Information card for entry 4086025

Structure parameters

• Chemical name: [N-(2,6-diisopropylphenyl)t-butylamidate]bis(triphenylphosphine)rhodium(I)
• Formula: C53 H56 N O P2 Rh
• Calculated formula: C53 H56 N O P2 Rh
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C
• Title of publication: Amidate-Ligated Complexes of Rhodium(I): A Showcase of Coordination Flexibility
• Authors of publication: Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1783
• a: 10.8229 ± 0.0014 Å
• b: 13.5515 ± 0.0018 Å
• c: 16.978 ± 0.002 Å
• α: 96.647 ± 0.003°
• β: 103.89 ± 0.003°
• γ: 109.96 ± 0.003°
• Cell volume: 2218.1 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0372
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No