Information card for entry 2200075

Structure parameters

• Chemical name: Tris(1,2-dimethoxyethane-O,O')sodium pentaphenylcyclopentadienide
• Formula: C47 H55 Na O6
• Calculated formula: C47 H55 Na O6
• SMILES: [Na+].c1(c([c-](c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.COCCOC.COCCOC.COCCOC
• Title of publication: Tris(1,2-dimethoxyethane-<i>O</i>,<i>O</i>')sodium pentaphenylcyclopentadienide
• Authors of publication: Holl, Sven; Bock, Hans; Gharagozloo-Hubmann, Katayoun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m31 - m32
• a: 10.222 ± 0.001 Å
• b: 12.594 ± 0.002 Å
• c: 17.301 ± 0.003 Å
• α: 79.05 ± 0.011°
• β: 85.982 ± 0.014°
• γ: 74.883 ± 0.009°
• Cell volume: 2110.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes