Information card for entry 4078335

Structure parameters

• Formula: C98 H88 Li2
• Calculated formula: C98 H88 Li2
• SMILES: [Li]12345678([C]9%10([C]%114([Li]4%129([C]1%10([C]24(Cc1ccccc1)[C]3%11%12Cc1ccccc1)Cc1ccccc1)[CH]1=CC=CC=C1)Cc1ccccc1)Cc1ccccc1)[c]1(Cc2ccccc2)[c]5([c]6(Cc2ccccc2)[c]7([c]81Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Pentabenzylcyclopentadienides of Lithium
• Authors of publication: Dohmeier, Carsten; Baum, Elke; Ecker, Achim; Köppe, Ralf; Schnöckel, Hansgeorg
• Journal of publication: Organometallics
• Year of publication: 1996
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4702
• a: 14.018 ± 0.009 Å
• b: 22.364 ± 0.011 Å
• c: 24.087 ± 0.014 Å
• α: 90°
• β: 101.32 ± 0.05°
• γ: 90°
• Cell volume: 7404 ± 7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3228
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections: 0.1843
• Weighted residual factors for significantly intense reflections: 0.1119
• Goodness-of-fit parameter for all reflections: 0.956
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No