Information card for entry 2228437

Structure parameters

• Chemical name: Bis[μ~2~-1,1-(butane-1,4-diyl)-2,3- dicyclohexylguanidinato]bis[(tetrahydrofuran)lithium](<i>Li—Li</i>)
• Formula: C42 H76 Li2 N6 O2
• Calculated formula: C42 H76 Li2 N6 O2
• SMILES: [Li]12([O]3CCCC3)[N](C3CCCCC3)=C(N3CCCC3)[N]1(C1CCCCC1)[Li]1([O]3CCCC3)[N](C3CCCCC3)=C(N3CCCC3)[N]12(C1CCCCC1)
• Title of publication: Bis[μ~2~-1,1-(butane-1,4-diyl)-2,3-dicyclohexylguanidinato]bis[(tetrahydrofuran)lithium](<i>Li{—</i>Li})
• Authors of publication: Han, Hongfei; Li, Wenjuan; Li, Haoyang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1579
• a: 10.446 ± 0.006 Å
• b: 21.454 ± 0.015 Å
• c: 10.491 ± 0.006 Å
• α: 90°
• β: 114.13 ± 0.04°
• γ: 90°
• Cell volume: 2146 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes