Information card for entry 7024800

Structure parameters

• Formula: C51.37 H44.1 Br0.74 F3.8 N12 O9.8 Re2 S1.27
• Calculated formula: C51.365 H44.1 Br0.735 F3.795 N12 O9.795 Re2 S1.265
• 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: 10.2803 ± 0.0011 Å
• b: 18.7456 ± 0.0019 Å
• c: 30.539 ± 0.004 Å
• α: 90°
• β: 99.339 ± 0.005°
• γ: 90°
• Cell volume: 5807.2 ± 1.1 ų
• Cell temperature: 210 ± 1 K
• Ambient diffraction temperature: 210 ± 1 K
• Number of distinct elements: 8
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No