Information card for entry 4314618

Structure parameters

• Formula: C40 H78 F12 N2 P4 Re6 Sb2 Se8
• Calculated formula: C40 H78 F12 N2 P4 Re6 Sb2 Se8
• SMILES: [Re]1234567([Re]89%10%11%12%13([Re]%14%15%16%17%18%19([Re]%20%21%22%231([Re]28%14([Se]4%10)([Se]%11%16)([Se]%17%20)([Se]5%21)[P](CC)(CC)CC)([Re]39%15([Se]%12%18)([Se]%19%22)([Se]6%23)([Se]7%13)[P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC)[N](=CC)c1ccccc1)[N](=CC)c1ccccc1.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Cluster-Bound Nitriles Do Not Click with Organic Azides: Unexpected Formation of Imino Complexes of the [Re6(μ3-Se)8]2+ Core-Containing Clusters
• Authors of publication: Xiaoyan Tu; Ethan Boroson; Huong Truong; Alvaro Muñoz-Castro; Ramiro Arratia-Pérez; Gary, S. Nichol; Zhiping Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 380 - 382
• a: 12.8376 ± 0.0005 Å
• b: 38.9235 ± 0.0016 Å
• c: 14.7586 ± 0.0006 Å
• α: 90°
• β: 115.038 ± 0.002°
• γ: 90°
• Cell volume: 6681.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No