Crystallography Open Database

Information card for entry 4126971

Preview

Coordinates	4126971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H154 Ag20 N4 O21 S10
Calculated formula	C109 H154 Ag20 N4 O21 S10
Title of publication	Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.
Authors of publication	Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	13.3254 ± 0.0002 Å
b	17.0097 ± 0.0003 Å
c	17.0989 ± 0.0003 Å
α	68.069 ± 0.002°
β	76.262 ± 0.002°
γ	76.778 ± 0.002°
Cell volume	3449.91 ± 0.11 Å³
Cell temperature	220 ± 0.1 K
Ambient diffraction temperature	220 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2014
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
204711 (current)	2018-01-04	cif/ Adding structures of 4126971 via cif-deposit CGI script.	4126971.cif