Information card for entry 4314617

Structure parameters

• Formula: C93 H132 B2 N P5 Re6 Se8
• Calculated formula: C93 H132 B2 N P5 Re6 Se8
• SMILES: [Re]1234567([Re]89%10%11%12%13([Re]%14%15%16%171([Re]1%18%19%202([Re]2%2138([Re]9%141([Se]%10%15)([Se]%112)([Se]%18%21)([Se]%17%20)[N](=CC)c1ccccc1)([Se]4%19)([Se]7%13)[P](CC)(CC)CC)([Se]5%16)[P](CC)(CC)CC)([Se]6%12)[P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C
• 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: 16.87 ± 0.002 Å
• b: 17.192 ± 0.002 Å
• c: 17.913 ± 0.002 Å
• α: 96.744 ± 0.002°
• β: 92.112 ± 0.002°
• γ: 91.052 ± 0.002°
• Cell volume: 5154.5 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.161
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No