Information card for entry 4318178

Structure parameters

• Formula: C27 H18 Cl F15 N5 O Re
• Calculated formula: C27 H18 Cl F15 N5 O Re
• SMILES: [Re]12(Cl)(=O)[N](CCCNc3c(c(c(c(c3F)F)F)F)F)(CCN1c1c(c(c(c(c1F)F)F)F)F)CCN2c1c(c(c(c(c1F)F)F)F)F.C(#N)C
• 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: 7.912 ± 0.002 Å
• b: 14.281 ± 0.003 Å
• c: 14.801 ± 0.003 Å
• α: 72.2 ± 0.03°
• β: 74.91 ± 0.03°
• γ: 89.59 ± 0.03°
• Cell volume: 1532.6 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No