Information card for entry 4114777

Structure parameters

• Formula: C32.5 H31 Cl Cr2 O8
• Calculated formula: C32.5 H31 Cl Cr2 O8
• Title of publication: Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure
• Authors of publication: Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5109 - 5116
• a: 12.7753 ± 0.0006 Å
• b: 13.2878 ± 0.0006 Å
• c: 18.6941 ± 0.0008 Å
• α: 77.804 ± 0.003°
• β: 89.098 ± 0.003°
• γ: 89.761 ± 0.002°
• Cell volume: 3101.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No