Crystallography Open Database

Information card for entry 7112091

7112090 << 7112091 >> 7112092

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Coordinates	7112091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Au2 N6 S4
Calculated formula	C22 H16 Au2 N6 S4
Title of publication	The luminescence properties of linear vs. kinked aurophilic 1-D chains of bis(dithiocarbamato)gold(I) dimers
Authors of publication	Ryan J. Roberts; Nicolas Belanger-Desmarais; Christian Reber; Daniel B. Leznoff
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3148
a	9.8919 ± 0.0001 Å
b	10.6931 ± 0.0002 Å
c	12.7711 ± 0.0001 Å
α	81.143 ± 0.001°
β	77.83°
γ	74.36°
Cell volume	1264.82 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for all reflections	0.037
Weighted residual factors for significantly intense reflections	0.0223
Weighted residual factors for all reflections included in the refinement	0.022
Goodness-of-fit parameter for all reflections included in the refinement	1.1245
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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