Information card for entry 4078276

Structure parameters

• Formula: C13 H17 B N6 O2 Pt
• Calculated formula: C13 H17 B N6 O2 Pt
• SMILES: [PtH]12([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)(C(=O)C)C(=O)C
• 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: 7.7979 ± 0.0013 Å
• b: 12.786 ± 0.003 Å
• c: 16.615 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.6 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No