559.cif.	7240558.cif
252202	2020-05-20	cif/ Adding structures of 7240557, 7240558, 7240559 via cif-deposit CGI script.	7240558.cif