Crystallography Open Database

Information card for entry 4328261

Preview

Coordinates	4328261.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	β-Au2[1,2bis(diphenylarsine)ethane]Br2
Formula	C26 H24 As2 Au2 Br2
Calculated formula	C26 H24 As2 Au2 Br2
Title of publication	Polymorphs and Aurophilic Interactions in Colorless Crystals of Au2(μ-1,2 bis-(diphenylarsino)ethane)X2, (X = Cl, Br, I)
Authors of publication	Sang Ho Lim; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1925 - 1932
a	11.5476 ± 0.0011 Å
b	15.3861 ± 0.0014 Å
c	30.518 ± 0.003 Å
α	90°
β	100.319 ± 0.002°
γ	90°
Cell volume	5334.5 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1005
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	0.83
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
179385 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/82.	4328261.cif
77211	2013-03-24	cif/ Adding structures of 4328261 via cif-deposit CGI script.	4328261.cif