Information card for entry 7027462

Structure parameters

• Formula: C30 H40 N2 O6 Pt
• Calculated formula: C30 H40 N2 O6 Pt
• SMILES: [Pt]1([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)(C#CC(=O)OC)(C)(C)C(=C\C(=O)OC)\C(=O)OC
• Title of publication: Easy ring expansion and contraction in Pt‒Sn bonded metallacycles
• Authors of publication: Janzen, Michael C.; Jenkins, Hilary A.; Jennings, Michael C.; Rendina, Louis M.; Puddephatt, Richard J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1713
• a: 10.2375 ± 0.0006 Å
• b: 16.035 ± 0.001 Å
• c: 18.8895 ± 0.0012 Å
• α: 90°
• β: 102.624 ± 0.003°
• γ: 90°
• Cell volume: 3025.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No