Information card for entry 7001682

Structure parameters

• Formula: C32 H116 N8 O89 P2 W22 Zr2
• Calculated formula: C24 N6 O89 P2 W22 Zr2
• Title of publication: Synthesis and structure of dinuclear hafnium(IV) and zirconium(IV) complexes sandwiched between 2 mono-lacunary α-Keggin polyoxometalates
• Authors of publication: Nomiya, Kenji; Saku, Yoshio; Yamada, Shingo; Takahashi, Wataru; Sekiya, Hiromi; Shinohara, Akira; Ishimaru, Megumi; Sakai, Yoshitaka
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 28
• Pages of publication: 5504 - 5511
• a: 11.8103 ± 0.0019 Å
• b: 20.785 ± 0.003 Å
• c: 23.081 ± 0.004 Å
• α: 78.825 ± 0.003°
• β: 79.372 ± 0.003°
• γ: 88.416 ± 0.003°
• Cell volume: 5462.9 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No