Information card for entry 4304128

Structure parameters

• Formula: C17 H22 Ta
• Calculated formula: C17 H22 Ta
• Title of publication: Synthesis and Characterization of the Cycloheptatrienyl Tantalum "Mixed-Sandwich" Compounds (C5R5)Ta(C7H7)
• Authors of publication: Wontae Noh; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 535 - 542
• a: 10.3622 ± 0.0004 Å
• b: 12.3659 ± 0.0006 Å
• c: 11.3394 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1453.01 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No