Information card for entry 7029677

Structure parameters

• Formula: C37 H57 B N O2 P2 Rh
• Calculated formula: C37 H57 B N O2 P2 Rh
• SMILES: [Rh]123([P](CC)(CC)CC)([P](CC)(CC)CC)C4[CH]1=[CH]2C(=C(N(c1ccccc1)B1OC(C(O1)(C)C)(C)C)c1ccccc1)C=[CH]34
• Title of publication: Versatile reactivity of a rhodium(i) boryl complex towards ketones and imines.
• Authors of publication: Kalläne, Sabrina I; Braun, Thomas; Braun, Beatrice; Mebs, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6786 - 6801
• a: 19.0638 ± 0.0003 Å
• b: 20.0967 ± 0.0004 Å
• c: 20.5505 ± 0.0004 Å
• α: 90°
• β: 107.636 ± 0.001°
• γ: 90°
• Cell volume: 7503.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No