Information card for entry 4072443

Structure parameters

• Formula: C13 H17 Cl2 F N2 O Pt S
• Calculated formula: C13 H17 Cl2 F N2 O Pt S
• SMILES: [Pt](Cl)(Cl)(=C1N(C)C=CN1Cc1ccc(F)cc1)[S](C)(=O)C
• Title of publication: Synthesis of Mixed NHC/L Platinum(II) Complexes: Restricted Rotation of the NHC Group
• Authors of publication: Newman, Christopher P.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6225
• a: 9.8204 ± 0.0008 Å
• b: 12.5661 ± 0.001 Å
• c: 20.7877 ± 0.0017 Å
• α: 97.024 ± 0.002°
• β: 91.985 ± 0.002°
• γ: 91.27 ± 0.002°
• Cell volume: 2543.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No