Information card for entry 4089645

Structure parameters

• Formula: C32 H72 B2 Li2 N4 P2
• Calculated formula: C32 H72 B2 Li2 N4 P2
• SMILES: [P]([BH3])(C([Li]1[N](C)(C)CC[N]1(C)C)c1ccccc1C([Li]1[N](C)(C)CC[N]1(C)C)[P]([BH3])(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers
• Authors of publication: Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 378
• a: 12.0666 ± 0.0009 Å
• b: 17.2892 ± 0.0015 Å
• c: 18.9818 ± 0.0014 Å
• α: 90°
• β: 93.807 ± 0.006°
• γ: 90°
• Cell volume: 3951.3 ± 0.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No