Information card for entry 7703716

Structure parameters

• Formula: C28 H27 N6 O6 Re S
• Calculated formula: C28 H27 N6 O6 Re S
• SMILES: C12N(C=CN2C)CC[N]2([Re]=1(OC(=O)C2)(C#[O])(C#[O])C#[O])CC(=O)Nc1cc2sc(nc2cc1)c1ccc(N(C)C)cc1
• Title of publication: Charge neutral rhenium tricarbonyl complexes of tridentate N-heterocyclic carbene ligands that bind to amyloid plaques of Alzheimer's disease.
• Authors of publication: Wiratpruk, Nuchareenat; Noor, Asif; McLean, Catriona A.; Donnelly, Paul S.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4559 - 4569
• a: 7.20011 ± 0.00012 Å
• b: 7.20961 ± 0.00014 Å
• c: 27.7581 ± 0.0007 Å
• α: 91.5713 ± 0.0019°
• β: 93.4633 ± 0.0018°
• γ: 108.362 ± 0.0016°
• Cell volume: 1363.42 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.046
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No