Crystallography Open Database

Information card for entry 4121044

Preview

Coordinates	4121044.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMA-Mn-N3-173K
Formula	C4 H12 Mn N10
Calculated formula	C4 H12 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	6.189 ± 0.005 Å
b	13.173 ± 0.01 Å
c	6.284 ± 0.005 Å
α	90°
β	90.129 ± 0.011°
γ	90°
Cell volume	512.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.293
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.	4121044.cif
107218	2014-03-18	cif/ Adding structures of 4121044 via cif-deposit CGI script.	4121044.cif