Information card for entry 4117217

Structure parameters

• Common name: Ta2(μ-H)2Cl2(Cy2N)4
• Formula: C48 H90 Cl2 N4 Ta2
• Calculated formula: C48 H90 Cl2 N4 Ta2
• Title of publication: A Wonderful Bond That Wasn't There: Reformulation of a Compound "Containing a Ta-Ta Bond without Bridging Ligands" as [(Cy~2~N)~2~ClTa(μ-H)]~2~
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 12449 - 12450
• a: 42.234 ± 0.005 Å
• b: 10.804 ± 0.001 Å
• c: 22.765 ± 0.002 Å
• α: 90°
• β: 94.702 ± 0.008°
• γ: 90°
• Cell volume: 10352.6 ± 1.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.0804
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No