Crystallography Open Database

Information card for entry 7708474

Preview

Coordinates	7708474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H148 Ag12 N32 O40 S14
Calculated formula	C88 H148 Ag12 N32 O40 S14
Title of publication	Ensembles from Silver Clusters and Cucurbit[6]urils-contained Linkers
Authors of publication	Li, Na-Na; Yang, Ming; Xu, Xiao-Jie; Dong, Xi-Yan; Li, Si; Zang, Shuang-Quan
Journal of publication	Dalton Transactions
Year of publication	2021
a	13.9198 ± 0.0002 Å
b	14.8144 ± 0.0002 Å
c	18.0353 ± 0.0002 Å
α	79.507 ± 0.001°
β	80.77 ± 0.001°
γ	79.225 ± 0.001°
Cell volume	3561.59 ± 0.08 Å³
Cell temperature	199.99 ± 0.1 K
Ambient diffraction temperature	199.99 ± 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	0.0736
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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

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