Information card for entry 7114275

Structure parameters

• Formula: C14 H43 N7 Ta2
• Calculated formula: C14 H43 N7 Ta2
• SMILES: [Ta]12([H][Ta]3(N(C)C)([N]1(C3)C)(N(C)C)(N(C)C)[H]2)(N(C)C)(N(C)C)N(C)C
• Title of publication: Direct observation of η2-imine formation through β-H abstraction between amide ligands. Neutron and X-ray diffraction structure of a dihydride imine ditantalum complexElectronic supplementary information (ESI) available: experimental section; X-ray ORTEP views of 1a and 1b; HMQC and NOESY NMR spectra. See http://www.rsc.org/suppdata/cc/b1/b108913g/
• Authors of publication: Cai, Hu; Chen, Tianniu; Wang, Xiaoping; Schultz, Arthur J.; Koetzle, Thomas F.; Xue, Ziling
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 230
• a: 13.004 ± 0.004 Å
• b: 11.211 ± 0.004 Å
• c: 15.801 ± 0.005 Å
• α: 90°
• β: 96.866 ± 0.005°
• γ: 90°
• Cell volume: 2287.1 ± 1.3 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 4
• 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: 0.0364
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No