Information card for entry 7112722

Structure parameters

• Formula: C11 H14 Cl2 N2 O Pt
• Calculated formula: C11 H14 Cl2 N2 O Pt
• SMILES: [Pt]1(Cl)(Cl)[N]2C(C)(C)COC=2c2c([NH2]1)cccc2
• 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: 6.525 ± 0.002 Å
• b: 11.816 ± 0.003 Å
• c: 17.129 ± 0.004 Å
• α: 90°
• β: 99.99 ± 0.04°
• γ: 90°
• Cell volume: 1300.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No