Information card for entry 4306684

Structure parameters

• Formula: C13 H26 Cl2 P2 Ta
• Calculated formula: C13 H26 Cl2 P2 Ta
• SMILES: [Ta]12345(Cl)(Cl)([P](C)(C)C)([P](C)(C)C)[CH]6C[CH]5=[CH]4[CH]3=[CH]2[CH]1=6
• Title of publication: Mono(cycloheptatrienyl) Tantalum Chemistry: Synthesis and Characterization of New Tantalum Halide, Hydride, and Alkyl Species
• Authors of publication: Wontae Noh; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10682 - 10691
• a: 11.5356 ± 0.0015 Å
• b: 12.1675 ± 0.0016 Å
• c: 13.2211 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No