Information card for entry 4077294

Structure parameters

• Formula: C26 H24 Bi2 F12 O3
• Calculated formula: C26 H24 Bi2 F12 O3
• SMILES: [Bi]12(OC(c3c2cc(cc3)C(C)(C)C)(C(F)(F)F)C(F)(F)F)[O]2[Bi]3([O]1[Bi]14[O]3[Bi]3([O]1C(c1c4cc(cc1)C(C)(C)C)(C(F)(F)F)C(F)(F)F)OC(c1c3cc(cc1)C(C)(C)C)(C(F)(F)F)C(F)(F)F)c1cc(ccc1C2(C(F)(F)F)C(F)(F)F)C(C)(C)C
• Title of publication: Synthesis and Structure of a Novel Ladder-Type Organobismuth Compound with Bismuth−Oxygen Interactions
• Authors of publication: Uchiyama, Yosuke; Kano, Naokazu; Kawashima, Takayuki
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 2440
• a: 26.791 ± 0.0007 Å
• b: 19.457 ± 0.0004 Å
• c: 23.801 ± 0.0006 Å
• α: 90°
• β: 99.958 ± 0.002°
• γ: 90°
• Cell volume: 12219.9 ± 0.5 ų
• Cell temperature: 120.2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections: 5.649
• Goodness-of-fit parameter for all reflections included in the refinement: 5.65
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No