Crystallography Open Database

Information card for entry 7701959

7701958 << 7701959 >> 7701960

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Coordinates	7701959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Au Cl N P
Calculated formula	C39 H32 Au Cl N P
Title of publication	A Highly Stable, Au/Ru Heterobimetallic Photoredox Catalyst with a [2.2]Paracyclophane Backbone
Authors of publication	Knoll, Daniel M.; Zippel, Christoph; HASSAN, ZAHID; Nieger, Martin; Weis, Patrick; Kappes, Manfred; Bräse, Stefan
Journal of publication	Dalton Transactions
Year of publication	2019
a	9.9785 ± 0.0004 Å
b	13.0028 ± 0.0005 Å
c	15.0193 ± 0.0005 Å
α	114.068 ± 0.001°
β	104.088 ± 0.001°
γ	97.102 ± 0.001°
Cell volume	1670.23 ± 0.11 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0296
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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