Crystallography Open Database

Information card for entry 1517708

Preview

Coordinates	1517708.cif

Structure parameters

Formula	C51 H45.96 Cl0.04 N2 O7 P2 Ru
Calculated formula	C51 H43.962 Cl0.038 N2 O7 P2 Ru
SMILES	[RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cc(ccc2c2[n]1cc(cc2)C(=O)[O-])C(=O)O)C#[O].OCC.O
Title of publication	Ruthenium(II) complexes of 2,2'-bipyridine-5,5'-dicarboxylic acid: Synthesis, structure, DNA binding, cytotoxicity and antioxidant activity
Authors of publication	Thangavel Sathiya Kamatchi; Nataraj Chitrapriya; V.S. Jamal Ahamed; Surk-Sik Moon; Frank R. Fronczek; Karuppannan Natarajan
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	58 - 67
a	11.7251 ± 0.001 Å
b	16.2997 ± 0.0015 Å
c	23.166 ± 0.002 Å
α	90°
β	92.732 ± 0.005°
γ	90°
Cell volume	4422.4 ± 0.7 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	7
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	0.0704
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517708.cif
123764	2014-09-12	cif/ Adding structures of 1517708 via cif-deposit CGI script.	1517708.cif