Information card for entry 4314121

Structure parameters

• Common name: MIL-67
• Formula: C9 H10 Fe O9
• Calculated formula: C9 H7 Fe O9
• Title of publication: Synthesis, Structure, and Mössbauer Study of [Fe(H2O)2(C9O6H4)].H2O: A Two-Dimensional Iron(II) Trimellitate (MIL-67)
• Authors of publication: Myriam Riou-Cavellec; Cédric Lesaint; Marc Noguès; Jean-Marc Grenèche; Gérard Férey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5669 - 5674
• a: 6.9671 ± 0.0002 Å
• b: 7.3089 ± 0.0003 Å
• c: 12.5097 ± 0.0003 Å
• α: 78.758 ± 0.001°
• β: 89.542 ± 0.002°
• γ: 65.197 ± 0.001°
• Cell volume: 565.21 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.0976
• Goodness-of-fit parameter for all reflections: 0.952
• Goodness-of-fit parameter for significantly intense reflections: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No