Crystallography Open Database

Information card for entry 4111063

Preview

Coordinates	4111063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 Cl N3 O10 Ru
Calculated formula	C21 H28 Cl N3 O10 Ru
SMILES	c12ccccc1C[N]1(C)CCC[N]3(C)Cc4ccccc4[O]4CC[O]2[Ru]134(=O)ON(=O)=O.Cl(=O)(=O)(=O)[O-]
Title of publication	Oxidation of Nitrite by atrans-Dioxoruthenium(VI) Complex: Direct Evidence for Reversible Oxygen Atom Transfer
Authors of publication	Wai-Lun Man; William W. Y. Lam; Wai-Yeung Wong; Tai-Chu Lau
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14669 - 14675
a	12.2758 ± 0.0012 Å
b	14.7281 ± 0.0014 Å
c	13.6554 ± 0.0013 Å
α	90°
β	104.403 ± 0.002°
γ	90°
Cell volume	2391.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111063.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111063.cif
60587	2012-06-15	cif/ Adding structures of 4111063 via cif-deposit CGI script.	4111063.cif