Crystallography Open Database

Information card for entry 1516924

Preview

Coordinates	1516924.cif

Structure parameters

Formula	C28 H34 Cl2 N2 Ru
Calculated formula	C28 H34 Cl2 N2 Ru
SMILES	[Ru]12345(Cl)(Cl)([N]6c7c(cccc7)CN(Cc7c(C)cc(cc7C)C)C=6)[cH]6[c]5([cH]3[cH]4[c]1(C(C)C)[cH]26)C
Title of publication	Ru(II)-arene complexes with N-substituted 3,4-dihydroquinazoline ligands and catalytic activity for transfer hydrogenation reaction
Authors of publication	Deniz Mercan; Engin Cetinkaya; Ertan Sahin
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	74 - 81
a	7.3631 ± 0.0001 Å
b	13.5745 ± 0.0004 Å
c	13.7274 ± 0.0002 Å
α	87.4473 ± 0.0048°
β	74.6508 ± 0.0039°
γ	86.9204 ± 0.0054°
Cell volume	1320.55 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516924.cif
119642	2014-07-08	cif/ Adding structures of 1516924 via cif-deposit CGI script.	1516924.cif