Information card for entry 7114276

Structure parameters

• Formula: C14 H43 N7 Ta2
• Calculated formula: C14 H43 N7 Ta2
• SMILES: N([Ta]12([H][Ta]3([N]1(C3)C)(N(C)C)(N(C)C)(N(C)C)[H]2)(N(C)C)N(C)C)(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: 14.8544 ± 0.0006 Å
• b: 16.5918 ± 0.0007 Å
• c: 19.2122 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4735.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No