Information card for entry 4110720

Structure parameters

• Formula: C54 H82 N6 P2 Si7 Ta2
• Calculated formula: C54 H82 N6 P2 Si7 Ta2
• SMILES: c1(ccccc1)[P]12C[Si](C)(C)N(c3ccccc3)[Ta]342(N([SiH2]CC[SiH3])[Ta]254(N3[SiH2]CCCC)N(c3ccccc3)[Si](C[P]5(c3ccccc3)C[Si](C)(C)N2c2ccccc2)(C)C)N(c2ccccc2)[Si](C1)(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: 11.8419 ± 0.0007 Å
• b: 11.9083 ± 0.0008 Å
• c: 23.138 ± 0.001 Å
• α: 77.6 ± 0.005°
• β: 86.566 ± 0.005°
• γ: 78.906 ± 0.005°
• Cell volume: 3126.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No