Crystallography Open Database

Information card for entry 4347271

Preview

Coordinates	4347271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 Cr0.33 Mn N4 O2.5
Calculated formula	C5 H7 Cr0.333333 Mn N4 O2.46667
Title of publication	Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.
Authors of publication	Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	3047 - 3057
a	13.5576 ± 0.0005 Å
b	13.5576 ± 0.0005 Å
c	8.0994 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1289.29 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
232239 (current)	2019-11-23	cif/ Adding structures of 4347267, 4347268, 4347269, 4347270, 4347271, 4347272, 4347273, 4347274, 4347275 via cif-deposit CGI script.	4347271.cif