Information card for entry 4312493

Structure parameters

• Formula: C15 H18 Br N4 O4 Re
• Calculated formula: C15 H18 Br N4 O4 Re
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2cccn2C(C)(C)n2ccc[n]12.C(=O)(C)C
• 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: 8.5333 ± 0.0005 Å
• b: 9.948 ± 0.0005 Å
• c: 11.3607 ± 0.0006 Å
• α: 84.232 ± 0.001°
• β: 81.634 ± 0.001°
• γ: 83.35 ± 0.001°
• Cell volume: 944.28 ± 0.09 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: 0.0209
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No