Information card for entry 4113575

Structure parameters

• Formula: C56 H84 N6 P2 Si6 Ta2
• Calculated formula: C56 H80 N6 P2 Si6 Ta2
• SMILES: c1(ccccc1)N1[Si](C)(C)C[P]2(C[Si](C)(C)N(c3ccccc3)[Ta]3412N([SiH2]CCCC)[Ta]124(N(c4ccccc4)[Si](C[P]2(c2ccccc2)C[Si](C)(C)N1c1ccccc1)(C)C)N3[SiH2]CCCC)c1ccccc1
• Title of publication: Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms
• Authors of publication: Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3234 - 3235
• a: 11.8429 ± 0.0005 Å
• b: 11.8526 ± 0.0005 Å
• c: 23.3824 ± 0.0005 Å
• α: 86.68 ± 0.05°
• β: 76.24 ± 0.05°
• γ: 79.36 ± 0.05°
• Cell volume: 3132.8 ± 0.9 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: 0.0981
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No