Information card for entry 7007149

Structure parameters

• Common name: (N((C3F7)C(Mes)N)2)H-Mono
• Formula: C26 H23 F14 N3
• Calculated formula: C26 H23 F14 N3
• SMILES: N(C(=N\C(=N/c1c(cc(cc1C)C)C)C(C(C(F)(F)F)(F)F)(F)F)\C(C(C(F)(F)F)(F)F)(F)F)c1c(cc(cc1C)C)C
• Title of publication: Monomeric lithium triazapentadienyl complexes.
• Authors of publication: Dias, H. V. Rasika; Singh, Shreeyukta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 16
• Pages of publication: 1995 - 2000
• a: 8.6348 ± 0.0007 Å
• b: 31.192 ± 0.003 Å
• c: 20.2678 ± 0.0017 Å
• α: 90°
• β: 90.535 ± 0.001°
• γ: 90°
• Cell volume: 5458.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No