Information card for entry 4300026

Structure parameters

• Formula: C92 H16 Bi9 F65 O20
• Calculated formula: C92 H16 Bi9 F65 O20
• SMILES: [Bi]1234([Bi]56789%10([Bi]%11%12%13%14%15%16[Bi]%17%185([O]19%14)([O]%15[Bi]159%14%11[Bi]([O]%131[Bi]1%11%13%15%19([Bi]%20([O]8%11[Bi]61([O]%10%17)([O]5%13)([O]%20c1c(c(c(c(c1F)F)F)F)F)[O]%18c1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)([O]%15c1c(c(c(c(c1F)F)F)F)F)[O]%19c1c(c(c(c(c1F)F)F)F)F)[O]7%12)([O]%16c1c(c(c(c(c1F)F)F)F)F)([O]9c1c(c(c(c(c1F)F)F)F)F)([O]%14c1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F)[O]2c1c(c(c(c(c1F)F)F)F)F)([O]3c1c(c(c(c(c1F)F)F)F)F)[O]4c1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Oligomerization and Oxide Formation in Bismuth Aryl Alkoxides: Synthesis and Characterization of Bi4(μ4-O)(μ-OC6F5)6{μ3-OBi(μ-OC6F5)3}2(C6H5CH3), Bi8(μ4-O)2(μ3-O)2(μ-OC6F5)16, Bi6(μ3-O)4(μ3-OC6F5){μ3-OBi(OC6F5)4}3, NaBi4(μ3-O)2(OC6F5)9(THF)2, and Na2Bi4(μ3-O)2(OC6F5)10(THF)2
• Authors of publication: Kenton H. Whitmire; Silke Hoppe; Orson Sydora; Jennifer L. Jolas; Carolyn M. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 85 - 97
• a: 14.123 ± 0.003 Å
• b: 14.578 ± 0.003 Å
• c: 29.487 ± 0.006 Å
• α: 86.04 ± 0.03°
• β: 81.79 ± 0.03°
• γ: 61.98 ± 0.03°
• Cell volume: 5304 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1382
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2161
• Weighted residual factors for all reflections included in the refinement: 0.2854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No