Information card for entry 7022970

Structure parameters

• Formula: C42 H105 B F4 N3 O3 P5 Re6 Se8
• Calculated formula: C30 H75 B F4 N3 P5 Re6 Se8
• 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: 15.5343 ± 0.0008 Å
• b: 20.3729 ± 0.0011 Å
• c: 19.5681 ± 0.0011 Å
• α: 90°
• β: 92.69 ± 0.0007°
• γ: 90°
• Cell volume: 6186.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No