Crystallography Open Database

Information card for entry 1558738

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Coordinates	1558738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C247 H128 Al6 Au6 Cl13 F216 Fe6 O24 P6
Calculated formula	C215 H128 Al4 Au6 Cl13 F144 Fe6 O16 P6
Title of publication	Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis
Authors of publication	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie
Journal of publication	Chemical Science
Year of publication	2020
a	19.44 ± 0.0003 Å
b	25.6696 ± 0.0005 Å
c	35.2564 ± 0.0007 Å
α	103.677 ± 0.002°
β	96.218 ± 0.002°
γ	108.488 ± 0.002°
Cell volume	15888.5 ± 0.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1705
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2241
Weighted residual factors for all reflections included in the refinement	0.277
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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