Information card for entry 4111386

Structure parameters

• Formula: C56 H74 O8 P2 Pd2 Re2 Sn2
• Calculated formula: C56 H74 O8 P2 Pd2 Re2 Sn2
• SMILES: C(#[O])[Re]123(C#[O])(C#[O])C(=O)[Pd]1([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Sn]3(c1ccccc1)(c1ccccc1)[Re]13(C#[O])(C#[O])(C#[O])C(=O)[Pd]1([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Sn]23(c1ccccc1)c1ccccc1
• Title of publication: New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds
• Authors of publication: Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 488 - 489
• a: 10.8119 ± 0.0007 Å
• b: 12.4429 ± 0.0008 Å
• c: 12.9946 ± 0.0008 Å
• α: 80.117 ± 0.001°
• β: 68.988 ± 0.001°
• γ: 71.927 ± 0.001°
• Cell volume: 1547.82 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No