Information card for entry 7005613

Structure parameters

• Formula: C22 H9 Cs3 Fe6 O21
• Calculated formula: C22.92 H8.68 Cs3 Fe6 O20.96
• Title of publication: Synthesis and X-ray structure of the [{Fe3(CO)9(micro3-O)}2H]3- trianion: dimerization of a metal carbonyl cluster via formation of an exceptionally short hydrogen bond.
• Authors of publication: Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zazzaroni, Enrico
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2644 - 2651
• a: 13.0952 ± 0.0003 Å
• b: 13.0952 ± 0.0003 Å
• c: 18.566 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2757.23 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No