Information card for entry 4312492

Structure parameters

• Formula: C46.75 H34 Br N4 O3.5 Re
• Calculated formula: C46.75 H34 Br N4 O3.5 Re
• Title of publication: Synthesis and Properties of Rhenium Carbonyl Complexes of α,α'-Bis[(1-pyrenyl)pyrazol-1-yl]alkane Ligands
• Authors of publication: Daniel L. Reger; James R. Gardinier; Perry J. Pellechia; Mark D. Smith; Kenneth J. Brown
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7635 - 7643
• a: 8.6491 ± 0.0008 Å
• b: 14.6714 ± 0.0013 Å
• c: 17.238 ± 0.0016 Å
• α: 66.333 ± 0.002°
• β: 78.312 ± 0.002°
• γ: 83.869 ± 0.002°
• Cell volume: 1961.1 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0706
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No