Information card for entry 4120413

Structure parameters

• Formula: C27 H53 N2 Ni O3
• Calculated formula: C28 H56 N2 Ni O2
• SMILES: [Ni]12(OC(C(C)(C)C)(C(C)(C)C)C=[N]1C(C)(C)C)OC(C=[N]2C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films
• Authors of publication: Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12588 - 12591
• a: 7.7457 ± 0.001 Å
• b: 9.8404 ± 0.0012 Å
• c: 10.4432 ± 0.0013 Å
• α: 79.17 ± 0.006°
• β: 74.612 ± 0.006°
• γ: 70.558 ± 0.005°
• Cell volume: 719.34 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No