Information card for entry 4116839

Structure parameters

• Formula: C15 H53 B3 P6 Ta2
• Calculated formula: C15 H53 B3 P6 Ta2
• SMILES: [Ta]12345([Ta]6([H][BH3])([BH]1([H]2)[H]6)([P](C[P]5(C)C)(C)C)([P](C[P]3(C)C)(C)C)[P](C[P]4(C)C)(C)C)[H][BH3]
• Title of publication: Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 9594 - 9599
• a: 17.076 ± 0.002 Å
• b: 11.663 ± 0.002 Å
• c: 15.8577 ± 0.0008 Å
• α: 90°
• β: 99.257 ± 0.008°
• γ: 90°
• Cell volume: 3117 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.0799
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No