Crystallography Open Database

Information card for entry 4076203

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Structure parameters

Formula	C44 H42 N2 O4 P2 Ru
Calculated formula	C44 H42 N2 O4 P2 Ru
SMILES	[Ru]12([P](c3ncccc3)(c3ccccc3)c3ccccc3)([P](c3ncccc3)(c3ccccc3)c3ccccc3)([O]=C(C)C=C(O1)C)[O]=C(C)C=C(O2)C
Title of publication	Dramatic Rate Acceleration by a Diphenyl-2-pyridylphosphine Ligand in the Hydration of Nitriles Catalyzed by Ru(acac)2Complexes
Authors of publication	Oshiki, Toshiyuki; Yamashita, Hitoshi; Sawada, Kensuke; Utsunomiya, Masaru; Takahashi, Kazunari; Takai, Kazuhiko
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	26
Pages of publication	6287
a	10.224 ± 0.001 Å
b	10.799 ± 0.002 Å
c	17.946 ± 0.003 Å
α	75.998 ± 0.01°
β	88.433 ± 0.01°
γ	81.196 ± 0.006°
Cell volume	1899.8 ± 0.5 Å³
Cell temperature	150.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.723
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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