Information card for entry 4075298

Structure parameters

• Formula: C43 H40 F3 N3 O9 Re S
• Calculated formula: C43 H35 F3 N3 O9 Re S
• Title of publication: Luminescent Tricarbonylrhenium(I) Polypyridine Estradiol Conjugates: Synthesis, Crystal Structure, and Photophysical, Electrochemical, and Protein-Binding Properties
• Authors of publication: Lo, Kenneth Kam-Wing; Tsang, Keith Hing-Kit; Zhu, Nianyong
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3220
• a: 10.977 ± 0.002 Å
• b: 19.155 ± 0.004 Å
• c: 20.287 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4265.6 ± 1.5 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No