Crystallography Open Database

Information card for entry 7021217

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Coordinates	7021217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 Cl2 N3 Ru
Calculated formula	C21 H27 Cl2 N3 Ru
Title of publication	Wingtip substituents tailor the catalytic activity of ruthenium triazolylidene complexes in base-free alcohol oxidation.
Authors of publication	Canseco-Gonzalez, Daniel; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	20
Pages of publication	7424 - 7432
a	6.469 Å
b	20.785 Å
c	16.048 Å
α	90°
β	95.39°
γ	90°
Cell volume	2148.24 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0765
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	0.793
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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