Information card for entry 7112721

Structure parameters

• Formula: C5 H12 Cl2 N2 O Pt
• Calculated formula: C5 H12 Cl2 N2 O Pt
• SMILES: [Pt](Cl)(Cl)([N]1=C(OCC1)CC)[NH3]
• Title of publication: Platinum-oxazoline complexes as anti-cancer agents: syntheses, characterisation and initial biological studies
• Authors of publication: Yadav, Paras N.; Beveridge, Ramsay E.; Blay, Jonathan; Boyd, Alaina R.; Chojnacka, Maja W.; Decken, Andreas; Deshpande, Ankur A.; Gardiner, Michael G.; Hambley, Trevor W.; Hughes, Michael J.; Jolly, Leslie; Lavangie, Jacquelyn A.; MacInnis, Timothy D.; McFarland, Sherri A.; New, Elizabeth J.; Gossage, Robert A.
• Journal of publication: MedChemComm
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 274
• a: 18.9236 ± 0.0016 Å
• b: 10.8634 ± 0.0007 Å
• c: 11.9925 ± 0.001 Å
• α: 90°
• β: 127.54 ± 0.002°
• γ: 90°
• Cell volume: 1954.8 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No