Crystallography Open Database

Information card for entry 4073221

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Coordinates	4073221.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cp*Ru(benzamide)]Cl hydrate
Formula	C17 H24 Cl N O2 Ru
Calculated formula	C17 H24 Cl N O2 Ru
Title of publication	Facile, Near-Quantitative, Aqueous Routes to Nearly Any [Cp*Ru(η6-arene)]Cl Compound
Authors of publication	Fairchild, Robert M.; Holman, K. Travis
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	12
Pages of publication	3049
a	7.4013 ± 0.0004 Å
b	17.2203 ± 0.001 Å
c	13.4802 ± 0.0008 Å
α	90°
β	95.861 ± 0.001°
γ	90°
Cell volume	1709.11 ± 0.17 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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