Information card for entry 4302276

Structure parameters

• Formula: C40 H62 Cl N2 O3 Ta
• Calculated formula: C40 H62 Cl N2 O3 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: 47.432 ± 0.002 Å
• b: 13.7447 ± 0.0007 Å
• c: 12.4876 ± 0.0006 Å
• α: 90°
• β: 100.51 ± 0.003°
• γ: 90°
• Cell volume: 8004.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No