Information card for entry 7008806

Structure parameters

• Formula: C4 H30 K5 O63 P Ti2 W11
• Calculated formula: C4 K5 O63 P Ti2 W11
• Title of publication: Novel Ti‒O‒Ti bonding species constructed in a metal-oxide cluster
• Authors of publication: Hayashi, Kunihiko; Takahashi, Mizuto; Nomiya, Kenji
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3751
• a: 14.8135 ± 0.0016 Å
• b: 14.8893 ± 0.0016 Å
• c: 16.6339 ± 0.0018 Å
• α: 67.8 ± 0.002°
• β: 89.081 ± 0.002°
• γ: 62.783 ± 0.002°
• Cell volume: 2965.5 ± 0.6 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: 0.0372
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No