Information card for entry 7034816

Structure parameters

• Formula: C20 H46 B N2 P4 Rh
• Calculated formula: C20 H46 B N2 P4 Rh
• SMILES: c12ccccc1N(B([Rh]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)N2C)C
• Title of publication: Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?
• Authors of publication: Borner, C.; Brandhorst, K.; Kleeberg, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8600 - 8604
• a: 9.2189 ± 0.0004 Å
• b: 19.0437 ± 0.0007 Å
• c: 15.9428 ± 0.0006 Å
• α: 90°
• β: 94.531 ± 0.004°
• γ: 90°
• Cell volume: 2790.2 ± 0.19 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No