Information card for entry 7041273

Structure parameters

• Chemical name: 2,?10-?Bis(1,?1-?dimethylethyl)?-?6-?dipyrido[1,?2-?c:2',?1'-?e]?imidazol-?5-?ium-6-yl-η5-cyclopentadienide lithium bis(trifluoromethylsulfonyl)imideamide
• Formula: C35 H37 F6 Li N3 O4 S2
• Calculated formula: C35 H37 F6 Li N3 O4 S2
• Title of publication: Synthesis of a lithium-cyclopentadienide complex by addition of LiNTf2 to a zwitterionic fulvalene.
• Authors of publication: Schmid, Dominic; Seyboldt, Alexander; Eichele, Klaus; Kunz, Doris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 29 - 32
• a: 11.279 ± 0.0003 Å
• b: 13.0907 ± 0.0004 Å
• c: 14.2729 ± 0.0004 Å
• α: 110.506 ± 0.002°
• β: 109.862 ± 0.002°
• γ: 94.502 ± 0.002°
• Cell volume: 1809.18 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No