Information card for entry 4079533

Structure parameters

• Formula: C29 H22 Cl F N P Pt
• Calculated formula: C29 H22 Cl F N P Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)ccc(F)c2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Relieving Steric Strain at Octahedral Platinum(IV): Isomerization and Reductive Coupling of Alkyl and Aryl Chlorides
• Authors of publication: Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7256
• a: 9.9732 ± 0.0002 Å
• b: 10.3045 ± 0.0002 Å
• c: 13.5611 ± 0.0003 Å
• α: 77.476 ± 0.0013°
• β: 69.497 ± 0.0012°
• γ: 66.643 ± 0.0012°
• Cell volume: 1193.46 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No