Crystallography Open Database

Information card for entry 1542888

Preview

Coordinates	1542888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 N2 O4 P2 Ru
Calculated formula	C31 H34 N2 O4 P2 Ru
SMILES	[Ru]123([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C[NH2]2)OC(=O)C[NH2]3
Title of publication	Hydrogenation of Aldehydes Catalyzed by an Available Ruthenium Complex.
Authors of publication	Tan, Xuefeng; Wang, Guozhen; Zhu, Ziyue; Ren, Conghui; Zhou, Jinping; Lv, Hui; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Lina; Zhang, Xumu
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	7
Pages of publication	1518 - 1521
a	19.4893 ± 0.0016 Å
b	19.4893 ± 0.0016 Å
c	21.1331 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	8027 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
181443 (current)	2016-04-04	cif/ Updating files of 1542888 Original log message: Adding full bibliography for 1542888.cif.	1542888.cif
178262	2016-03-18	cif/ Adding structures of 1542888 via cif-deposit CGI script.	1542888.cif