Information card for entry 4074275

Structure parameters

• Formula: C13 H13 Cl3 N2 O Pt
• Calculated formula: C13 H13 Cl3 N2 O Pt
• SMILES: [Pt]1(Cl)(Cl)(Cl)([n]2ccccc2c2[n]1cccc2)CC(=O)C
• Title of publication: The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†
• Authors of publication: Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4404
• a: 6.7239 ± 0.0008 Å
• b: 10.6002 ± 0.0007 Å
• c: 11.6152 ± 0.0011 Å
• α: 92.998 ± 0.006°
• β: 105.748 ± 0.009°
• γ: 106.808 ± 0.006°
• Cell volume: 755.03 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0273
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No