Crystallography Open Database

Information card for entry 4335408

Preview

Coordinates	4335408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H20 P2 Se3
Calculated formula	C9 H20 P2 Se3
Title of publication	Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction
Authors of publication	Philip J. W. Elder; Tristram Chivers
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7791 - 7804
a	8.041 ± 0.0002 Å
b	18.8488 ± 0.0006 Å
c	19.2235 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2913.58 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335408.cif
101336	2014-02-11	cif/ Adding structures of 4335408 via cif-deposit CGI script.	4335408.cif