Information card for entry 7117925

Structure parameters

• Formula: C49 H63 B Cr N6 O
• Calculated formula: C49 H63 B Cr N6 O
• Title of publication: Mechanism-based design of labile precursors for chromium(I) chemistry
• Authors of publication: Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15402
• a: 11.0663 ± 0.001 Å
• b: 18.0587 ± 0.0016 Å
• c: 23.05 ± 0.002 Å
• α: 90°
• β: 96.87 ± 0.002°
• γ: 90°
• Cell volume: 4573.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No