Information card for entry 7117922

Structure parameters

• Formula: C57 H95 B2 Cr2 N12 O4.5
• Calculated formula: C57 H95 B2 Cr2 N12 O4.5
• 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: 12.973 ± 0.002 Å
• b: 14.797 ± 0.003 Å
• c: 18.908 ± 0.003 Å
• α: 71.013 ± 0.003°
• β: 74.824 ± 0.003°
• γ: 73.01 ± 0.003°
• Cell volume: 3226.1 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No