Information card for entry 4324482

Structure parameters

• Formula: C88 H198 N8 O76 P6 W18 Zr2
• Calculated formula: C88 N8 O76 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: 28.125 ± 0.006 Å
• b: 22.992 ± 0.003 Å
• c: 28.543 ± 0.003 Å
• α: 90°
• β: 115.937 ± 0.008°
• γ: 90°
• Cell volume: 16598 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No