Information card for entry 4071604

Structure parameters

• Formula: C76 H100 Cl4 O4 Ta2
• Calculated formula: C76 H100 Cl4 O4 Ta2
• Title of publication: Synthesis and Reactivity of Tantalum Complexes Supported by Bidentate X2and Tridentate LX2Ligands with Two Phenolates Linked to Pyridine, Thiophene, Furan, and Benzene Connectors: Mechanistic Studies of the Formation of a Tantalum Benzylidene and Insertion Chemistry for Tantalum−Carbon Bonds
• Authors of publication: Agapie, Theodor; Day, Michael W.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6123
• a: 11.2683 ± 0.0007 Å
• b: 17.5151 ± 0.0011 Å
• c: 18.2677 ± 0.0012 Å
• α: 88.748 ± 0.001°
• β: 88.572 ± 0.001°
• γ: 89.202 ± 0.001°
• Cell volume: 3603.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.622
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No