Information card for entry 4085651

Structure parameters

• Common name: compound 4
• Formula: C40 H50 Li4 O2 P2
• Calculated formula: C40 H50 Li4 O2 P2
• SMILES: P12(=C3c4c(cccc4)c4[c]53[cH](ccc4)[Li]345[CH2]51[Li]([O](CC)CC)[CH2]4P1(=C4c6c(cccc6)c6[c]74[cH](ccc6)[Li]457[CH2]2[Li]([O](CC)CC)[CH2]314)C)C
• Title of publication: Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides
• Authors of publication: Schröder, Fabian G.; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1017 - 1020
• a: 8.2904 ± 0.0004 Å
• b: 23.4831 ± 0.0015 Å
• c: 9.8369 ± 0.0005 Å
• α: 90°
• β: 110.339 ± 0.004°
• γ: 90°
• Cell volume: 1795.69 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1119
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4085590
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No