Crystallography Open Database

Information card for entry 1558735

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Coordinates	1558735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.1 H60.25 Br4 Cl2.25 Fe5
Calculated formula	C69.125 H60.25 Br4 Cl2.25 Fe5
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	11.5217 ± 0.0003 Å
b	11.6762 ± 0.0003 Å
c	23.9327 ± 0.0007 Å
α	76.369 ± 0.002°
β	88.688 ± 0.002°
γ	69.101 ± 0.003°
Cell volume	2916.48 ± 0.15 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 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	0.0791
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.861
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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