Information card for entry 4319052

Structure parameters

• Common name: [Ph2B(CH2NMe2)2][H]
• Formula: C18 H27 B N2
• Calculated formula: C18 H27 B N2
• SMILES: N(C[B](c1ccccc1)(c1ccccc1)C[NH+](C)C)(C)C
• Title of publication: Synthesis of the (Dialkylamino)borate, [Ph2B(CH2NMe2)2]-, Affords Access to N-Chelated Rhodium(I) Zwitterions
• Authors of publication: Theodore A. Betley; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6541 - 6543
• a: 7.7873 ± 0.0008 Å
• b: 13.5711 ± 0.0014 Å
• c: 15.9311 ± 0.0017 Å
• α: 90°
• β: 91.467 ± 0.002°
• γ: 90°
• Cell volume: 1683.1 ± 0.3 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 4
• 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: 0.0978
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No