Crystallography Open Database

Information card for entry 4066781

Preview

Coordinates	4066781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H40 Cl2 N P Ru
Calculated formula	C33 H40 Cl2 N P Ru
SMILES	[c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([P](c1ccccc1)(c1ccccc1)c1ccc(cc1)CNC(C)(C)C)(Cl)Cl)C(C)C)C
Title of publication	Arene−Ruthenium(II) Complexes Containing Amino−Phosphine Ligands as Catalysts for Nitrile Hydration Reactions
Authors of publication	García-Álvarez, Rocío; Díez, Josefina; Crochet, Pascale; Cadierno, Victorio
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3955
a	11.637 Å
b	19.735 Å
c	13.992 Å
α	90°
β	106.73°
γ	90°
Cell volume	3077.33 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0417
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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