Information card for entry 7026241

Structure parameters

• Formula: C25 H41 F6 I N4 O3 P Rh
• Calculated formula: C25 H41 F6 I N4 O3 P Rh
• SMILES: [Rh]123(I)(=C4N(C=CN4c4c[n+](cc(c4)C(=O)N(C(C)C)C(C)C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Hydride ion-carrier ability in Rh(I) complexes of a nicotinamide-functionalised N-heterocyclic carbene ligand.
• Authors of publication: McSkimming, Alex; Bhadbhade, Mohan; Colbran, Stephen B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10581 - 10584
• a: 8.0334 ± 0.0003 Å
• b: 30.846 ± 0.001 Å
• c: 13.2016 ± 0.0005 Å
• α: 90°
• β: 104.854 ± 0.002°
• γ: 90°
• Cell volume: 3162 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No