Crystallography Open Database

Information card for entry 7708954

Preview

Coordinates	7708954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Mn N O6 P3
Calculated formula	C4 H16 Mn N O6 P3
Title of publication	The cation-dependent structural, magnetic and optical properties of a family of hypophosphite hybrid perovskites.
Authors of publication	Mączka, Mirosław; Stefańska, Dagmara; Gągor, Anna; Pikul, Adam
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	51
Journal issue	1
Pages of publication	352 - 360
a	9.7325 ± 0.0003 Å
b	9.1882 ± 0.0003 Å
c	13.4223 ± 0.0004 Å
α	90°
β	91.018 ± 0.003°
γ	90°
Cell volume	1200.09 ± 0.06 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
272662 (current)	2022-02-04	cif/ Updating files of 7708953, 7708954 Original log message: Adding full bibliography for 7708953--7708954.cif.	7708954.cif
270921	2021-11-30	cif/ Adding structures of 7708953, 7708954 via cif-deposit CGI script.	7708954.cif