Information card for entry 4108966

Structure parameters

• Formula: C108 H95 Cl12 Fe Mn6 N24 Nb6 O17
• Calculated formula: C108 H84 Cl12 Fe Mn6 N24 Nb6 O17.04
• Title of publication: Superexpanded Prussian-Blue Analogue with [Fe(CN)6]4-, [Nb6Cl12(CN)6]4-, and [Mn(salen)]+ as Building Units
• Authors of publication: Jianjun Zhang; Abdessadek Lachgar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 250 - 251
• a: 16.3466 ± 0.0018 Å
• b: 16.3466 ± 0.0018 Å
• c: 42.227 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9772 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No