Information card for entry 4076000

Structure parameters

• Formula: C12 H15 Cr F6 O3 P
• Calculated formula: C12 H15 Cr F6 O3 P
• 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: 10.4586 ± 0.001 Å
• b: 11.5544 ± 0.0011 Å
• c: 26.008 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3142.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No