Information card for entry 4078279

Structure parameters

• Formula: C20 H23 B N6 O2 Pt
• Calculated formula: C20 H23 B N6 O2 Pt
• SMILES: c1ccn2[n]1[Pt]1(Cc3ccccc3)(C(=O)C)(C(=O)C)[n]3cccn3[BH]2n2ccc[n]12
• Title of publication: Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands
• Authors of publication: Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3700
• a: 9.1821 ± 0.0004 Å
• b: 9.5744 ± 0.0004 Å
• c: 12.9873 ± 0.0004 Å
• α: 85.422 ± 0.003°
• β: 84.808 ± 0.003°
• γ: 64.466 ± 0.004°
• Cell volume: 1024.95 ± 0.08 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No