Information card for entry 4064753

Structure parameters

• Formula: C15 H13 Cl N O4 Pt Re S
• Calculated formula: C15 H13 Cl N O4 Pt Re S
• SMILES: [Pt]1([c]23[Re]456([cH]2[cH]4[cH]5[c]36c2[n]1cccc2)(C#[O])(C#[O])C#[O])([S](=O)(C)C)Cl
• Title of publication: A New Cyclometalation Motif: Synthesis, Characterization, Structures, and Reactivity of Pallada- and Platinacycles with a Bidentate {C(sp2,cyrhetrene),N}−Ligand
• Authors of publication: Cautivo, Teresa; Klahn, Hugo; Godoy, Fernando; López, Concepción; Font-Bardía, Mercè; Calvet, Teresa; Gutierrez-Puebla, Enrique; Monge, Angeles
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5578
• a: 9.776 ± 0.003 Å
• b: 17.657 ± 0.006 Å
• c: 10.232 ± 0.008 Å
• α: 90°
• β: 99.46 ± 0.03°
• γ: 90°
• Cell volume: 1742.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No