Information card for entry 7703717

Structure parameters

• Formula: C30 H32 Cl2 N5 O6 Re
• Calculated formula: C30 H32 Cl2 N5 O6 Re
• SMILES: [Re]12(OC(=O)C[N]1(CC(=O)Nc1ccc(cc1)/C=C/c1ccc(N(C)C)cc1)CCN1C=2N(C=C1)C)(C#[O])(C#[O])C#[O].ClCCl
• 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: 15.6976 ± 0.0011 Å
• b: 11.3209 ± 0.0005 Å
• c: 19.2779 ± 0.001 Å
• α: 90°
• β: 109.671 ± 0.007°
• γ: 90°
• Cell volume: 3226 ± 0.3 ų
• Cell temperature: 136 ± 5 K
• Ambient diffraction temperature: 136 ± 5 K
• Number of distinct elements: 6
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No