Information card for entry 4350336

Structure parameters

• Formula: C40 H134 N10 O85 P2 W22 Zr
• Calculated formula: C16 N4 O85 P2 W22 Zr
• 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: 21.1348 ± 0.0016 Å
• b: 25.5295 ± 0.0019 Å
• c: 25.8012 ± 0.0019 Å
• α: 118.748 ± 0.001°
• β: 91.93 ± 0.001°
• γ: 100.877 ± 0.001°
• Cell volume: 11860.3 ± 1.5 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: 0.216
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No