Crystallography Open Database

Information card for entry 7219292

7219291 << 7219292 >> 7219293

Preview

Coordinates	7219292.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	10.0792 ± 0.0007 Å
b	13.0655 ± 0.0009 Å
c	13.5796 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1788.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0417
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	7219292.cif
129608	2015-01-14	cif/ Adding structures of 7219292, 7219293, 7219294, 7219295 via cif-deposit CGI script.	7219292.cif