Information card for entry 7003673

Structure parameters

• Formula: C60 H108 Li4 N20 Sb4
• Calculated formula: C60 H108 Li4 N20 Sb4
• SMILES: c12c(cccc2)N2[Sb](N1[Li]13[N](CC[N]1(CC[N]3(C)C)C)(C)C)N1c3c(cccc3)N([Li]34[N](CC[N]3(CC[N]4(C)C)C)(C)C)[Sb]1N1c3c(cccc3)[N]([Li]34[N](CC[N]3(CC[N]4(C)C)C)(C)C)[Sb]1N1c3c(cccc3)N([Sb]21)[Li]12[N](CC[N]1(CC[N]2(C)C)C)(C)C
• Title of publication: π-Bonding versus oligomerisation in the aromatic anions [C6H4N2E]−: formation of the cyclic tetrameric tetraanion [C6H4N2Sb]44−
• Authors of publication: García, Felipe; Less, Robert J.; Naseri, Vesal; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 997 - 999
• a: 18.9905 ± 0.0009 Å
• b: 18.9905 ± 0.0009 Å
• c: 30.5264 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11009 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No