Information card for entry 4080573

Structure parameters

• Formula: C22 H23 N3 O3 Pt
• Calculated formula: C22 H23 N3 O3 Pt
• SMILES: C(=O)(C)[Pt]1(C(=O)C)[n]2ccccc2C(c2cccc[n]12)(c1ccccn1)OCC
• 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: 8.2151 ± 0.0007 Å
• b: 13.9315 ± 0.001 Å
• c: 18.5456 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2122.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No