Crystallography Open Database

Information card for entry 4109620

Preview

Coordinates	4109620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H46 Cl6 Sb
Calculated formula	C42.5 H46 Cl6 Sb
Title of publication	Structural Characterization of Quaterphenyl Cation Radical: X-ray Crystallographic Evidence of Quinoidal Charge Delocalization in Poly-p-phenylene Cation Radicals
Authors of publication	Moloy Banerjee; Sergey V. Lindeman; Rajendra Rathore
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8070 - 8071
a	9.982 ± 0.0003 Å
b	17.5147 ± 0.0006 Å
c	24.8092 ± 0.0008 Å
α	99.753 ± 0.002°
β	92.355 ± 0.002°
γ	103.755 ± 0.002°
Cell volume	4137.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109620.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109620.cif
58397	2012-05-28	cif/ Adding structures of 4109620 via cif-deposit CGI script.	4109620.cif