Information card for entry 4317690

Structure parameters

• Formula: C26 H32 B2 Cl2 F8 Ir N3
• Calculated formula: C26 H32 B2 Cl2 F8 Ir N3
• SMILES: [Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: (η5-Pentamethylcyclopentadienyl)rhodium and -iridium Complexes with Weakly and Strongly Coordinating Anions: Isolation and First X-ray Molecular Structures of the Tris(solvent) Complexes [(C5Me5)M(acetone)2(H2O)][BF4]2 (M = Rh, Ir)
• Authors of publication: Hani Amouri; Carine Guyard-Duhayon; Jacqueline Vaissermann; Marie Noelle Rager
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1397 - 1403
• a: 8.655 ± 0.003 Å
• b: 19.687 ± 0.007 Å
• c: 18.408 ± 0.005 Å
• α: 90°
• β: 94.17 ± 0.03°
• γ: 90°
• Cell volume: 3128.3 ± 1.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0787
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No