Information card for entry 7024480

Structure parameters

• Formula: C59 H106 Mo2 O6 Zn6
• Calculated formula: C59 H106 Mo2 O6 Zn6
• Title of publication: Activation of C-H bonds mediated by Mo[triple bond]Mo moieties in heterobimetallic Zn/O/Mo clusters.
• Authors of publication: Ma, Jian-Gong; Aksu, Yilmaz; Gregoriades, Laurence J.; Sauer, Joachim; Driess, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 103 - 106
• a: 22.7275 ± 0.0013 Å
• b: 12.9852 ± 0.0007 Å
• c: 22.7275 ± 0.0013 Å
• α: 90°
• β: 97.0973 ± 0.0011°
• γ: 90°
• Cell volume: 6656 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No