Information card for entry 7005811

Structure parameters

• Formula: C16 H12 Cl F N2 Pt
• Calculated formula: C16 H12 Cl F N2 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)ccc(F)c2)(Cl)[n]1ccccc1
• Title of publication: Cyclometallated platinum(II) complexes: oxidation to, and C-H activation by, platinum(IV).
• Authors of publication: Newman, Christopher P.; Casey-Green, Katherine; Clarkson, Guy J.; Cave, Gareth W. V.; Errington, W.; Rourke, Jonathan P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 29
• Pages of publication: 3170 - 3182
• a: 8.57 ± 0.005 Å
• b: 18.793 ± 0.01 Å
• c: 10.005 ± 0.005 Å
• α: 90°
• β: 114.085 ± 0.014°
• γ: 90°
• Cell volume: 1471.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No