Information card for entry 4304426

Structure parameters

• Formula: C20 H18 N3 O6 Re
• Calculated formula: C20 H18 N3 O6 Re
• SMILES: [Re]12([n]3ccccc3C[N]1(CC(=O)O2)CC(=O)NCc1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Convenient Route Leading to Neutralfac-M(CO)3(NNO) Complexes (M = Re,99mTc) Coupled to Amine Pharmacophores
• Authors of publication: Aris Chiotellis; Charalambos Tsoukalas; Maria Pelecanou; Catherine Raptopoulou; Aris Terzis; Minas Papadopoulos; Zetta Papadopoulou-Daifoti; Ioannis Pirmettis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2601 - 2607
• a: 12.396 ± 0.004 Å
• b: 14.44 ± 0.005 Å
• c: 12.701 ± 0.004 Å
• α: 90°
• β: 117.14 ± 0.01°
• γ: 90°
• Cell volume: 2023.1 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No