Information card for entry 2205231

Structure parameters

• Chemical name: [N,N'-Bis(2,4-dimethylbenzene)-2,3-dimethyl-1,4-diazabuta-1,3-diene]- fac-tricarbonyl(trifluoroacetato)rhenium(I)
• Formula: C25 H24 F3 N2 O5 Re
• Calculated formula: C25 H24 F3 N2 O5 Re
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2,4-dimethylbenzene)-2,3-dimethyl-1,4-diazabuta-1,3-diene]-<i>fac</i>-tricarbonyl(trifluoroacetato)rhenium(I)
• Authors of publication: Kia, Reza; Mirkhani, Valiollah; Deák, Andrea; Kálmán, Alajos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m566 - m567
• a: 12.818 ± 0.003 Å
• b: 13.026 ± 0.003 Å
• c: 16.554 ± 0.004 Å
• α: 90°
• β: 106.07 ± 0.02°
• γ: 90°
• Cell volume: 2656 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes