Crystallography Open Database

Information card for entry 7218378

Preview

Coordinates	7218378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 Cl2 N5 P Ru
Calculated formula	C33 H32 Cl2 N5 P Ru
SMILES	[Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(cccc3c3[n]2n(c(c3)C)C)c2[n]1n(c(c2)C)C
Title of publication	Construction of Pincer-Type symmetrical Ruthenium(II) complexes bearing a Pyridyl-2,6-Pyrazolyl Arms: Catalytic Behavior in Transfer Hydrogenation of Ketones
Authors of publication	Zhu, Zhu; Zhang, Jie; Fu, Haiyan; Yuan, Maolin; Zheng, Xueli; Chen, Hua; li, ruixiang
Journal of publication	RSC Adv.
Year of publication	2014
a	12.4349 ± 0.0004 Å
b	14.1604 ± 0.0004 Å
c	21.7232 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3825.1 ± 0.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 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	0.0532
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180514 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/83.	7218378.cif
125068	2014-10-08	cif/ Adding structures of 7218377, 7218378 via cif-deposit CGI script.	7218378.cif