Information card for entry 4080574

Structure parameters

• Formula: C27 H25 N3 O3 Pt
• Calculated formula: C27 H25 N3 O3 Pt
• SMILES: c12cccc[n]2[Pt](C(=O)C)(C(=O)C)[n]2ccccc2C1(c1ccccn1)OCc1ccccc1
• Title of publication: Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution
• Authors of publication: Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2216
• a: 14.315 ± 0.003 Å
• b: 10.7222 ± 0.0011 Å
• c: 16.602 ± 0.002 Å
• α: 90°
• β: 108.82 ± 0.02°
• γ: 90°
• Cell volume: 2412 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No