Information card for entry 7006604

Structure parameters

• Common name: THF-complex of disodium oxidodiphenylmethanide
• Formula: C21 H26 Na2 O3
• Calculated formula: C21 H26 Na2 O3
• SMILES: [Na+].[Na+].O=C(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Sodium compounds of the benzophenone dianion (diphenyloxidomethanide).
• Authors of publication: Geier, Jens; Rüegger, Heinz; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 129 - 136
• a: 12.055 ± 0.007 Å
• b: 8.424 ± 0.005 Å
• c: 19.909 ± 0.012 Å
• α: 90°
• β: 94.618 ± 0.009°
• γ: 90°
• Cell volume: 2015 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No