Information card for entry 7106704

Structure parameters

• Common name: Tantalum hydride
• Chemical name: Tantalum hydride
• Formula: C24 H64 N9 Ta3
• Calculated formula: C24 H64 N9 Ta3
• SMILES: [Ta]12(N(C(C)(C)C)[Ta]3([H][Ta]1(N2C(C)(C)C)([N]3(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C)(N(C)C)[N]C(C)(C)C
• Title of publication: Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of ButN[double bond, length as m-dash]Ta(NMe2)3 with silanes
• Authors of publication: Shu-Jian Chen; Juan Li; B.Dougan; C.Steren; Xiaoping Wang; Xue-Tai Chen; Zhenyang Lin; Ziling Xue
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8685
• a: 21.27 ± 0.011 Å
• b: 9.7 ± 0.005 Å
• c: 17.118 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3532 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No