Information card for entry 4306685

Structure parameters

• Formula: C13 H25 Cl P2 Ta
• Calculated formula: C13 H25 Cl P2 Ta
• SMILES: [Ta]123456(Cl)([P](C)(C)C)([P](C)(C)C)[cH]7[cH]1[cH]2[cH]3[cH]4[cH]5[cH]67
• 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: 6.689 ± 0.003 Å
• b: 12.867 ± 0.005 Å
• c: 9.599 ± 0.004 Å
• α: 90°
• β: 91.052 ± 0.006°
• γ: 90°
• Cell volume: 826 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No