Information card for entry 7022971

Structure parameters

• Formula: C36 H81 B F4 N3 O4 P5 Re6 Se8
• Calculated formula: C36 H81 B F4 N3 O4 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: 12.0855 ± 0.0006 Å
• b: 12.1341 ± 0.0006 Å
• c: 22.7645 ± 0.0011 Å
• α: 98.7794 ± 0.0006°
• β: 101.855 ± 0.0005°
• γ: 103.667 ± 0.0006°
• Cell volume: 3102.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No