Information card for entry 4104043

Structure parameters

• Formula: C155 H200 O20 Ta4
• Calculated formula: C155 H200 O20 Ta4
• Title of publication: Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex
• Authors of publication: Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3474 - 3475
• a: 20.306 ± 0.002 Å
• b: 24.091 ± 0.003 Å
• c: 34.887 ± 0.004 Å
• α: 80.559 ± 0.004°
• β: 78.017 ± 0.004°
• γ: 73.103 ± 0.003°
• Cell volume: 15876 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No