Crystallography Open Database

Information card for entry 7039936

Preview

Coordinates	7039936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Au P
Calculated formula	C34 H36 Au P
SMILES	[Au](C#Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A homoleptic, all-alkynyl-stabilized highly luminescent Au8Ag8 cluster with a single crystal X-ray structure.
Authors of publication	Zhang, Rui; Zhao, Chongyang; Li, Xiumin; Zhang, Zongyao; Ai, Xicheng; Chen, Hui; Cao, Rui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12772 - 12778
a	9.2356 ± 0.0006 Å
b	12.7366 ± 0.0008 Å
c	28.0258 ± 0.0019 Å
α	80.454 ± 0.002°
β	83.007 ± 0.002°
γ	69.185 ± 0.002°
Cell volume	3031.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
186426 (current)	2016-09-10	cif/ Updating files of 7039935, 7039936 Original log message: Adding full bibliography for 7039935--7039936.cif.	7039936.cif
184542	2016-07-20	cif/ Adding structures of 7039935, 7039936 via cif-deposit CGI script.	7039936.cif