Information card for entry 7000548

Structure parameters

• Formula: C28 H46 Li2 N4
• Calculated formula: C28 H46 Li2 N4
• SMILES: C[N](C)(CC[N]1(C)C)[Li]1.c12c(cccc2)cccc1.c1ccccc1.C[N](C)(CC[N]1(C)C)[Li]1
• Title of publication: Structural characterization and bonding properties of lithium naphthalene radical anion, [Li+(TMEDA)2][C10H8˙−], and lithium naphthalene dianion [(Li+TMEDA)2C10H8−2]
• Authors of publication: Melero, Cristóbal; Guijarro, Albert; Yus, Miguel
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1286
• a: 8.7009 ± 0.0009 Å
• b: 9.0075 ± 0.0009 Å
• c: 10.1014 ± 0.0011 Å
• α: 101.93 ± 0.002°
• β: 98.277 ± 0.002°
• γ: 109.538 ± 0.002°
• Cell volume: 710.22 ± 0.13 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No