Crystallography Open Database

Information card for entry 7013092

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Coordinates	7013092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H39 Cl9 N6 Ru
Calculated formula	C25 H39 Cl9 N6 Ru
Title of publication	The formation of cis- and trans-[Ru(CN)2(CNtBu)4] by reductive cleavage of isocyanide ligands; isomer separation by supramolecular interactions with various solvents
Authors of publication	Daniel Dönnecke; Wolfgang Imhof
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	13
Pages of publication	2737 - 2744
a	17.3118 ± 0.0004 Å
b	17.9529 ± 0.0005 Å
c	26.2415 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8155.8 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1528
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for all reflections	0.209
Weighted residual factors for significantly intense reflections	0.1527
Goodness-of-fit parameter for all reflections	1.042
Goodness-of-fit parameter for significantly intense reflections	1.239
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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