Crystallography Open Database

Information card for entry 1517748

Preview

Coordinates	1517748.cif

Structure parameters

Formula	C24 H20 F6 N7 O5 P Ru
Calculated formula	C24 H20 F6 N7 O5 P Ru
SMILES	[Ru]123(OC4NC(=O)NC(=O)C=4[N]1=O)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].O
Title of publication	Reversible and pH dependent photophysical properties of mixed-ligand Ru(II) complexes containing 2,2'-bipyridine and nitrosobarbiturate: Experimental and theoretical approach
Authors of publication	Namrata Dixit; Stanislav Zalis; Biswajit Maiti; Lallan Mishra
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	404
Pages of publication	123 - 130
a	22.307 ± 0.003 Å
b	14.9475 ± 0.0013 Å
c	16.772 ± 0.0014 Å
α	90°
β	102.34 ± 0.011°
γ	90°
Cell volume	5463.2 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
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.	1517748.cif
123858	2014-09-16	cif/ Adding structures of 1517748 via cif-deposit CGI script.	1517748.cif