Information card for entry 4335604

Structure parameters

• Formula: C18 H16 N O5 Re
• Calculated formula: C18 H16 N O5 Re
• SMILES: [Re]1([N](=Cc2c(O1)cccc2)c1cc(ccc1)C)([OH]C)(C#[O])(C#[O])C#[O]
• Title of publication: Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)
• Authors of publication: Alice Brink; Hendrik G. Visser; Andreas Roodt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8950 - 8961
• a: 18.513 ± 0.006 Å
• b: 13.598 ± 0.006 Å
• c: 14.294 ± 0.005 Å
• α: 90°
• β: 106.443 ± 0.002°
• γ: 90°
• Cell volume: 3451 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No