Information card for entry 1572319

Structure parameters

• Formula: C18 H37 B K3 N6 O57 P2 W11
• Calculated formula: C18 H29 B K3 N6 O53 P2 W11
• Title of publication: Organofunctionalized borotungstate polyoxometalates as tunable photocatalysts for oxidative dimerization of amines
• Authors of publication: Tsang, Nicole; Kibler, Alexander; Argent, Stephen; Lam, Hon Wai; Jones, Kieran D.; Newton, Graham
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 12.3035 ± 0.0004 Å
• b: 23.9565 ± 0.0005 Å
• c: 12.4053 ± 0.0004 Å
• α: 90°
• β: 118.757 ± 0.004°
• γ: 90°
• Cell volume: 3205.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No