Crystallography Open Database

Information card for entry 4083427

Preview

Coordinates	4083427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cl2 N4 O5 Ru
Calculated formula	C25 H22 Cl2 N4 O5 Ru
SMILES	[Ru]123456(Cl)([n]7n(ccc7)c7[n]1c1nc(ccc1cc7)C(=O)O)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-].OC.OC.OC
Title of publication	Synthesis and Catalytic Activity of Water-Soluble Ruthenium(II) Complexes Bearing a Naphthyridine‒Carboxylate Ligand
Authors of publication	Huang, Chang-Yao; Kuan, Kai-Yuan; Liu, Yi-Hong; Peng, Shie-Ming; Liu, Shiuh-Tzung
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	11
Pages of publication	2831
a	7.896 ± 0.0004 Å
b	13.1226 ± 0.0008 Å
c	13.8467 ± 0.0007 Å
α	83.174 ± 0.005°
β	85.479 ± 0.004°
γ	79.467 ± 0.005°
Cell volume	1398.17 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0881
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1965
Weighted residual factors for all reflections included in the refinement	0.2193
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083427.cif
119268	2014-07-05	cif/ Updating files of 4083426, 4083427 Original log message: Adding full bibliography for 4083426--4083427.cif.	4083427.cif
114652	2014-05-29	cif/ Adding structures of 4083426, 4083427 via cif-deposit CGI script.	4083427.cif