Information card for entry 4076001

Structure parameters

• Formula: C33 H38 Cr N2 O2.5
• Calculated formula: C33 H38 Cr N2 O2.5
• Title of publication: Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers
• Authors of publication: Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4461
• a: 42.1994 ± 0.0018 Å
• b: 8.4552 ± 0.0004 Å
• c: 37.1949 ± 0.0016 Å
• α: 90°
• β: 115.834 ± 0.0007°
• γ: 90°
• Cell volume: 11945 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No