Information card for entry 7107898

Structure parameters

• Formula: C88 H137 K N2 O14 Si Ta2
• Calculated formula: C88 H137 K N2 O14 Si Ta2
• Title of publication: Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes
• Authors of publication: Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6809
• a: 14.205 ± 0.002 Å
• b: 14.235 ± 0.002 Å
• c: 23.253 ± 0.004 Å
• α: 96.844 ± 0.002°
• β: 93.925 ± 0.003°
• γ: 99.634 ± 0.003°
• Cell volume: 4583.8 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No