Information card for entry 4311153

Structure parameters

• Formula: C162 H324 K9 N18 Nb3 O54 Sb24
• Calculated formula: C162 H324 K9 N18 Nb3 O54 Sb24
• Title of publication: Gas Phase, Solution, and Solid State Alkali Ion Binding by the [NbE8]3- (E = As, Sb) Complexes: Synthesis, Structure, and Spectroscopy
• Authors of publication: Banu Kesanli; James Fettinger; Brian Scott; Bryan Eichhorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3840 - 3846
• a: 26.0588 ± 0.0009 Å
• b: 25.3583 ± 0.0008 Å
• c: 38.0508 ± 0.0017 Å
• α: 90°
• β: 92.365 ± 0.001°
• γ: 90°
• Cell volume: 25122.8 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2918
• Goodness-of-fit parameter for all reflections included in the refinement: 2.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No