Information card for entry 4085126

Structure parameters

• Formula: C28 H34 Fe4 Ir N O12
• Calculated formula: C28 H34 Fe4 Ir N O12
• Title of publication: [H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters
• Authors of publication: Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 189
• a: 17.9672 ± 0.0009 Å
• b: 15.9083 ± 0.0008 Å
• c: 11.6754 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3337.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No