Information card for entry 4302274

Structure parameters

• Formula: C41 H55 Cl N3 O2 Ta
• Calculated formula: C41 H55 Cl N3 O2 Ta
• SMILES: [Ta]12(Cl)(Oc3c(cc(cc3c3[n]2c(ccc3)c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([NH](C)C)=Nc1ccccc1
• 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: 9.9628 ± 0.0005 Å
• b: 10.6118 ± 0.0005 Å
• c: 18.924 ± 0.0009 Å
• α: 80.804 ± 0.003°
• β: 89.355 ± 0.003°
• γ: 81.578 ± 0.003°
• Cell volume: 1953.54 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No