Crystallography Open Database

Information card for entry 4335456

Preview

Coordinates	4335456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 F N2 P Se2
Calculated formula	C27 H30 F N2 P Se2
SMILES	[Se]=P([Se-])(F)c1ccccc1.n1(c[n+](cc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
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	11.596 ± 0.005 Å
b	15.549 ± 0.006 Å
c	15.368 ± 0.007 Å
α	90°
β	106.325 ± 0.011°
γ	90°
Cell volume	2659 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	4335456.cif
101385	2014-02-13	cif/ Adding structures of 4335456 via cif-deposit CGI script.	4335456.cif