Information card for entry 7001344

Structure parameters

• Formula: C24 H34 F6 Ir N6 P
• Calculated formula: C24 H34 F6 Ir N6 P
• SMILES: [Ir]1234([n]5n(C(n6[n]1c(C)cc6C)n1nc(C)cc1C)c(cc5C)C)[CH]1=[CH]2CC[CH]4=[CH]3CC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bonding modes, structures and fluxionality in rhodium and iridium tris(3,5-dimethylpyrazolyl)methane diene complexes
• Authors of publication: Hallett, Andrew J.; Anderson, Kirsty M.; Connelly, Neil G.; Haddow, Mairi F.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4181 - 4189
• a: 12.1562 ± 0.0007 Å
• b: 14.3677 ± 0.0008 Å
• c: 17.1605 ± 0.0009 Å
• α: 90°
• β: 108.909 ± 0.001°
• γ: 90°
• Cell volume: 2835.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No