Information card for entry 7024801

Structure parameters

• Formula: C27 H21 Cl F3 N8 O6 Re
• Calculated formula: C27 H21 Cl F3 N8 O6 Re
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[n]3ccccc3C[N]1(Cc1cccc[n]21)Cc1cn(CC(=O)Nc2ccc(c(c2)C(F)(F)F)N(=O)=O)nn1.[Cl-]
• Title of publication: "Click" labeling strategy for M(CO)(3) (M = Re, (99m)Tc) prostate cancer targeted flutamide agents.
• Authors of publication: Moore, Adam L.; Bucar, Dejan-Kresimir; Macgillivray, Leonard R.; Benny, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 1926 - 1928
• a: 31.824 ± 0.004 Å
• b: 11.2317 ± 0.0012 Å
• c: 16.0096 ± 0.0017 Å
• α: 90°
• β: 90.604 ± 0.005°
• γ: 90°
• Cell volume: 5722.1 ± 1.1 ų
• Cell temperature: 210 ± 1 K
• Ambient diffraction temperature: 210 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No