Information card for entry 4064725

Structure parameters

• Formula: C35 H32 Cl7 F N P Pt
• Calculated formula: C35 H32 Cl7 F N P Pt
• SMILES: [Pt]1(Cl)([n]2c(cccc2c2ccc(F)cc2)C(C)(C)C1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Reactions of a Platinum(II) Agostic Complex: Decyclometalation, Dicyclometalation, and Solvent-Switchable Formation of a Rollover Complex
• Authors of publication: Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3603
• a: 16.021 ± 0.0003 Å
• b: 16.4039 ± 0.0002 Å
• c: 15.4546 ± 0.0003 Å
• α: 90°
• β: 116.349 ± 0.002°
• γ: 90°
• Cell volume: 3639.61 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No