Information card for entry 4075315

Structure parameters

• Formula: C46 H72 F6 N6 O P Rh
• Calculated formula: C46 H72 F6 N6 O P Rh
• SMILES: [Rh](C#[O])(=C1N(C=CN1C1CCCCC1)C1CCCCC1)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)=C1N(C=CN1C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies
• Authors of publication: Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2642
• a: 15.03 ± 0.0001 Å
• b: 15.063 ± 0.0001 Å
• c: 21.646 ± 0.0002 Å
• α: 90°
• β: 96.431 ± 0.001°
• γ: 90°
• Cell volume: 4869.75 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No