Information card for entry 7117582

Structure parameters

• Chemical name: tetramethyalmmonium nonaniobopentaphosphate
• Formula: C36 H108 N9 Nb9 O69.5 P5
• Calculated formula: C36 H108 N9 Nb9 O69.342 P5
• Title of publication: A new Keggin-like niobium-phosphate cluster that reacts reversibly with hydrogen peroxide.
• Authors of publication: Son, Jung-Ho; Casey, William H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 64
• Pages of publication: 12744 - 12747
• a: 27.347 ± 0.002 Å
• b: 15.4386 ± 0.0012 Å
• c: 24.5428 ± 0.0019 Å
• α: 90°
• β: 91.742 ± 0.001°
• γ: 90°
• Cell volume: 10357.2 ± 1.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No