Crystallography Open Database

Information card for entry 7028481

Preview

Coordinates	7028481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 F12 N7 O P2 Ru
Calculated formula	C38 H29 F12 N7 O P2 Ru
SMILES	c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1cccc2C(c3ccc[n]4c3c12)=Nc1ccc(cc1)OC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Development of ruthenium(ii) complexes as topical antibiotics against methicillin resistant Staphylococcus aureus.
Authors of publication	Lam, P.-L.; Lu, G.-L.; Hon, K.-M.; Lee, K.-W.; Ho, C.-L.; Wang, X.; Tang, J. C.-O.; Lam, K.-H.; Wong, R. S.-M.; Kok, S. H.-L.; Bian, Z.-X.; Li, H.; Lee, K. K.-H.; Gambari, R.; Chui, C.-H.; Wong, W.-Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	3949 - 3957
a	17.6845 ± 0.0007 Å
b	17.6845 ± 0.0007 Å
c	12.6644 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3960.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.1239
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
179990 (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 7/02/84.	7028481.cif
105336	2014-03-12	cif/ Adding structures of 7028481 via cif-deposit CGI script.	7028481.cif