Information card for entry 7039008

Structure parameters

• Formula: C74 H187 Cl2 N11 O68 V24
• Calculated formula: C74 H187 Cl2 N11 O68 V24
• Title of publication: A chloride capturing system via proton-induced structure transformation between opened- and closed-forms of dodecavanadates.
• Authors of publication: Inoue, Yoshitaka; Kikukawa, Yuji; Kuwajima, Sho; Hayashi, Yoshihito
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7563 - 7569
• a: 50.145 ± 0.009 Å
• b: 11.763 ± 0.0018 Å
• c: 24.476 ± 0.004 Å
• α: 90°
• β: 105.706 ± 0.004°
• γ: 90°
• Cell volume: 13898 ± 4 ų
• Cell temperature: 83 K
• Ambient diffraction temperature: 83 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No