Crystallography Open Database

Information card for entry 4068631

Preview

Coordinates	4068631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 N2 O2 Ru
Calculated formula	C19 H12 N2 O2 Ru
SMILES	[Ru]1234(C#[O])(C#[O])(C#Cc5ccc(nc5)c5ncccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
Authors of publication	Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2195
a	10.505 ± 0.001 Å
b	11.613 ± 0.002 Å
c	13.989 ± 0.002 Å
α	90°
β	109.014 ± 0.003°
γ	90°
Cell volume	1613.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0553
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4068631.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068631.cif
39902	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068631, 4068632, 4068633, 4068634, 4068635, 4068636, 4068637, 4068638 via cif-deposit CGI script.	4068631.cif