Crystallography Open Database

Information card for entry 4119590

4119589 << 4119590 >> 4119591

Preview

Coordinates	4119590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H104 Al F24 O4 P2
Calculated formula	C76 H104 Al F24 O4 P2
Title of publication	Stable Tetraaryldiphosphine Radical Cation and Dication
Authors of publication	Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5561 - 5564
a	19.8548 ± 0.0014 Å
b	19.8548 ± 0.0014 Å
c	10.2313 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4033.3 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178966 (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 4/11/95.	4119590.cif
103750	2014-03-06	cif/ Adding structures of 4119590 via cif-deposit CGI script.	4119590.cif