Information card for entry 4078417

Structure parameters

• Common name: compound 11
• Formula: C44 H48 Li2 P2
• Calculated formula: C44 H48 Li2 P2
• SMILES: [C]123[CH]4=[C]5([CH]6=[CH]1[Li]2456CP(=[C]12[CH]4=[C]5([CH]6=[CH]1[Li]2456CP=3(c1ccccc1)c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites
• Authors of publication: Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4259
• a: 10.1573 ± 0.0004 Å
• b: 12.5949 ± 0.0005 Å
• c: 15.509 ± 0.0007 Å
• α: 95.988 ± 0.003°
• β: 105.581 ± 0.003°
• γ: 97.631 ± 0.003°
• Cell volume: 1873.76 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No