Information card for entry 7003334

Structure parameters

• Formula: C21 H27 Bi F18 O6
• Calculated formula: C21 H27 Bi F18 O6
• SMILES: [Bi](OC(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]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 16.5066 ± 0.0004 Å
• b: 9.5546 ± 0.0002 Å
• c: 19.4747 ± 0.0005 Å
• α: 90°
• β: 92.201 ± 0.001°
• γ: 90°
• Cell volume: 3069.17 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No