Information card for entry 7003335

Structure parameters

• Formula: C36 H42 Bi2 F36 N6 O6
• Calculated formula: C36 H42 Bi2 F36 N6 O6
• SMILES: [Bi](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)([N]12CCN(CC1)CC2)([N]12CC[N]([Bi](OC(C(F)(F)F)C(F)(F)F)([N]34CCN(CC4)CC3)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)(CC2)CC1)OC(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: 17.123 ± 0.003 Å
• b: 17.976 ± 0.004 Å
• c: 19.379 ± 0.004 Å
• α: 90°
• β: 111.56 ± 0.03°
• γ: 90°
• Cell volume: 5548 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1537
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No