Information card for entry 4064751

Structure parameters

• Formula: C31 H22 Cl N O3 P Pt Re
• Calculated formula: C31 H22 Cl N O3 P Pt Re
• SMILES: [Pt]1([c]23[Re]456([c]2(c2[n]1cccc2)[cH]4[cH]5[cH]36)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)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: 9.282 ± 0.004 Å
• b: 10.126 ± 0.003 Å
• c: 16.423 ± 0.004 Å
• α: 107.34 ± 0.02°
• β: 92.51 ± 0.02°
• γ: 104.11 ± 0.03°
• Cell volume: 1417.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No