Information card for entry 7028544

Structure parameters

• Formula: C36 H118 Cu2 Mo12 N8 O72 V2
• Calculated formula: C33 H79 Cu2 Mo12 N7.5 O69 V2
• Title of publication: Organic functionalization of polyoxometalate in aqueous solution: self-assembly of a new building block of {VMo6O25} with triethanolamine.
• Authors of publication: Gao, Qiao; Li, Fengyan; Wang, Yuchao; Xu, Lin; Bai, Jie; Wang, Ya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 941 - 944
• a: 13.6392 ± 0.0012 Å
• b: 13.8543 ± 0.0012 Å
• c: 14.535 ± 0.002 Å
• α: 96.723 ± 0.001°
• β: 99.346 ± 0.001°
• γ: 117.124 ± 0.001°
• Cell volume: 2354.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No