Crystallography Open Database

Information card for entry 1562225

Preview

Coordinates	1562225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C228 H170 Ag24.4 Au1.6 F72 N26 O17
Calculated formula	C216 H136 Ag24.4 Au1.6 F72 N24 O16
Title of publication	Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters
Authors of publication	Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
a	15.21283 ± 0.00019 Å
b	16.46205 ± 0.00018 Å
c	27.06694 ± 0.00016 Å
α	86.2278 ± 0.0007°
β	87.0958 ± 0.0007°
γ	64.9064 ± 0.0012°
Cell volume	6123.47 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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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