Information card for entry 2239583

Structure parameters

• Chemical name: 1,1,1-Tris(dimethylamino)-2-[tris(dimethylamino)phosphoranylidene]diphosphinium tetraphenylborate tetrahydrofuran monosolvate
• Formula: C40 H64 B N6 O P3
• Calculated formula: C40 H64 B N6 O P3
• SMILES: c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.P(=P(N(C)C)(N(C)C)N(C)C)[P+](N(C)C)(N(C)C)N(C)C.O1CCCC1
• Title of publication: 1,1,1-Tris(dimethylamino)-2-[tris(dimethylamino)phosphoranylidene]diphosphinium tetraphenylborate tetrahydrofuran monosolvate
• Authors of publication: Ellis, Bobby D.; Morasset, Erica V.; Macdonald, Charles L. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o691
• a: 13.0859 ± 0.0017 Å
• b: 11.8258 ± 0.0016 Å
• c: 27.504 ± 0.004 Å
• α: 90°
• β: 98.93 ± 0.002°
• γ: 90°
• Cell volume: 4204.7 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.154
• 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: Yes