Information card for entry 4089575

Structure parameters

• Common name: compound 2b
• Formula: C28 H48 Li2 P2
• Calculated formula: C28 H48 Li2 P2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Li]2456C[P+]([c]12[cH]4[cH]5[cH]6[cH]1[Li]2456C[P+]3(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes
• Authors of publication: Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5082
• a: 8.0778 ± 0.0008 Å
• b: 9.0873 ± 0.0009 Å
• c: 10.5086 ± 0.001 Å
• α: 88.227 ± 0.008°
• β: 76.622 ± 0.008°
• γ: 70.553 ± 0.008°
• Cell volume: 706.75 ± 0.13 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: 0.05
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No