Crystallography Open Database

Information card for entry 4113232

Preview

Coordinates	4113232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 P2
Calculated formula	C10 H10 P2
Title of publication	Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene
Authors of publication	Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15833 - 15843
a	8.484 ± 0.0001 Å
b	12.8058 ± 0.0002 Å
c	9.7203 ± 0.0002 Å
α	90°
β	115.088 ± 0.0007°
γ	90°
Cell volume	956.43 ± 0.03 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178903 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32.	4113232.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113232.cif
65655	2012-09-06	cif/ Adding structures of 4113232 via cif-deposit CGI script.	4113232.cif