Crystallography Open Database

Information card for entry 4329650

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Structure parameters

Formula	C145.5 H177 Au8 F12 O10.5 P6
Calculated formula	C145.5 H177 Au8 F12 O10.5 P6
Title of publication	Intensely Luminescent Homoleptic Alkynyl Decanuclear Gold(I) Clusters and Their Cationic Octanuclear Phosphine Derivatives
Authors of publication	Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Stanislav I. Selivanov; Janne Jänis; Matti Haukka; Tapani Pakkanen; Sergey P. Tunik; Pi-Tai Chou
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7392 - 7403
a	14.9501 ± 0.0007 Å
b	28.1633 ± 0.0012 Å
c	18.2359 ± 0.0008 Å
α	90°
β	110.183 ± 0.002°
γ	90°
Cell volume	7206.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329650.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329650.cif
78707	2013-04-02	cif/ Adding structures of 4329650 via cif-deposit CGI script.	4329650.cif