Information card for entry 7105640

Structure parameters

• Formula: C18 H16 Fe2 N O10
• Calculated formula: C18 H16 Fe2 N O10
• Title of publication: Fe(III)/Fe(II) regular charge order in metal-organic framework.
• Authors of publication: Medina, Manuela Eloísa; Dumont, Yves; Grenèche, Jean-Marc; Millange, Franck
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 42
• Pages of publication: 7987 - 7989
• a: 6.9004 ± 0.0014 Å
• b: 8.554 ± 0.003 Å
• c: 10.38 ± 0.003 Å
• α: 107.15 ± 0.02°
• β: 100.155 ± 0.017°
• γ: 102.095 ± 0.017°
• Cell volume: 553.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No