Crystallography Open Database

Information card for entry 4107605

Preview

Coordinates	4107605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C176 H230 Au25 N S18
Calculated formula	C176 H230 Au25 N S18
Title of publication	Crystal Structure of the Gold Nanoparticle [N(C8H17)4][Au25(SCH2CH2Ph)18]
Authors of publication	Michael W. Heaven; Amala Dass; Peter S. White; Kennedy M. Holt; Royce W. Murray
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3754 - 3755
a	16.1114 ± 0.0005 Å
b	17.3313 ± 0.0006 Å
c	18.581 ± 0.0006 Å
α	106.269 ± 0.002°
β	105.494 ± 0.002°
γ	90.959 ± 0.002°
Cell volume	4776.1 ± 0.3 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 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	0.0687
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
178822 (current)	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 4/10/76.	4107605.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107605.cif
55291	2012-05-04	cif/ Adding structures of 4107605 via cif-deposit CGI script.	4107605.cif