Information card for entry 4068644

Structure parameters

• Formula: C49 H62 B Cl O3 Rh2
• Calculated formula: C49 H62 B Cl O3 Rh2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]1672345[Cl][Rh]23457([c]7([c]5([c]4([c]3([c]27C)C)C)C)C)([H]1)[O]=CO6)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CCOCC
• Title of publication: Reactivity, Structures, and NMR Spectroscopy of Half-Sandwich Pentamethylcyclopentadienyl Rhodium Amido Complexes Relevant to Transfer Hydrogenation
• Authors of publication: Blacker, A. John; Duckett, Simon B.; Grace, Jake; Perutz, Robin N.; Whitwood, Adrian C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1435
• a: 11.7528 ± 0.001 Å
• b: 13.6373 ± 0.0012 Å
• c: 14.2877 ± 0.0012 Å
• α: 106.264 ± 0.002°
• β: 92.571 ± 0.002°
• γ: 92.506 ± 0.002°
• Cell volume: 2192.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No