Information card for entry 7242907

Structure parameters

• Formula: C27 H39 Cl2 K10 N13.5 O64 V24
• Calculated formula: C27 H39 Cl2 K10 N13.5 O64 V24
• Title of publication: Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework
• Authors of publication: Greiner, Simon; Anjass, Montaha; Streb, Carsten
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 3946 - 3950
• a: 13.0012 ± 0.0007 Å
• b: 20.168 ± 0.0008 Å
• c: 38.2835 ± 0.0016 Å
• α: 90°
• β: 93.6201 ± 0.0018°
• γ: 90°
• Cell volume: 10018.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1005
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No