Information card for entry 7101059

Structure parameters

• Formula: C42 H56 Fe3 Li6 N4
• Calculated formula: C42 H56 Fe3 Li6 N4
• SMILES: C[N]1(C)CC[N](C)(C)[Li]21[C]134[CH]5=[CH]6[CH]7=[CH]1[Fe]189%103567[C]356([CH]1=[CH]8[CH]9=[CH]%103)[Li]4[C]1347[CH]8=[CH]9[CH]%10=[CH]1[Fe]1%11%12%13389%10[C]3([CH]1=[CH]%11[CH]%12=[CH]%133)([Li]1([N](C)(C)CC[N]1(C)C)[C]1389[Fe]%10%11%12%13%14%15%16([C]%172([CH]%10=[CH]%11[CH]%12=[CH]%13%17)([Li]51)[Li]79)[CH]3=[CH]%14[CH]%15=[CH]8%16)[Li]64
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 21.42 ± 0.005 Å
• b: 10.73 ± 0.003 Å
• c: 17.83 ± 0.004 Å
• α: 90°
• β: 99.533 ± 0.017°
• γ: 90°
• Cell volume: 4041.4 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No