Information card for entry 7034814

Structure parameters

• Formula: C18 H48 B O2 P4 Rh
• Calculated formula: C18 H48 B O2 P4 Rh
• SMILES: C1(C(C)(C)OB([Rh]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)O1)(C)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: 9.2105 ± 0.0006 Å
• b: 12.2896 ± 0.0012 Å
• c: 12.3812 ± 0.0011 Å
• α: 90.471 ± 0.008°
• β: 98.184 ± 0.006°
• γ: 90.52 ± 0.008°
• Cell volume: 1387.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No