Information card for entry 4313086

Structure parameters

• Formula: C24 H29 Cl N3 O8 Re
• Calculated formula: C24 H29 Cl N3 O8 Re
• SMILES: [Re]1234([cH]5[cH]1[cH]2[cH]3[c]45C(=O)CCCC[NH+]1CC[NH+](CC1)c1c(OC)cccc1)(C#[O])(C#[O])C#[O].[Cl-].N(=O)(=O)[O-]
• Title of publication: Aqueous Synthesis of Derivatized Cyclopentadienyl Complexes of Technetium and Rhenium Directed toward Radiopharmaceutical Application
• Authors of publication: Jonathan Bernard; Kirstin Ortner; Bernhard Spingler; H.-J. Pietzsch; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1014 - 1022
• a: 15.7112 ± 0.0006 Å
• b: 6.8775 ± 0.0003 Å
• c: 25.5217 ± 0.0012 Å
• α: 90°
• β: 103.778 ± 0.005°
• γ: 90°
• Cell volume: 2678.4 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0483
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No