Crystallography Open Database

Information card for entry 4121045

Preview

Coordinates	4121045.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMA-Mn-N3-333K
Formula	C4 H12 Mn N10
Calculated formula	C3.96 Mn N10
Title of publication	Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds
Authors of publication	Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	16006 - 16009
a	6.4505 ± 0.0017 Å
b	6.4505 ± 0.0017 Å
c	6.4505 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	268.4 ± 0.12 Å³
Cell temperature	333 ± 2 K
Ambient diffraction temperature	333 ± 2 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.303
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
179012 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/10.	4121045.cif
107219	2014-03-18	cif/ Adding structures of 4121045 via cif-deposit CGI script.	4121045.cif