Information card for entry 4350338

Structure parameters

• Formula: C8 H29 K6 O70 P Ti4 W10
• Calculated formula: C8 K6 O70 P Ti4 W10
• Title of publication: Novel Ti-O-Ti bonding species constructed in a metal-oxide cluster: reaction products of bis(oxalato)oxotitanate(IV) with the dimeric, 1,2-dititanium(IV)-substituted Keggin polyoxotungstate.
• Authors of publication: Hayashi, Kunihiko; Murakami, Hideyuki; Nomiya, Kenji
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8078 - 8085
• a: 12.638 ± 0.004 Å
• b: 14.219 ± 0.005 Å
• c: 18.992 ± 0.006 Å
• α: 101.182 ± 0.004°
• β: 92.16 ± 0.005°
• γ: 101.48 ± 0.004°
• Cell volume: 3270.7 ± 1.9 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: 0.0806
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No