Information card for entry 7004080

Structure parameters

• Formula: H36 K12 O140 P4 Ti2 W34
• Calculated formula: K12 O140 P4 Ti2 W34
• Title of publication: Syntheses, molecular structures and pH-dependent monomer‒dimer equilibria of Dawson α2-monotitanium(iv)-substituted polyoxometalates
• Authors of publication: Yoshida, Shoko; Murakami, Hideyuki; Sakai, Yoshitaka; Nomiya, Kenji
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4630
• a: 13.888 ± 0.003 Å
• b: 21.473 ± 0.004 Å
• c: 48.571 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14485 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No