Crystallography Open Database

Information card for entry 4088612

Preview

Coordinates	4088612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N3 O4 Ru
Calculated formula	C24 H31 N3 O4 Ru
SMILES	c12c3c(cc(c1CN1C(N(C=C1)C(C)C)=[Ru]12([O]=C(C)O1)(C#[O])[N]1=C3OC[C@@H]1C(C)C)C)C
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	10.0305 ± 0.0005 Å
b	12.0179 ± 0.0007 Å
c	19.1095 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2303.6 ± 0.2 Å³
Cell temperature	93 ± 0.2 K
Ambient diffraction temperature	93 ± 0.2 K
Number of distinct elements	5
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	0.0199
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237701 (current)	2019-11-24	cif/ Adding structures of 4088610, 4088611, 4088612, 4088613 via cif-deposit CGI script.	4088612.cif