Information card for entry 4348107

Structure parameters

• Formula: C15 H14 N3 O3 Re
• Calculated formula: C15 H14 N3 O3 Re
• SMILES: c1cc2CN3CCN4C(=O)c5cccc[n]5[Re]34(=O)Oc2cc1
• Title of publication: Synthesis of Oxorhenium(V) and Oxotechnetium(V) Complexes That Bind to Amyloid-β Plaques.
• Authors of publication: Hayne, David J.; White, Jonathan M.; McLean, Catriona A.; Villemagne, Victor L.; Barnham, Kevin J.; Donnelly, Paul S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7944 - 7953
• a: 12.4901 ± 0.0004 Å
• b: 8.0225 ± 0.0004 Å
• c: 13.8963 ± 0.0004 Å
• α: 90°
• β: 100.626 ± 0.003°
• γ: 90°
• Cell volume: 1368.56 ± 0.09 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.0344
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No