Information card for entry 7005780

Structure parameters

• Common name: [Re(CO)3{MeOCH2C(pz)3}]Br (2)
• Formula: C15 H14 Br Cl0 N6 O4 Re
• Calculated formula: C17 H11 Br N6 O5.67 Re
• Title of publication: Rhenium and technetium tricarbonyl complexes anchored by pyrazole-based tripods: novel lead structures for the design of myocardial imaging agents.
• Authors of publication: Maria, Leonor; Cunha, Susana; Videira, Margarida; Gano, Lurdes; Paulo, António; Santos, Isabel C.; Santos, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3010 - 3019
• a: 11.376 ± 0.005 Å
• b: 20.119 ± 0.005 Å
• c: 23.566 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5394 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P b n b
• Hall space group symbol: -P 2bc 2ab
• Residual factor for all reflections: 0.2386
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2431
• Weighted residual factors for all reflections included in the refinement: 0.2973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No