Information card for entry 7039537

Structure parameters

• Formula: C51.5 H84 N2 O5.5 W
• Calculated formula: C51.5 H82 N2 O5.5 W
• Title of publication: Effective bromo and chloro peroxidation catalysed by tungsten(vi) amino triphenolate complexes.
• Authors of publication: Badetti, Elena; Romano, Francesco; Marchiò, Luciano; Taşkesenlioğlu, Sara; Daştan, Arif; Zonta, Cristiano; Licini, Giulia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14603 - 14608
• a: 14.31 ± 0.001 Å
• b: 35.387 ± 0.003 Å
• c: 22.396 ± 0.002 Å
• α: 90°
• β: 106.356 ± 0.001°
• γ: 90°
• Cell volume: 10882.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No