Information card for entry 4302980

Structure parameters

• Formula: C9 H18 N6.5 Ni5 O10 S6.25
• Calculated formula: C9 H15 N6.5 Ni5 O10 S6.25
• Title of publication: A Remarkable Member of the Polyoxometalates: The Eight-Nickel-Capped α-Keggin Polyoxoazonickelate
• Authors of publication: Lanjun Dong; Rudan Huang; Yongge Wei; Wei Chu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7528 - 7530
• a: 13.754 ± 0.0019 Å
• b: 13.754 ± 0.0019 Å
• c: 28.029 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5302.3 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No