Crystallography Open Database

Information card for entry 4111356

Preview

Coordinates	4111356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Cl8 Ga2 P2
Calculated formula	C12 H30 Cl8 Ga2 P2
SMILES	[P+]([P+](C)(C)C(C)(C)C)(C(C)(C)C)(C)C.[Ga](Cl)(Cl)(Cl)[Cl-].[Ga](Cl)(Cl)([Cl-])Cl
Title of publication	Prototypical Phosphorus Analogues of Ethane: General and Versatile Synthetic Approaches to Hexaalkylated P-P Diphosphonium Cations
Authors of publication	Jan J. Weigand; Susanne D. Riegel; Neil Burford; Andreas Decken
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7969 - 7976
a	17.749 ± 0.002 Å
b	10.2043 ± 0.0014 Å
c	14.494 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2625.1 ± 0.6 Å³
Cell temperature	198 ± 1 K
Ambient diffraction temperature	198 ± 1 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation probe	x-ray
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
178884 (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 4/11/13.	4111356.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111356.cif
60881	2012-06-18	cif/ Adding structures of 4111356 via cif-deposit CGI script.	4111356.cif