Crystallography Open Database

Information card for entry 4124262

Preview

Coordinates	4124262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C350 H350 Au130 S50
Calculated formula	C88 Au130 S50
Title of publication	Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.
Authors of publication	Chen, Yuxiang; Zeng, Chenjie; Liu, Chong; Kirschbaum, Kristin; Gayathri, Chakicherla; Gil, Roberto R.; Rosi, Nathaniel L.; Jin, Rongchao
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	32
Pages of publication	10076 - 10079
a	25.702 ± 0.002 Å
b	41.352 ± 0.003 Å
c	42.316 ± 0.004 Å
α	85.374 ± 0.005°
β	86.233 ± 0.006°
γ	88.853 ± 0.006°
Cell volume	44726 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.2895
Residual factor for significantly intense reflections	0.2053
Weighted residual factors for significantly intense reflections	0.4925
Weighted residual factors for all reflections included in the refinement	0.5256
Goodness-of-fit parameter for all reflections included in the refinement	1.88
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4124262.cif
154658	2015-09-06	cif/ Updating files of 4124262 Original log message: Adding full bibliography for 4124262.cif.	4124262.cif
153338	2015-08-12	cif/ Adding structures of 4124262 via cif-deposit CGI script.	4124262.cif