Information card for entry 4104596

Structure parameters

• Formula: C17 H22 B F4 N3 O Pt
• Calculated formula: C17 H22 B F4 N3 O Pt
• SMILES: C1(OC=CN1C)=[Pt]1(C)(C)(C)[n]2ccccc2c2cccc[n]12.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions
• Authors of publication: Ronald Lindner; Christoph Wagner; Dirk Steinborn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8861 - 8874
• a: 8.4311 ± 0.0007 Å
• b: 12.433 ± 0.003 Å
• c: 19.0694 ± 0.0016 Å
• α: 90°
• β: 96.35 ± 0.007°
• γ: 90°
• Cell volume: 1986.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No