Crystallography Open Database

Information card for entry 4083496

Preview

Coordinates	4083496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H61 Cl N6 O P2 Ru
Calculated formula	C34.5 H61 Cl N6 O P2 Ru
Title of publication	Importance of the π-Ligand: Remarkable Effect of the Cyclopentadienyl Ring on the Cytotoxicity of Ruthenium PTA Compounds
Authors of publication	Dutta, Barnali; Scolaro, Claudine; Scopelliti, Rosario; Dyson, Paul J.; Severin, Kay
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1355
a	10.1217 ± 0.0002 Å
b	11.7586 ± 0.0004 Å
c	15.8825 ± 0.0005 Å
α	94.871 ± 0.003°
β	90.261 ± 0.002°
γ	99.551 ± 0.002°
Cell volume	1857.02 ± 0.09 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0488
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4083496.cif
115506	2014-06-03	cif/ Adding structures of 4083495, 4083496 via cif-deposit CGI script.	4083496.cif