Information card for entry 4088771

Structure parameters

• Common name: 05sdt105
• Chemical name: 05sdt105
• Formula: C47 H40 B F20 O3 P2 Rh
• Calculated formula: C47 H40 B F20 O3 P2 Rh
• SMILES: c12c3cccc1O[P](C(C)(C)C)(C(C)(C)C)[Rh]2(C#[O])[P](C(C)(C)C)(C(C)(C)C)O3.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Structure of a Novel Rhodium Phosphinite Compound: Agostic Interactions as a Model for an Oxidative Addition Intermediate
• Authors of publication: Cherry, Sophia D. T.; Kaminsky, Werner; Heinekey, D. Michael
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2165
• a: 11.202 ± 0.0012 Å
• b: 16.4233 ± 0.0019 Å
• c: 27.815 ± 0.002 Å
• α: 90°
• β: 95.383 ± 0.006°
• γ: 90°
• Cell volume: 5094.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1069
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No