Information card for entry 4321828

Structure parameters

• Formula: C27 H40 B F4 Ir O6
• Calculated formula: C27 B F4 Ir O6
• Title of publication: Unusual Me-O Bond Cleavage in a Metalated Crown-Ether: X-ray Molecular Structure of (5-Methoxy-4,6-dimethyl-1,3-xylylene-2-one)-15 Crown-4 Complex of Pentamethylcyclopentadienyl Iridium
• Authors of publication: H. Amouri; J. Vaissermann; M. N. Rager; Y. Besace
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1211 - 1215
• a: 8.187 ± 0.005 Å
• b: 17.193 ± 0.004 Å
• c: 10.9 ± 0.003 Å
• α: 90°
• β: 109.68 ± 0.04°
• γ: 90°
• Cell volume: 1444.7 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0433
• Goodness-of-fit parameter for significantly intense reflections: 3.8
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No