Information card for entry 4115668

Structure parameters

• Formula: C36 H74 Cl Fe N4 O Si2 Ta
• Calculated formula: C42 H64 Cl Fe N4 Si2 Ta
• Title of publication: Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand
• Authors of publication: Joseph A. R. Schmidt; John Arnold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8424 - 8425
• a: 21.2081 ± 0.0002 Å
• b: 14.743 ± 0.0002 Å
• c: 29.3458 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9175.6 ± 0.2 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0372
• Goodness-of-fit parameter for significantly intense reflections: 0.875
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No