Crystallography Open Database

Information card for entry 7113056

Preview

Coordinates	7113056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 Cl N6 O2 Ru
Calculated formula	C28 H29 Cl N6 O2 Ru
SMILES	[Ru]12(Cl)(Oc3cccc4c3[n]1c(cc4)C)(Oc1cccc3c1[n]2c(cc3)C)[NH]=C(C#N)C#N.[NH2+]1CCCCC1
Title of publication	Addition of [CH(CN)2]- and [TCNE]˙- to Ru(VI)≡N bearing 8-quinolinolato ligands.
Authors of publication	Leung, Chi-Fai; Yiu, Shek-Man; Xiang, Jing; Lau, Tai-Chu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	40
Pages of publication	7575 - 7577
a	9.1223 ± 0.0005 Å
b	10.4936 ± 0.0006 Å
c	14.8426 ± 0.0009 Å
α	79.785 ± 0.005°
β	86.546 ± 0.005°
γ	72.825 ± 0.005°
Cell volume	1335.9 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0761
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113056.cif
112226	2014-04-30	cif/ Adding structures of 7113056, 7113057, 7113058 via cif-deposit CGI script.	7113056.cif