Information card for entry 7003336

Structure parameters

• Formula: C38 H24 Bi4 F48 O10
• Calculated formula: C38 H24 Bi4 F48 O10
• SMILES: C(F)(F)(F)C(C(F)(F)F)[O]1[Bi]2(OC(C(F)(F)F)C(F)(F)F)[O]([Bi]3(OC(C(F)(F)F)C(F)(F)F)[O](C(C(F)(F)F)C(F)(F)F)[Bi](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)[O]23)[Bi]1(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F.Cc1ccccc1.Cc1ccccc1
• 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: 12.7084 ± 0.0012 Å
• b: 12.0381 ± 0.0011 Å
• c: 19.6916 ± 0.0018 Å
• α: 90°
• β: 90.155 ± 0.002°
• γ: 90°
• Cell volume: 3012.5 ± 0.5 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: 0.0433
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No