Information card for entry 7009327

Structure parameters

• Chemical name: Tris(2,6-diphenylphenolato)cerium(III)
• Formula: C54 H39 Ce O3
• Calculated formula: C54 H39 Ce O3
• SMILES: [Ce]123456(Oc7c([c]81[cH]2[cH]3[cH]4[cH]5[cH]68)cccc7c1ccccc1)(Oc1c(c2ccccc2)cccc1c1ccccc1)Oc1c(c2ccccc2)cccc1c1ccccc1
• Title of publication: A simple synthesis and a structural survey of homoleptic rare earth(III) 2,6-diphenylphenolates
• Authors of publication: Deacon, Glen B.; Feng, Tiecheng; Forsyth, Craig M.; Gitlits, Alex; Hockless, David C. R.; Shen, Qi; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 961
• a: 15.5685 ± 0.0004 Å
• b: 13.3666 ± 0.0003 Å
• c: 10.9262 ± 0.0001 Å
• α: 116.029 ± 0.001°
• β: 92.403 ± 0.001°
• γ: 100.75 ± 0.001°
• Cell volume: 1987.42 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No