Information card for entry 4350337

Structure parameters

• Formula: C40 H124 Hf N10 O80 P2 W22
• Calculated formula: C16 Hf N4 O80 P2 W22
• Title of publication: Syntheses and X-ray crystal structures of zirconium(IV) and hafnium(IV) complexes containing monovacant wells-Dawson and Keggin polyoxotungstates.
• Authors of publication: Kato, Chika Nozaki; Shinohara, Akira; Hayashi, Kunihiko; Nomiya, Kenji
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8108 - 8119
• a: 21.121 ± 0.003 Å
• b: 25.584 ± 0.003 Å
• c: 25.835 ± 0.003 Å
• α: 118.791 ± 0.002°
• β: 91.854 ± 0.002°
• γ: 100.936 ± 0.002°
• Cell volume: 11887 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No