Crystallography Open Database

Information card for entry 4121281

Preview

Coordinates	4121281.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Au23(SR)16
Formula	C128 H244 Au23 N S16
Calculated formula	C114 H176 Au23 N S16
Title of publication	Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif
Authors of publication	Anindita Das; Tao Li; Katsuyuki Nobusada; Chenjie Zeng; Nathaniel L. Rosi; Rongchao Jin
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18264 - 18267
a	33.2055 ± 0.0011 Å
b	64.785 ± 0.002 Å
c	32.7759 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	70508 ± 4 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1462
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2244
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121281.cif
107471	2014-03-19	cif/ Adding structures of 4121281 via cif-deposit CGI script.	4121281.cif