Information card for entry 4115659

Structure parameters

• Formula: C6 H9 Fe N6 O4 Re6 Se8
• Calculated formula: C6 Fe N6 O4 Re6 Se8
• Title of publication: Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance
• Authors of publication: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8022 - 8032
• a: 12.7255 ± 0.001 Å
• b: 12.7255 ± 0.001 Å
• c: 13.6945 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1920.6 ± 0.3 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for all reflections: 0.84
• Goodness-of-fit parameter for significantly intense reflections: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No