Information card for entry 7026968

Structure parameters

• Formula: H69 Na13 O100 Sb2 Ti W18
• Calculated formula: Na12 O99.7 Sb2 Ti W18
• Title of publication: Assembly of titanium embedded polyoxometalates with unprecedented structural features.
• Authors of publication: McGlone, Thomas; Vilà-Nadal, Laia; Miras, Haralampos N.; Long, De-Liang; Poblet, Josep M.; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11599 - 11604
• a: 12.3948 ± 0.0002 Å
• b: 17.4618 ± 0.0003 Å
• c: 23.1989 ± 0.0004 Å
• α: 74.019 ± 0.002°
• β: 78.653 ± 0.002°
• γ: 76.95 ± 0.002°
• Cell volume: 4653.54 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No