Crystallography Open Database

Information card for entry 7030062

Preview

Coordinates	7030062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H47 As4 Au4 Cl O1.5
Calculated formula	C34 H47 As4 Au4 Cl O1.5
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	20.4432 ± 0.0007 Å
b	10.8953 ± 0.0005 Å
c	36.35 ± 0.0012 Å
α	90°
β	97.413 ± 0.003°
γ	90°
Cell volume	8028.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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.	7030062.cif
111376	2014-04-22	cif/ Adding structures of 7030061, 7030062 via cif-deposit CGI script.	7030062.cif