Information card for entry 4086869

Structure parameters

• Chemical name: n4-cyclooctadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(9-borabicyclononane)phosphoramidato]rhodium(I)
• Formula: C28 H46 B N O3 P Rh
• Calculated formula: C28 H46 B N O3 P Rh
• SMILES: [Rh]123([N](=P(O[BH]4C5CCCC4CCC5)(OCC)OCC)c4c(cccc4C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand
• Authors of publication: Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 10.3803 ± 0.0019 Å
• b: 10.4864 ± 0.0019 Å
• c: 14.3 ± 0.003 Å
• α: 105.02 ± 0.004°
• β: 104.542 ± 0.003°
• γ: 100.693 ± 0.003°
• Cell volume: 1402 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No