Crystallography Open Database

Information card for entry 4347268

Preview

Coordinates	4347268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 Cr0.33 Mn N4 O3
Calculated formula	C5 H7 Cr0.333333 Mn N4 O3
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	13.6093 ± 0.0005 Å
b	13.6093 ± 0.0005 Å
c	8.1609 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1309 ± 0.08 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0456
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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