Crystallography Open Database

Information card for entry 7029192

Preview

Coordinates	7029192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N4 O6 Ru2
Calculated formula	C23 H16 N4 O6 Ru2
SMILES	[Ru]123([Ru]4(N5c6[n]2c(c2[n]1cccc2)ccc6CCC5c1[n]4cccc1)([O]=CO3)(C#[O])C#[O])(C#[O])C#[O]
Title of publication	An unexpected semi-hydrogenation of a ligand in the complexation of 2,7-bispyridinyl-1,8-naphthyridine with Ru3(CO)12.
Authors of publication	Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Reddy, K. Rajender; Liu, Shin-Hung; Chou, Pi-Tai; Liu, Shiuh-Tzung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	9
Pages of publication	3557 - 3562
a	9.3648 ± 0.0005 Å
b	15.1336 ± 0.0007 Å
c	16.4997 ± 0.0011 Å
α	90°
β	104.02 ± 0.006°
γ	90°
Cell volume	2268.7 ± 0.2 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	0.0335
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179997 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91.	7029192.cif
105535	2014-03-12	cif/ Adding structures of 7029192 via cif-deposit CGI script.	7029192.cif