Information card for entry 4072442

Structure parameters

• Formula: C22 H22 Cl2 F2 N4 Pt
• Calculated formula: C22 H22 Cl2 F2 N4 Pt
• SMILES: [Pt](Cl)(Cl)(=C1N(C)C=CN1Cc1ccc(F)cc1)=C1N(C)C=CN1Cc1ccc(F)cc1
• 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: 9.589 ± 0.004 Å
• b: 15.738 ± 0.008 Å
• c: 7.515 ± 0.004 Å
• α: 90°
• β: 94.401 ± 0.011°
• γ: 90°
• Cell volume: 1130.8 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No