Crystallography Open Database

Information card for entry 7219295

7219294 << 7219295 >> 7219296

Preview

Coordinates	7219295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H26 Br Cl3 Mn N2
Calculated formula	C12 H26 Br Cl3 Mn N2
Title of publication	Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)
Authors of publication	chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen
Journal of publication	RSC Adv.
Year of publication	2015
a	10.1863 ± 0.0008 Å
b	13.1566 ± 0.0011 Å
c	13.6378 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1827.7 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219295.cif
129608	2015-01-14	cif/ Adding structures of 7219292, 7219293, 7219294, 7219295 via cif-deposit CGI script.	7219295.cif