Information card for entry 8105772

Structure parameters

• Formula: C58 H112 N4 O29 V6
• Calculated formula: C58 H112 N4 O29 V6
• Title of publication: The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
• Authors of publication: Xiao, Zicheng; Huang, Bo; Hu, Xiaokang; Wu, Pingfan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 535 - 537
• a: 15.331 ± 0.0005 Å
• b: 15.6093 ± 0.0004 Å
• c: 15.9394 ± 0.0005 Å
• α: 90°
• β: 109.132 ± 0.004°
• γ: 90°
• Cell volume: 3603.7 ± 0.2 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.145
• 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