Crystallography Open Database

Information card for entry 7030061

Preview

Coordinates	7030061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 As2 Au2 Cl2
Calculated formula	C17 H22 As2 Au2 Cl2
Title of publication	Different solvates of the dinuclear cyclometallated gold(I) complex [Au2(μ-2-C6H4AsMe2)2]: a computational study insight into solvent-effected optical properties.
Authors of publication	Mirzadeh, Nedaossadat; Drumm, Daniel W.; Wagler, Jörg; Russo, Salvy P.; Bhargava, Suresh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	12883 - 12890
a	9.3156 ± 0.0003 Å
b	11.3309 ± 0.0004 Å
c	11.4462 ± 0.0004 Å
α	87.536 ± 0.003°
β	67.466 ± 0.003°
γ	68.565 ± 0.003°
Cell volume	1032.12 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7030061.cif
111376	2014-04-22	cif/ Adding structures of 7030061, 7030062 via cif-deposit CGI script.	7030061.cif