Information card for entry 4003231

Structure parameters

• Chemical name: W2O2(u2-O)2(tBuAMD)2
• Formula: C25 H53 N4 O4 W2
• Calculated formula: C25 H53 N4 O4 W2
• SMILES: [W]12(=O)(O[W]3(=O)(O1)[N](=C(N3C(C)(C)C)C)C(C)(C)C)[N](=C(N2C(C)(C)C)C)C(C)(C)C.C(CC)CC
• Title of publication: Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition
• Authors of publication: Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1907
• a: 10.76 ± 0.002 Å
• b: 24.074 ± 0.005 Å
• c: 12.908 ± 0.003 Å
• α: 90°
• β: 97.8 ± 0.03°
• γ: 90°
• Cell volume: 3312.7 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0987
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No