Information card for entry 7101493

Structure parameters

• Formula: C19 H22 Br N6 O3 Re
• Calculated formula: C19 H22 Br N6 O3 Re
• Title of publication: Aqueous preparation and physiological stability studies of Re(CO)3(tripodal) compounds
• Authors of publication: Richard S. Herrick; Tim J. Brunker; Caroline Maus; Kerianne Crandall; Anil Cetin; Christopher J. Ziegler
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 41
• a: 11.9161 ± 0.0018 Å
• b: 11.8438 ± 0.0018 Å
• c: 15.996 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2257.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No