Information card for entry 7003744

Structure parameters

• Formula: C25 H37 B Ir N7
• Calculated formula: C25 H37 B Ir N7
• SMILES: [Ir]1234([n]5n(c(C)cc5C)[BH](n5[n]1c(cc5C)C)n1nc(cc1C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.N#CC
• 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: 8.6937 ± 0.001 Å
• b: 14.3403 ± 0.0016 Å
• c: 11.0382 ± 0.0013 Å
• α: 90°
• β: 111.294 ± 0.002°
• γ: 90°
• Cell volume: 1282.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No