Crystallography Open Database

Information card for entry 7043113

Preview

Coordinates	7043113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 As2 Au2 Cl2 O8
Calculated formula	C14 H18 As2 Au2 Cl2 O8
SMILES	[Au]([As]1(C(=C([As]([Au]Cl)(C(=C1C(=O)OC)C(=O)OC)C)C(=O)OC)C(=O)OC)C)Cl
Title of publication	Control of Aurophilic Interaction: Conformations and Electron Structures of One-Dimensional Supramolecular Architectures
Authors of publication	Imoto, Hiroaki; Nishiyama, Shintaro; Yumura, Takashi; Watase, Seiji; Matsukawa, Kimihiro; Naka, Kensuke
Journal of publication	Dalton Trans.
Year of publication	2017
a	9.7958 ± 0.0003 Å
b	10.6346 ± 0.0004 Å
c	13.0215 ± 0.0004 Å
α	79.156 ± 0.0012°
β	74.787 ± 0.0009°
γ	60.7176 ± 0.001°
Cell volume	1138.83 ± 0.07 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.049
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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