Crystallography Open Database

Information card for entry 1562224

Preview

Coordinates	1562224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H38 Ag12.4 Au0.6 F44 N13
Calculated formula	C94 H38 Ag12.4 Au0.6 F44 N12
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	15.3601 ± 0.0009 Å
b	15.6093 ± 0.0009 Å
c	15.6475 ± 0.0011 Å
α	62.885 ± 0.006°
β	67.963 ± 0.006°
γ	61.886 ± 0.006°
Cell volume	2883.2 ± 0.4 Å³
Cell temperature	100 ± 0.13 K
Ambient diffraction temperature	100 ± 0.13 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	0.112
Residual factor for significantly intense reflections	0.106
Weighted residual factors for significantly intense reflections	0.2975
Weighted residual factors for all reflections included in the refinement	0.3028
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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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