Information card for entry 4079060

Structure parameters

• Formula: C16 H37 Cl N3 O2 Ta
• Calculated formula: C16 H37 Cl N3 O2 Ta
• SMILES: [Ta]12(OC(C[N]1(C)C)(C)C)(OC(C[N]2(C)C)(C)C)(=NC(C)(C)C)Cl
• Title of publication: Synthesis and Characterization of Novel Volatile Imido-Aminoalkoxide Tantalum Compounds
• Authors of publication: Park, Bo Keun; Kim, Hyo-Suk; Shin, Su Jung; Min, Jae Ki; Lee, Kang Mun; Do, Youngkyu; Kim, Chang Gyoun; Chung, Taek-Mo
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8109
• a: 9.842 ± 0.005 Å
• b: 13.605 ± 0.006 Å
• c: 16.718 ± 0.008 Å
• α: 90°
• β: 94.849 ± 0.016°
• γ: 90°
• Cell volume: 2230.5 ± 1.8 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No