Information card for entry 4312767

Structure parameters

• Formula: C20 H48 Cl12 K2 N8 Nb6 O6
• Calculated formula: C20 H36 Cl12 K2 N8 Nb6 O6
• Title of publication: Octahedral Niobium Chloride Clusters as Building Blocks of Templated Prussian Blue Framework Analogues
• Authors of publication: Bangbo Yan; Huajun Zhou; Abdessadek Lachgar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8818 - 8822
• a: 11.6404 ± 0.0013 Å
• b: 14.385 ± 0.002 Å
• c: 16.494 ± 0.003 Å
• α: 90°
• β: 105.262 ± 0.013°
• γ: 90°
• Cell volume: 2664.5 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No