Information card for entry 4302273

Structure parameters

• Formula: C40 H62.5 Cl N3 O2.75 Ta
• Calculated formula: C40 H62.5 Cl N3 O2.75 Ta
• Title of publication: Amine, Amido, and Imido Complexes of Tantalum Supported by a Pyridine-Linked Bis(phenolate) Pincer Ligand: Ta‒N π-Bonding Influences Pincer Ligand Geometry
• Authors of publication: Tonks, Ian A.; Henling, Larry M.; Day, Michael W.; Bercaw, John E.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5096 - 5105
• a: 14.7164 ± 0.0006 Å
• b: 18.337 ± 0.0007 Å
• c: 31.2188 ± 0.0013 Å
• α: 90°
• β: 101.802 ± 0.002°
• γ: 90°
• Cell volume: 8246.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 2.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No