Information card for entry 7006606

Structure parameters

• Common name: hexameric sodium diphenylmethanolate
• Chemical name: hexameric sodium diphenylmethanolate
• Formula: C78 H66 Na6 O6
• Calculated formula: C78 H66 Na6 O6
• SMILES: [Na]12[O]3(C(c4ccccc4)c4ccccc4)[Na]4[O]5([Na]([O]14C(c1ccccc1)c1ccccc1)[O]1([Na]4[O](C(c6ccccc6)c6ccccc6)([Na]51)[Na]3[O]24C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• 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: 21.777 ± 0.003 Å
• b: 21.777 ± 0.003 Å
• c: 12.378 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5083.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No