Crystallography Open Database

Information card for entry 4075616

Preview

Coordinates	4075616.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2-phenyl-6-(2-amino-(3',3'-dimethyl)-propyl)pyridine,C,N,N')- [1,4-bis(diphenylphosphino)-buthane,P,P']chloro-ruthenium(II)
Formula	C44 H47 Cl N2 P2 Ru
Calculated formula	C44 H47 Cl N2 P2 Ru
SMILES	[Ru]123(Cl)([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(c4c3cccc4)cccc1[C@H]([NH2]2)C(C)(C)C
Title of publication	Terdentate RuX(CNN)(PP) (X = Cl, H, OR) Complexes: Synthesis, Properties, and Catalytic Activity in Fast Transfer Hydrogenation
Authors of publication	Baratta, Walter; Bosco, Marco; Chelucci, Giorgio; Del Zotto, Alessandro; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4611
a	12.047 ± 0.003 Å
b	15.9 ± 0.003 Å
c	21.476 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4113.7 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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