Information card for entry 7029346

Structure parameters

• Formula: C22 H36 B9 Rh
• Calculated formula: C22 H36 B9 Rh
• SMILES: [Rh]12345678([C]9%10%11%12[C]%13%141([BH]1%15%11[BH]%11%16%10[BH]%1029[BH]294[BH]43%13[BH]3%14%15[BH]%131%16[BH]%11%102[BH]943%13)Cc1c(C%12)cccc1)C[C]5(=[C]6([CH]7=[CH]8C(=C(C)C)C)C)C
• Title of publication: Base-mediated transformation of the agostic (π-allyl)-closo-rhodacarboranes into complexes with an open (1-5-η(5))-pentadienyl ligand.
• Authors of publication: Galkin, K. I.; Dolgushin, F. M.; Smol'yakov, A. F.; Sergeeva, E. A.; Godovikov, I. A.; Chizhevsky, I. T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5076 - 5082
• a: 9.3802 ± 0.0007 Å
• b: 17.2947 ± 0.0014 Å
• c: 14.8255 ± 0.0012 Å
• α: 90°
• β: 93.867 ± 0.002°
• γ: 90°
• Cell volume: 2399.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No