Information card for entry 7025224

Structure parameters

• Formula: C56 H48 N P2 Rh Si
• Calculated formula: C56 H48 N P2 Rh Si
• SMILES: [Rh]12([H][Si](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3c(N1c1c([P]2(c2ccccc2)c2ccccc2)cc(cc1)C)ccc(c3)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of rhodium and iridium alkene, alkyl and silyl complexes supported by a phenyl-substituted PNP pincer ligand.
• Authors of publication: Calimano, Elisa; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 39
• Pages of publication: 9250 - 9263
• a: 13.1126 ± 0.0005 Å
• b: 15.3957 ± 0.0006 Å
• c: 25.2088 ± 0.001 Å
• α: 90°
• β: 98.327 ± 0.002°
• γ: 90°
• Cell volume: 5035.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No