Information card for entry 7001046

Structure parameters

• Formula: C39 H52 Li N2 O2 P2
• Calculated formula: C39 H52 Li N2 O2 P2
• SMILES: [P-](c1ccccc1)(c1ccccc1)=CP(c1ccccc1)c1ccccc1.O1CCCC1.[Li]1([O]2CCCC2)[N](CC[N]1(C)C)(C)C
• Title of publication: Synthesis and crystal structures of bis(diphenylphosphanyl)methanides of lithium and calcium as well as of their borane adducts
• Authors of publication: Langer, Jens; Wimmer, Katja; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2951 - 2957
• a: 21.3975 ± 0.0006 Å
• b: 9.8321 ± 0.0002 Å
• c: 18.8821 ± 0.0006 Å
• α: 90°
• β: 108.938 ± 0.001°
• γ: 90°
• Cell volume: 3757.43 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No