Information card for entry 7021121

Structure parameters

• Formula: C15 H30 I N2
• Calculated formula: C15 H30 I N2
• SMILES: C1=[N+](CCCCN1CC(C)(C)C)CC(C)(C)C.[I-]
• Title of publication: N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.
• Authors of publication: Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7318 - 7329
• a: 13.2298 ± 0.0002 Å
• b: 8.9506 ± 0.0002 Å
• c: 15.5722 ± 0.0003 Å
• α: 90°
• β: 103.075 ± 0.001°
• γ: 90°
• Cell volume: 1796.17 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No