Information card for entry 7007287

Structure parameters

• Formula: Cl2 Fe H8 O4
• Calculated formula: Cl2 Fe H8 O4
• SMILES: Cl[Fe]([OH2])([OH2])([OH2])([OH2])Cl
• Title of publication: The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.
• Authors of publication: Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 3212 - 3220
• a: 5.8738 ± 0.0003 Å
• b: 7.1006 ± 0.0005 Å
• c: 8.404 ± 0.0004 Å
• α: 90°
• β: 109.623 ± 0.003°
• γ: 90°
• Cell volume: 330.15 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No