Information card for entry 7016033

Structure parameters

• Formula: C97 H146 K N3 O7 Ta2
• Calculated formula: C97 H146 K N3 O7 Ta2
• Title of publication: Insertion and reduction chemistry of isocyanide with a cyclometalated ditantalum hydride complex.
• Authors of publication: Watanabe, Takahito; Kurogi, Takashi; Ishida, Yutaka; Kawaguchi, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7701 - 7703
• a: 16.441 ± 0.005 Å
• b: 17.51 ± 0.005 Å
• c: 17.751 ± 0.005 Å
• α: 99.987 ± 0.0015°
• β: 95.32 ± 0.003°
• γ: 109.979 ± 0.003°
• Cell volume: 4666 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No