Information card for entry 4064752

Structure parameters

• Formula: C16 H15 Cl3 N O4 Pd Re S
• Calculated formula: C16 H15 Cl3 N O4 Pd Re S
• SMILES: [Re]1234([c]56c7[n]([Pd]([c]46[cH]3[cH]2[cH]15)(Cl)[S](=O)(C)C)cccc7)(C#[O])(C#[O])C#[O].ClCCl
• 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: 9.806 ± 0.004 Å
• b: 10.001 ± 0.002 Å
• c: 11.644 ± 0.004 Å
• α: 100.81 ± 0.02°
• β: 101.79 ± 0.02°
• γ: 103.05 ± 0.02°
• Cell volume: 1055.8 ± 0.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No