Information card for entry 7030637

Structure parameters

• Formula: C28 H113 N7 O83 P2 W18 Zr3
• Calculated formula: C21 N7 O81 P2 W18 Zr3
• Title of publication: Sandwich-type HfIV and ZrIVcomplexes composed of tri-lacunary Keggin polyoxometalates: structure of [M3(μ-OH)3(A-α-PW9O34)2]9− (M = Hf and Zr)
• Authors of publication: Saku, Yoshio; Sakai, Yoshitaka; Shinohara, Akira; Hayashi, Kunihiko; Yoshida, Shoko; Kato, Chika N.; Yoza, Kenji; Nomiya, Kenji
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 805 - 813
• a: 29.237 ± 0.002 Å
• b: 36.741 ± 0.003 Å
• c: 38.239 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41076 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000379
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No