Crystallography Open Database

Information card for entry 4335455

Preview

Coordinates	4335455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 F P2 Se2
Calculated formula	C30 H25 F P2 Se2
SMILES	[Se]=P([Se-])(F)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Fluorinated Phosphorus-Selenium Heteroatom Compounds: Phenylphosphonofluorodiselenoic Salts, Adducts, and Esters
Authors of publication	Guoxiong Hua; Junyi Du; Alexandra M. Z. Slawin; J. Derek Woollins
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8214 - 8217
a	9.457 ± 0.006 Å
b	11.618 ± 0.007 Å
c	14.142 ± 0.007 Å
α	111.67 ± 0.04°
β	105.41 ± 0.03°
γ	97.26 ± 0.02°
Cell volume	1347.7 ± 1.5 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4335455.cif
101384	2014-02-13	cif/ Adding structures of 4335455 via cif-deposit CGI script.	4335455.cif