Crystallography Open Database

Information card for entry 4107751

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Structure parameters

Formula	C176 H230 Au25 N S18
Calculated formula	C176 H230 Au25 N S18
Title of publication	Correlating the Crystal Structure of A Thiol-Protected Au25 Cluster and Optical Properties
Authors of publication	Manzhou Zhu; Christine M. Aikens; Frederick J. Hollander; George C. Schatz; Rongchao Jin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5883 - 5885
a	16.156 ± 0.003 Å
b	17.388 ± 0.003 Å
c	18.641 ± 0.003 Å
α	106.359 ± 0.003°
β	105.492 ± 0.002°
γ	90.897 ± 0.003°
Cell volume	4818.6 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.053
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4107751.cif
178823	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/77.	4107751.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107751.cif
55900	2012-05-07	cif/ Adding structures of 4107751 via cif-deposit CGI script.	4107751.cif