Information card for entry 4073721

Structure parameters

• Common name: cis-Cp*W(NO)[eta2-(CH2NMe)P(NMe2)2](H)
• Formula: C16 H33 N4 O P W
• Calculated formula: C16 H33 N4 O P W
• SMILES: C1N(C)[P](N(C)C)(N(C)C)[WH]23451([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)N=O
• Title of publication: Investigations Directed at Catalytic Carbon−Carbon and Carbon−Oxygen Bond Formation via C−H Bond Activation
• Authors of publication: Blackmore, Ian J.; Semiao, Christopher J.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4881
• a: 15.711 ± 0.002 Å
• b: 7.7716 ± 0.0008 Å
• c: 17.039 ± 0.002 Å
• α: 90°
• β: 109.499 ± 0.006°
• γ: 90°
• Cell volume: 1961.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No