Information card for entry 4314063

Structure parameters

• Formula: H76 Mo23 N6 O105 P2 Zr
• Calculated formula: Mo23 N6 O105 P2 Zr
• Title of publication: A Novel Zirconium Polyoxometalate Complex That Contains Both a Coordinated Saturated Anion, [PMo12O40]3-, and a Coordinated Unsaturated Anion, [PMo11O39]7-
• Authors of publication: Andrew J. Gaunt; Iain May; David Collison; O. Danny Fox
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5049 - 5051
• a: 12.743 ± 0.003 Å
• b: 19.827 ± 0.004 Å
• c: 18.791 ± 0.004 Å
• α: 90°
• β: 93.726 ± 0.004°
• γ: 90°
• Cell volume: 4737.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No