Crystallography Open Database

Information card for entry 7219293

7219292 << 7219293 >> 7219294

Preview

Coordinates	7219293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H104 Br5 Cl11 Co4 N8
Calculated formula	C48 H104 Br5 Cl11 Co4 N8
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	13.7347 ± 0.0015 Å
b	10.1454 ± 0.0011 Å
c	13.1412 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1831.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0815
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.2379
Weighted residual factors for all reflections included in the refinement	0.2653
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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.	7219293.cif
129608	2015-01-14	cif/ Adding structures of 7219292, 7219293, 7219294, 7219295 via cif-deposit CGI script.	7219293.cif