Crystallography Open Database

Information card for entry 4126967

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Coordinates	4126967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C161 H166 Ag20 N12 O35 S10
Calculated formula	C161 H166 Ag20 N12 O35 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	15.9602 ± 0.0003 Å
b	18.3264 ± 0.0005 Å
c	19.1435 ± 0.0005 Å
α	77.201 ± 0.002°
β	65.553 ± 0.002°
γ	87.6086 ± 0.0017°
Cell volume	4962.8 ± 0.2 Å³
Cell temperature	200 ± 10 K
Ambient diffraction temperature	200 ± 10 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	0.0804
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1909
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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