Crystallography Open Database

Information card for entry 7039363

Preview

Coordinates	7039363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 O5 Pt S2
Calculated formula	C11 H16 O5 Pt S2
SMILES	[Pt]1([S](=O)(C)C)([S](=O)(C)C)OC(=O)c2c(O1)cccc2
Title of publication	Bis(dimethylsulfoxide)carbonateplatinum(ii), a new synthon for a low-impact, versatile synthetic route to anticancer Pt carboxylates.
Authors of publication	Bergamini, Paola; Marvelli, Lorenza; Ferretti, Valeria; Gemmo, Chiara; Gambari, Roberto; Hushcha, Yekatsiaryna; Lampronti, Ilaria
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	26
Pages of publication	10752 - 10760
a	14.6904 ± 0.0002 Å
b	19.753 ± 0.0004 Å
c	10.1449 ± 0.0004 Å
α	90°
β	95.117 ± 0.0012°
γ	90°
Cell volume	2932.11 ± 0.14 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
185336 (current)	2016-08-07	cif/ Updating files of 7039362, 7039363, 7039364 Original log message: Adding full bibliography for 7039362--7039364.cif.	7039363.cif
183197	2016-06-01	cif/ Adding structures of 7039362, 7039363, 7039364 via cif-deposit CGI script.	7039363.cif