Information card for entry 4070975

Structure parameters

• Formula: C22 H52 Cl0.37 N2.26 P2 Rh Si2
• Calculated formula: C22 H52 Cl0.371 N2.258 P2 Rh Si2
• SMILES: [Rh]12([N]#N)[P](C[Si](N1[Si](C)(C)C[P]2(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C.[Rh]12([N]#N)[P](C[Si](N1[Si](C)(C)C[P]2(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C.[Rh]12(Cl)[P](C[Si](N1[Si](C)(C)C[P]2(C(C)(C)C)C(C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: [(tBu2PCH2SiMe2)2N]RhI? Rapidly Reversible H−C(sp3) and H−C(sp2) Bond Cleavage by Rhodium(I)
• Authors of publication: Verat, Alexander Y.; Pink, Maren; Fan, Hongjun; Tomaszewski, John; Caulton, Kenneth G.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 166
• a: 15.1597 ± 0.0015 Å
• b: 12.5004 ± 0.0014 Å
• c: 31.331 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5937.3 ± 1.1 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.49595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No