Information card for entry 7003331

Structure parameters

• Common name: X-Seed
• Formula: C12 H7 Bi F12 O2
• Calculated formula: C12 H7 Bi F12 O2
• Title of publication: Fluorinated bismuth alkoxides: from monomers to polymers and oxo-clusters
• Authors of publication: Andrews, Philip C.; Junk, Peter C.; Nuzhnaya, Iryna; Spiccia, Leone
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2557 - 2568
• a: 12.8185 ± 0.0002 Å
• b: 19.3178 ± 0.0003 Å
• c: 13.3728 ± 0.0003 Å
• α: 90°
• β: 103.868 ± 0.002°
• γ: 90°
• Cell volume: 3214.92 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No