Information card for entry 7022972

Structure parameters

• Formula: C25.5 H63 Cl3 N6 P4 Re6 Se8
• Calculated formula: C24 H60 N6 P4 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]%12%16)([Se]%17%19)([Se]%202)([Se]%13%21)N=N#N)([Se]6%18)([Se]7%11)N=N#N)([Se]5%15)[P](CC)(CC)CC)([Se]4%10)[P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Azide alkyne cycloaddition facilitated by hexanuclear rhenium chalcogenide cluster complexes.
• Authors of publication: Knott, Stanley A.; Templeton, Jeffrey N.; Durham, Jessica L.; Howard, Angela M.; McDonald, Robert; Szczepura, Lisa F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 8132 - 8139
• a: 11.2984 ± 0.0006 Å
• b: 20.7624 ± 0.0012 Å
• c: 23.0471 ± 0.0013 Å
• α: 90°
• β: 103.142 ± 0.0007°
• γ: 90°
• Cell volume: 5264.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No