Information card for entry 7003742

Structure parameters

• Formula: C25 H37 B N7 Rh
• Calculated formula: C25 H37 B N7 Rh
• SMILES: [Rh]1234([n]5n([BH](n6[n]1c(C)cc6C)n1nc(C)cc1C)c(cc5C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.C(#N)C
• 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: 8.7043 ± 0.0014 Å
• b: 14.368 ± 0.002 Å
• c: 11.1111 ± 0.0018 Å
• α: 90°
• β: 111.748 ± 0.002°
• γ: 90°
• Cell volume: 1290.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No