Information card for entry 4302772

Structure parameters

• Formula: C15 H17 Fe N0.5 Ni0.75 O7.5
• Calculated formula: C15.5 H17 Fe N0.5 Ni0.75 O7.5
• Title of publication: Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound
• Authors of publication: Sayon A. Kumalah; K. Travis Holman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6860 - 6872
• a: 13.532 ± 0.002 Å
• b: 14.661 ± 0.002 Å
• c: 16.931 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3359 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No