Information card for entry 4317688

Structure parameters

• Formula: C16 H29 B2 F8 O3 Rh
• Calculated formula: C16 H27 B2 F8 O3 Rh
• SMILES: [Rh]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)([O]=C(C)C)([O]=C(C)C)[OH2].[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: 10.157 ± 0.003 Å
• b: 14.038 ± 0.009 Å
• c: 16.335 ± 0.002 Å
• α: 90°
• β: 99.73 ± 0.02°
• γ: 90°
• Cell volume: 2295.6 ± 1.7 ų
• Cell temperature: 283 K
• Ambient diffraction temperature: 283 K
• Number of distinct elements: 6
• 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: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0859
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No