Crystallography Open Database

Information card for entry 4088613

Preview

Coordinates	4088613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N3 O4 Ru
Calculated formula	C24 H30 N3 O4 Ru
SMILES	[Ru]123([O]=C(O1)C)([N]1=C(OC[C@@H]1C(C)C)c1c2c(c(cc1C)C)CN1C=3N(C=C1)C(C)C)C#[O]
Title of publication	Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction
Authors of publication	Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1885
a	9.367 ± 0.004 Å
b	10.864 ± 0.004 Å
c	12.295 ± 0.005 Å
α	90°
β	105.106 ± 0.005°
γ	90°
Cell volume	1207.9 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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