Information card for entry 4086164

Structure parameters

• Formula: C13.01 H20.02 Cl N O W
• Calculated formula: C13.012 H20.02 Cl1.004 N1.004 O1.004 W
• Title of publication: Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes
• Authors of publication: Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3428
• a: 9.5405 ± 0.0003 Å
• b: 10.905 ± 0.0003 Å
• c: 13.2198 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.38 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No