Information card for entry 7047598

Structure parameters

• Formula: C58 H60 B2 N12 O4 Se2 W2
• Calculated formula: C58 H60 B2 N12 O4 Se2 W2
• Title of publication: Synthesis and reactivity of selenium functionalised allylidynes and propargylidynes.
• Authors of publication: Hill, Anthony F.; Manzano, Richard A.; Ward, Jas S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14621 - 14629
• a: 10.1236 ± 0.0002 Å
• b: 15.4789 ± 0.0003 Å
• c: 19.9039 ± 0.0004 Å
• α: 76.1006 ± 0.0017°
• β: 81.6539 ± 0.0015°
• γ: 84.5006 ± 0.0014°
• Cell volume: 2989.55 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0411
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9384
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No