Information card for entry 4318179

Structure parameters

• Formula: C56 H42 Br Cl14 F30 N8 O Re2
• Calculated formula: C56 H42 Br Cl14 F30 N8 O Re2
• Title of publication: Unsymmetrical Tren-Based Ligands: Synthesis and Reactivity of Rhenium Complexes
• Authors of publication: Nadia C. Mösch-Zanetti; Sinje Köpke; Regine Herbst-Irmer; Manuel Hewitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3513 - 3520
• a: 13.316 ± 0.002 Å
• b: 17.316 ± 0.002 Å
• c: 18.332 ± 0.002 Å
• α: 76 ± 0.02°
• β: 81.54 ± 0.02°
• γ: 68.25 ± 0.02°
• Cell volume: 3801.7 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No