Information card for entry 1572320

Structure parameters

• Formula: C18.88 H33.89 As1.98 B K3 N7 O55.99 W11.01
• Calculated formula: C18.928 H31.928 As1.976 B K3 N7 O55.737 W11.012
• 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: 12.186 Å
• b: 23.1617 ± 0.0001 Å
• c: 23.1375 ± 0.0001 Å
• α: 90°
• β: 97.73°
• γ: 90°
• Cell volume: 6471.18 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No