Information card for entry 4324481

Structure parameters

• Formula: C98 H224 N10 O80 P6 W18 Zr2
• Calculated formula: C98 H208 N10 O80 P6 W18 Zr2
• Title of publication: Insights into the Coordination Chemistry of Phosphonate Derivatives of Heteropolyoxotungstates
• Authors of publication: Richard Villanneau; David Racimor; Elisabeth Messner-Henning; Hélène Rousselière; Sébastien Picart; René Thouvenot; Anna Proust
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1164 - 1166
• a: 15.162 ± 0.004 Å
• b: 27.858 ± 0.005 Å
• c: 20.453 ± 0.003 Å
• α: 90°
• β: 93.381 ± 0.01°
• γ: 90°
• Cell volume: 8624 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No