Information card for entry 4115656

Structure parameters

• Formula: C18 H72 Fe4 N18 O36 Re18 Se24
• Calculated formula: C18 Fe4 N18 O34.8 Re18 Se24
• 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: 14.2455 ± 0.001 Å
• b: 14.2455 ± 0.001 Å
• c: 14.2455 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2890.9 ± 0.4 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 7
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0659
• Goodness-of-fit parameter for all reflections: 1.148
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No