Crystallography Open Database

Information card for entry 4126969

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Coordinates	4126969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H234 Ag44 N23 O58.5 S20
Calculated formula	C112 H234 Ag44 N23 O58.5 S20
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	25.3829 ± 0.0004 Å
b	18.6898 ± 0.0003 Å
c	26.4246 ± 0.0004 Å
α	90°
β	103.061 ± 0.0015°
γ	90°
Cell volume	12211.5 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.058
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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