Information card for entry 4075855

Structure parameters

• Formula: C52 H73 Al N6 P2 Si4 Ta2
• Calculated formula: C52 H72.531 Al N6 P2 Si4 Ta2
• Title of publication: Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement
• Authors of publication: MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3836
• a: 22.6221 ± 0.0006 Å
• b: 13.3919 ± 0.0003 Å
• c: 19.7152 ± 0.0005 Å
• α: 90°
• β: 101.282 ± 0.002°
• γ: 90°
• Cell volume: 5857.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No