Information card for entry 4080571

Structure parameters

• Formula: C21 H21 Cl2 N3 O3 Pt
• Calculated formula: C21 H21 Cl2 N3 O3 Pt
• SMILES: C(=O)(C)[Pt]1(C(=O)C)[n]2ccccc2C(c2cccc[n]12)(c1ccccn1)O.C(Cl)Cl
• 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: 8.3991 ± 0.0009 Å
• b: 15.8 ± 0.0011 Å
• c: 17.0948 ± 0.0018 Å
• α: 90°
• β: 100.741 ± 0.012°
• γ: 90°
• Cell volume: 2228.8 ± 0.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No