Information card for entry 7003888

Structure parameters

• Common name: W(OCN)(Cl)2(N(i-Pr)Ar)3
• Formula: C42 H64 Cl2 N4 O3 W
• Calculated formula: C41.946 H63.912 Cl2.01 N3.99 O2.979 W
• Title of publication: 6-Coordinate tungsten(vi) tris-n-isopropylanilide complexes: products of terminal oxo and nitrido transformations effected by main group electrophiles
• Authors of publication: Clough, Christopher R.; Müller, Peter; Cummins, Christopher C.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4458 - 4463
• a: 13.36 ± 0.0012 Å
• b: 13.36 ± 0.0012 Å
• c: 39.556 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6114.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No