Information card for entry 4106641

Structure parameters

• Formula: C40 H22 O16 P0 Pd2 Re4 Sb2
• Calculated formula: C40 H22 O16 Pd2 Re4 Sb2
• SMILES: [Re]12([Sb]34([Re]5([Pd]674([Re]4([Sb]8([Re]([Pd]13648([H]2)[H]7)(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])[C]15=CC=CC=C1)(C#[O])(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Tetrarhena-heterocycle from the Palladium-Catalyzed Dimerization of Re2(CO)8(μ-SbPh2)(μ-H) Exhibits an Unusual Host-Guest Behavior
• Authors of publication: Richard D. Adams; William C. Pearl; Yuen Onn Wong; Qiang Zhang; Michael B. Hall; Justin R. Walensky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12994 - 12997
• a: 10.8973 ± 0.0015 Å
• b: 11.0822 ± 0.0015 Å
• c: 22.043 ± 0.003 Å
• α: 94.339 ± 0.002°
• β: 91.57 ± 0.003°
• γ: 114.493 ± 0.002°
• Cell volume: 2410.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No