Information card for entry 4110723

Structure parameters

• Formula: C52 H74 N6 P2 Si5 Ta2
• Calculated formula: C56 N6 P2 Si6 Ta2
• SMILES: [Ta]123[P](C[Si](N3c3ccccc3)(C)C)(c3ccccc3[Ta]3(N2[SiH2]C(C)(C)C)N([Si](C)(C)CP(c2ccccc2)C[Si](N([SiH](N=3)C(C)(C)C)c2ccccc2)(C)C)c2ccccc2)C[Si](N1c1ccccc1)(C)C
• Title of publication: Substituent Effects in the Hydrosilylation of Coordinated Dinitrogen in a Ditantalum Complex: Cleavage and Functionalization of N2
• Authors of publication: Bruce A. MacKay; Rui F. Munha; Michael D. Fryzuk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9472 - 9483
• a: 12.715 ± 0.005 Å
• b: 21.471 ± 0.012 Å
• c: 24.07 ± 0.016 Å
• α: 90°
• β: 104.354 ± 0.019°
• γ: 90°
• Cell volume: 6366 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No