Information card for entry 7000547

Structure parameters

• Formula: C22 H40 Li N4
• Calculated formula: C22 H40 Li N4
• SMILES: C[N](C)(CC[N]1(C)C)[Li]12[N](C)(C)CC[N]2(C)C.c12ccccc1cccc2
• 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: 15.6106 ± 0.0019 Å
• b: 9.2603 ± 0.0011 Å
• c: 16.937 ± 0.002 Å
• α: 90°
• β: 107.232 ± 0.002°
• γ: 90°
• Cell volume: 2338.5 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No