Information card for entry 7117919

Structure parameters

• Formula: C62 H108 B2 Cr2 N14 O2
• Calculated formula: C62 H108 B2 Cr2 N14 O2
• 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: 9.4997 ± 0.0007 Å
• b: 26.8005 ± 0.0019 Å
• c: 14.0071 ± 0.001 Å
• α: 90°
• β: 95.321 ± 0.001°
• γ: 90°
• Cell volume: 3550.8 ± 0.4 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: 0.0862
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No