Information card for entry 4314337

Structure parameters

• Formula: C14 H23 N2 O4 Re
• Calculated formula: C14 H23 N2 O4 Re
• SMILES: [Re]123(OC(=CC(=[N]1CCC[N]3=C(C=C(O2)C)C)C)C)(OC)=O
• Title of publication: Synthesis and Characterization of Novel Rhenium(V) Tetradentate N2O2 Schiff Base Monomer and Dimer Complexes
• Authors of publication: Paul D. Benny; Charles L. Barnes; Pamela M. Piekarski; John D. Lydon; Silvia S. Jurisson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6519 - 6527
• a: 6.7104 ± 0.0008 Å
• b: 27.844 ± 0.003 Å
• c: 8.2292 ± 0.0009 Å
• α: 90°
• β: 92.197 ± 0.002°
• γ: 90°
• Cell volume: 1536.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No