Information card for entry 4349531

Structure parameters

• Formula: C58 H106 N2 O27 V6
• Calculated formula: C58 H106 N2 O27 V6
• Title of publication: Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups
• Authors of publication: Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 165
• a: 11.5756 ± 0.0003 Å
• b: 15.326 ± 0.0004 Å
• c: 20.1152 ± 0.0005 Å
• α: 90°
• β: 101.354 ± 0.002°
• γ: 90°
• Cell volume: 3498.75 ± 0.16 ų
• Cell temperature: 104.1 K
• Ambient diffraction temperature: 104.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No