Information card for entry 4303663

Structure parameters

• Formula: C216 H160 Bi32 O56
• Calculated formula: C216 H156 Bi32 O56
• SMILES: [Bi]123[O]45[Bi]678[O]9[Bi]%10%11%12%13[O]%14[Bi]%15%16[O]%17[Bi]%18%19%20[O]%21[Bi]%22%23([O]%19[Bi]%19%24[O]%25[Bi]%26%27([O]16)[O]16[Bi]([O]8%27)([O]%12[Bi]8%12[O]%10[Bi]%10([O]%27[Bi]%28%29%309[O]9[Bi]([O]%18[Bi]%18%21(O[Bi]4([O]%29[Bi]%27([O]8[Bi]48[O]7[Bi]7%215[O]3[Bi]35%27%29[O]2[Bi]2([O]%23%19)[O]%27[Bi]%19([O]%23[Bi]%27%31%32([O]%263)[O]3[Bi]%26%33[O]%34[Bi]%35%36([O]%37[Bi]([O]4%35)([O]([Bi]4%34%37O[Bi]1([O]%31[Bi]%23([O]%242)Oc1c(cccc1c1ccccc1)c1ccccc1)[O]%324)c1c(c2ccccc2)cccc1c1ccccc1)([O]%128)[OH2])[O]7[Bi]([O]5[Bi]3([O]%29%19%27)[O]%33c1c(c2ccccc2)cccc1c1ccccc1)([O]%26%36)[O]%21c1c(c2ccccc2)cccc1c1ccccc1)(Oc1c(c2ccccc2)cccc1c1ccccc1)Oc1c(c2ccccc2)cccc1c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1)[O]%30%18)[O]%22c1c(c2ccccc2)cccc1c1ccccc1)([O]%15%20)[O]([Bi]%149[O]%11%10%28)c1c(c2ccccc2)cccc1c1ccccc1)(Oc1c(c2ccccc2)cccc1c1ccccc1)Oc1c(c2ccccc2)cccc1c1ccccc1)[O]%13[Bi]%17%256[O]%16c1c(c2ccccc2)cccc1c1ccccc1)[OH2]
• Title of publication: Bismuth Aryloxides
• Authors of publication: Xiaodi Kou; Xiaoyu Wang; Daniel Mendoza-Espinosa; Lev N. Zakharov; Arnold L. Rheingold; William H. Watson; Kimberly A. Brien; L. Kasun Jayarathna; Tracy A. Hanna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11002 - 11016
• a: 19.155 ± 0.002 Å
• b: 19.323 ± 0.002 Å
• c: 22.046 ± 0.002 Å
• α: 92.198 ± 0.002°
• β: 114.67 ± 0.002°
• γ: 107.594 ± 0.002°
• Cell volume: 6939.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No