Crystallography Open Database

Information card for entry 7218377

Preview

Coordinates	7218377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Cl4 N5 P Ru
Calculated formula	C44 H38 Cl4 N5 P Ru
SMILES	[Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n(c(cc3c3[n]1c(ccc3)c1[n]2n(c(c1)c1ccccc1)C)c1ccccc1)C.ClCCl
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	10.2141 ± 0.0003 Å
b	11.6147 ± 0.0004 Å
c	17.2905 ± 0.0006 Å
α	73.605 ± 0.003°
β	81.162 ± 0.003°
γ	84.055 ± 0.003°
Cell volume	1940.54 ± 0.12 Å³
Cell temperature	142.95 ± 0.1 K
Ambient diffraction temperature	142.95 ± 0.1 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 all reflections	0.0657
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7218377.cif
125068	2014-10-08	cif/ Adding structures of 7218377, 7218378 via cif-deposit CGI script.	7218377.cif