Information card for entry 4087585

Structure parameters

• Formula: C41 H48 N2 P Ta
• Calculated formula: C41 H48 N2 P Ta
• SMILES: [Ta]12([P](c3c(ccc(C)c3)N2c2c(cc(cc2C)C)C)(c2ccccc2)c2cc(ccc2N1c1c(C)cc(cc1C)C)C)(C)(C)C
• Title of publication: Hydrogenolysis of Tantalum Hydrocarbyl Complexes: Intermediates on the Road to a Dinuclear Tantalum Tetrahydride Derivative
• Authors of publication: Parker, Kyle D. J.; Nied, Dominik; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3546
• a: 11.4666 ± 0.0005 Å
• b: 12.4 ± 0.0005 Å
• c: 25.0796 ± 0.0011 Å
• α: 90°
• β: 99.4195 ± 0.0012°
• γ: 90°
• Cell volume: 3517.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0218
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0887
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No