Information card for entry 7130979

Structure parameters

• Formula: C32 H96 La N5 O47 S12 V12
• Calculated formula: C32 H96 La N5 O47 S12 V12
• Title of publication: Cation-controlled capture of polyoxovanadate-based organic-inorganic 1D architectures
• Authors of publication: Repp, Stefan; Steiner, Michael; Anjass, Montaha; Sorsche, Dieter; Streb, Carsten
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 19.6892 ± 0.0016 Å
• b: 19.6892 ± 0.0016 Å
• c: 10.9971 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4263.2 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No