Crystallography Open Database

Information card for entry 4339871

Preview

Coordinates	4339871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H35 Cl2 Co N O10 P3 Ru
Calculated formula	C17 H35 Cl2 Co N O10 P3 Ru
SMILES	[Ru]12(Cl)(Cl)(N=O)O[P]([Co]3456([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]3[cH]4[cH]5[cH]61)(OCC)OCC
Title of publication	Electrophilic ruthenium(VI) nitrido complex containing Kläui's oxygen tripodal ligand.
Authors of publication	Yi, Xiao-Yi; Lam, Tony C. H.; Sau, Yiu-Keung; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	7193 - 7198
a	9.118 ± 0.0007 Å
b	18.1771 ± 0.0014 Å
c	17.6941 ± 0.0014 Å
α	90°
β	91.041 ± 0.002°
γ	90°
Cell volume	2932.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0453
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339871.cif
117594	2014-06-15	cif/ Adding structures of 4339871 via cif-deposit CGI script.	4339871.cif