Information card for entry 4332697

Structure parameters

• Formula: C40 H38 Cl10 P2 Pd2
• Calculated formula: C40 H38 Cl10 P2 Pd2
• SMILES: C12c3c4cccc3C(c3c1c(ccc3)[P](C(C)C)(C(C)C)[Pd]1([Cl][Pd]([Cl]1)(Cl)[P]4(c1ccccc1)c1ccccc1)Cl)c1c2cccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction
• Authors of publication: Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7010 - 7017
• a: 11.3101 ± 0.0008 Å
• b: 15.7573 ± 0.0012 Å
• c: 24.744 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4409.8 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No