Crystallography Open Database

Information card for entry 7219294

7219293 << 7219294 >> 7219295

Preview

Coordinates	7219294.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	13.778 ± 0.003 Å
b	10.235 ± 0.002 Å
c	13.238 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1866.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.49
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.	7219294.cif
129608	2015-01-14	cif/ Adding structures of 7219292, 7219293, 7219294, 7219295 via cif-deposit CGI script.	7219294.cif