Information card for entry 4319053

Structure parameters

• Common name: {Ph2B(CH2NMe2)2}Rh(NBD)
• Formula: C25 H34 B N2 Rh
• Calculated formula: C25 H34 B N2 Rh
• SMILES: [Rh]1234([N](C[B](c5ccccc5)(c5ccccc5)C[N]1(C)C)(C)C)[CH]1=[CH]2C2[CH]4=[CH]3C1C2
• 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: 12.233 ± 0.0011 Å
• b: 9.5382 ± 0.0009 Å
• c: 18.5995 ± 0.0017 Å
• α: 90°
• β: 91.504 ± 0.002°
• γ: 90°
• Cell volume: 2169.5 ± 0.3 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No