Information card for entry 7015250

Structure parameters

• Formula: C18 H26 F3 N4 O8 Re
• Calculated formula: C18 H26 F3 N4 O8 Re
• SMILES: [Re]12([n]3n(CC[N]1(CC[NH2]2)CCCC(=O)O)c(cc3C)C)(C#[O])(C#[O])C#[O].[O-]C(=O)C(F)(F)F.O
• Title of publication: 99mTc(CO)3-labeled pamidronate and alendronate for bone imaging.
• Authors of publication: Palma, Elisa; Correia, João D G; Oliveira, Bruno L.; Gano, Lurdes; Santos, Isabel C.; Santos, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2787 - 2796
• a: 8.7619 ± 0.0002 Å
• b: 20.2966 ± 0.0005 Å
• c: 39.1115 ± 0.0008 Å
• α: 90°
• β: 95.429 ± 0.001°
• γ: 90°
• Cell volume: 6924.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No