Information card for entry 7003332

Structure parameters

• Common name: X-Seed
• Formula: C39 H13 Bi9 F78 O20
• Calculated formula: C39 H13 Bi9 F78 O20
• SMILES: [Bi]1234[O]5[Bi]67[O]82[Bi]29%10([O]1[Bi]1%11([O]%12[Bi]%13%14([O]69)[O]([Bi]([O]%13C(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)[O]7%14[Bi]675%12[O]31[Bi](OC(C(F)(F)F)C(F)(F)F)([O]%11C(C(F)(F)F)C(F)(F)F)([O]6C(C(F)(F)F)C(F)(F)F)[O]7C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)[O]2C(C(F)(F)F)C(F)(F)F)[O]([Bi]8([O]4C(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)[O]%10C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F
• 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: 13.6373 ± 0.0003 Å
• b: 14.1338 ± 0.0003 Å
• c: 24.9763 ± 0.0006 Å
• α: 104.796 ± 0.001°
• β: 93.937 ± 0.001°
• γ: 113.026 ± 0.001°
• Cell volume: 4206.09 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No