Information card for entry 7025363

Structure parameters

• Formula: C23 H25 Cl4 O5 P2 Pd Re
• Calculated formula: C23 H25 Cl4 O5 P2 Pd Re
• SMILES: [Pd]1([Re]2345([P](OC)(OC)OC)([c]6([P]1(c1ccccc1)c1ccccc1)[cH]2[cH]3[cH]4[cH]56)(C#[O])C#[O])(Cl)Cl.C(Cl)Cl
• Title of publication: Heterobimetallic Re=Pd complexes bridged by eta(1):eta(5)-Ph(2)PC(5)H(4) ligand. Synthesis, electronic and crystal structure of (CO)(2)(PR(3))(eta(5)-C(5)H(4)PPh(2))Re-PdCl(2), R = Me and OMe.
• Authors of publication: Sierra, Diego; Klahn, A. Hugo; Ramirez-Tagle, Rodrigo; Arratia-Perez, Ramiro; Godoy, Fernando; Teresa Garland, Maria; Fuentealba, Mauricio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6295 - 6301
• a: 19.1773 ± 0.0006 Å
• b: 13.3897 ± 0.0004 Å
• c: 22.161 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5690.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No