Information card for entry 7007150

Structure parameters

• Common name: (N((C3F7)C(Mes)N)2)Li(THF)2
• Formula: C34 H37 F14 Li N3 O2
• Calculated formula: C34 H37 F14 Li N3 O2
• SMILES: [Li]1([O]2CCCC2)(N(C(=NC(=[N]1c1c(cc(cc1C)C)C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1c(cc(cc1C)C)C)[O]1CCCC1
• 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: 9.4688 ± 0.0004 Å
• b: 15.9577 ± 0.0006 Å
• c: 12.6133 ± 0.0005 Å
• α: 90°
• β: 104.568 ± 0.001°
• γ: 90°
• Cell volume: 1844.6 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No