Crystallography Open Database

Information card for entry 4126968

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Coordinates	4126968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H124 Ag20 N12 O31 S10
Calculated formula	C57 H124 Ag20 N12 O31 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	24.3829 ± 0.0002 Å
b	16.30723 ± 0.00014 Å
c	31.0829 ± 0.0003 Å
α	90°
β	108.553 ± 0.0011°
γ	90°
Cell volume	11716.8 ± 0.19 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.1013
Weighted residual factors for significantly intense reflections	0.3488
Weighted residual factors for all reflections included in the refinement	0.3631
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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