Crystallography Open Database

Information card for entry 4121039

Preview

Coordinates	4121039.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TriMA-Mn-N3-298K
Formula	C3 H10 Mn N10
Calculated formula	C3 H10 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	8.464 ± 0.006 Å
b	9.324 ± 0.005 Å
c	12.882 ± 0.007 Å
α	90°
β	105.466 ± 0.014°
γ	90°
Cell volume	979.8 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4121039.cif
107213	2014-03-18	cif/ Adding structures of 4121039 via cif-deposit CGI script.	4121039.cif