Information card for entry 2004552

Structure parameters

• Chemical name: Sodium tetraphenylcyclopentadienylate bis(dimethoxyethane)
• Formula: C37 H41 Na O4
• Calculated formula: C37 H41 Na O4
• SMILES: [cH]12[c]3([c]4([c]5([c]1(c1ccccc1)[Na]162345([O](C)CC[O]1C)[O](C)CC[O]6C)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Sodium Tetraphenylcyclopentadienide Bis(dimethoxyethane)
• Authors of publication: Näther, C.; Hauck, T.; Bock, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 570 - 572
• a: 8.587 ± 0.001 Å
• b: 10.39 ± 0.001 Å
• c: 19.707 ± 0.003 Å
• α: 81 ± 0.01°
• β: 86.96 ± 0.01°
• γ: 69.11 ± 0.01°
• Cell volume: 1622.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.1532
• Weighted residual factors for significantly intense reflections: 0.13
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No