Information card for entry 4317691

Structure parameters

• Formula: C10 H15 Ir N2 O6
• Calculated formula: C10 H15 Ir N2 O6
• SMILES: [Ir]12345([O]=N(O1)=O)(ON(=O)=O)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 13.032 ± 0.004 Å
• b: 14.37 ± 0.011 Å
• c: 14.839 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2779 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0488
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No