Crystallography Open Database

Information card for entry 4126970

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Coordinates	4126970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H147.7 Ag23 N11 O28 S10
Calculated formula	C73 H147.717 Ag23 N11 O28 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	12.7544 ± 0.0006 Å
b	18.96 ± 0.001 Å
c	29.1922 ± 0.0015 Å
α	90°
β	101.074 ± 0.0016°
γ	90°
Cell volume	6927.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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