Information card for entry 2241869

Structure parameters

• Chemical name: Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropyl-1-(1-butylamidinato)guanidinato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^]bis[(tetrahydrofuran)lithium]
• Formula: C44 H90 Li2 N8 O2
• Calculated formula: C44 H90 Li2 N8 O2
• SMILES: [Li]12([O]3CCCC3)[N](C(C)C)=C(N(/C(=N/C(C)C)CCCC)C(C)C)[N]1(C(C)C)[Li]1([O]3CCCC3)[N](C(C)C)=C(N(/C(=N/C(C)C)CCCC)C(C)C)[N]12C(C)C
• Title of publication: Formation and structure of the first metal complexes comprising amidinoguanidinate ligands
• Authors of publication: Sroor, Farid M.; Liebing, Phil; Hrib, Cristian G.; Gräsing, Daniel; Hilfert, Liane; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1526 - 1531
• a: 9.93297 ± 0.00007 Å
• b: 13.7239 ± 0.0001 Å
• c: 18.0794 ± 0.00013 Å
• α: 90°
• β: 92.838 ± 0.0006°
• γ: 90°
• Cell volume: 2461.54 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes