Information card for entry 4067253

Structure parameters

• Formula: C39 H35 B2 F8 N P2 Pt
• Calculated formula: C39 H35 B2 F8 N P2 Pt
• SMILES: [Pt]123([P](Cc4[n]2c(ccc4)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH2]=[CH]3c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Structural Investigations of Platinum(II) Styrene and Styryl Complexes and Mechanistic Study of Vinylic Deprotonation
• Authors of publication: Hahn, Christine
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1331
• a: 13.684 ± 0.003 Å
• b: 11.966 ± 0.003 Å
• c: 22.42 ± 0.006 Å
• α: 90°
• β: 96.02 ± 0.015°
• γ: 90°
• Cell volume: 3650.9 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No