Information card for entry 7027461

Structure parameters

• Formula: C28 H42 N2 O4 Pt Se Sn
• Calculated formula: C28 H42 N2 O4 Pt Se Sn
• SMILES: [Pt]12(C)(C)([Sn](C)(C)C(=C(C(=O)OC)[Se]1)C(=O)OC)[n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C
• 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: 30.899 ± 0.006 Å
• b: 12.156 ± 0.002 Å
• c: 17.311 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6502 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No