Information card for entry 4073897

Structure parameters

• Formula: C28 H44 N P2 Ta
• Calculated formula: C28 H44 N P2 Ta
• SMILES: c12c(ccc(c2)C)N2[Ta](=C)([P]1(C(C)C)C(C)C)([P](c1cc(ccc21)C)(C(C)C)C(C)C)=C
• Title of publication: Bis(methylidene) Complex of Tantalum Supported by a PNP Ligand
• Authors of publication: Gerber, Laura C. H.; Watson, Lori A.; Parkin, Sean; Weng, Wei; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4866
• a: 11.5592 ± 0.0002 Å
• b: 9.3509 ± 0.0002 Å
• c: 12.8516 ± 0.0002 Å
• α: 90°
• β: 95.836 ± 0.001°
• γ: 90°
• Cell volume: 1381.92 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No