Information card for entry 7003746

Structure parameters

• Formula: C20 H24 B Ir N8
• Calculated formula: C20 H24 B Ir N8
• SMILES: [Ir]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)[n]1cccn1[B](n1ccc[n]41)(n1cccn1)n1cccn1
• Title of publication: Solid state and solution structures of rhodium and iridium poly(pyrazolyl)borate diene complexes
• Authors of publication: Adams, Christopher J.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Connelly, Neil G.; Field, Bevis A.; Hallett, Andrew J.; Horne, Mathew
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2680 - 2692
• a: 8.419 ± 0.004 Å
• b: 25.113 ± 0.014 Å
• c: 9.675 ± 0.004 Å
• α: 90°
• β: 92.27 ± 0.03°
• γ: 90°
• Cell volume: 2043.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No