Information card for entry 4077726

Structure parameters

• Formula: C18 H11 N O Pt
• Calculated formula: C18 H11 N O Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1c(ccc3)c1ccccc21)C#[O]
• Title of publication: C−H Activation Induced by Water. Monocyclometalated to Dicyclometalated: C∧N∧C Tridentate Platinum Complexes
• Authors of publication: Cave, Gareth W. V.; Fanizzi, Francesco P.; Deeth, Robert J.; Errington, William; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1355
• a: 7.3337 ± 0.0006 Å
• b: 19.1794 ± 0.0012 Å
• c: 18.9464 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2664.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No