Information card for entry 7000821

Structure parameters

• Formula: C66 H60 B Cl0 F4 N3 O5 P3 Rh
• Calculated formula: C66 H54 B F4 N3 O5 P3 Rh
• SMILES: C123[Rh]4([P](n5c1c(c1c5cccc1)C)(c1ccccc1)c1ccccc1)([O]=C(O4)C)([P](n1c2c(c2c1cccc2)C)(c1ccccc1)c1ccccc1)[P](n1c3c(c2c1cccc2)C)(c1ccccc1)c1ccccc1.O.O.[B](F)(F)(F)[F-].O
• Title of publication: Synthesis and reactivity of the novel hydride derivative RhHCl(TIMP3) (HTIMP3 = tris[1-(diphenylphosphino)-3-methyl-1H-indol-2-yl]methane)
• Authors of publication: Ciclosi, Marco; Estevan, Francisco; Lahuerta, Pascual; Passarelli, Vincenzo; Pérez-Prieto, Julia; Sanaú, Mercedes
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2290 - 2297
• a: 11.067 ± 0.0003 Å
• b: 13.374 ± 0.0004 Å
• c: 20.883 ± 0.0006 Å
• α: 101.737 ± 0.0017°
• β: 92.49 ± 0.0016°
• γ: 90.316 ± 0.0013°
• Cell volume: 3023.09 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.1223
• Weighted residual factors for significantly intense reflections: 0.3216
• Weighted residual factors for all reflections included in the refinement: 0.3831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No