Information card for entry 2008422

Structure parameters

• Chemical name: (Coumarin-3-carboxylato)triphenyltin^.^1,2-diphenylcyclopropenone
• Formula: C43 H30 O5 Sn
• Calculated formula: C43 H30 O5 Sn
• SMILES: [Sn](OC(=O)c1cc2ccccc2oc1=O)(c1ccccc1)(c1ccccc1)c1ccccc1.O=C1C(=C1c1ccccc1)c1ccccc1
• Title of publication: Coordination complexes of triphenyltin coumarin-3-carboxylate with <i>O</i>-donor ligands: (coumarin-3-carboxylato)triphenyltin‒<i>L</i> (<i>L</i> = ethanol, diphenylcyclopropenone and quinoline <i>N</i>-oxide) and bis[(coumarin-3-carboxylato)triphenyltin]‒<i>L</i> (<i>L</i> = triphenylphosphine oxide and triphenylarsine oxide)
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 523 - 531
• a: 12.712 ± 0.002 Å
• b: 19.402 ± 0.002 Å
• c: 14.456 ± 0.003 Å
• α: 90°
• β: 97.242 ± 0.009°
• γ: 90°
• Cell volume: 3537 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.126
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No