Information card for entry 8106699

Structure parameters

• Formula: C27 H60 Cl2 N6 O23 V6
• Calculated formula: C27 H60 Cl2 N6 O23 V6
• Title of publication: Crystal structure of bis(3-(3-ethylureido)-N,N-dimethylpropan-1-aminium) bis (μ 3-2-(hydroxymethyl)-2-(oxidomethyl)propane-1,3-bis(olato))-(μ 6-oxo)-hexakis(μ 2-oxo)-hexaoxo-hexavanadium(V) – dichloromethane (1/1), C27H60Cl2N6O23V6
• Authors of publication: Hu, Xiaokang; Huang, Bo; Xiao, Zicheng; Wu, Pingfan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 849 - 850
• a: 26.1482 ± 0.0012 Å
• b: 10.6096 ± 0.0004 Å
• c: 17.4426 ± 0.0006 Å
• α: 90°
• β: 90.932 ± 0.004°
• γ: 90°
• Cell volume: 4838.3 ± 0.3 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 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: 0.0746
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No