Information card for entry 7013098

Structure parameters

• Formula: C64 H72 As2 Li6 N4 O4
• Calculated formula: C64 H72 As2 Li6 N4 O4
• SMILES: [Li]123[N]45(c6c([O]2c2ccccc2)cccc6)[Li]2[N]6([As]4CCCC)([Li]4([CH2]12CCC)[O](c1c6cccc1)c1ccccc1)[Li]12[N]64(c4c([O]2c2ccccc2)cccc4)[Li]2[N]43([As]6CCCC)[Li]5([CH2]12CCC)[O](c1c4cccc1)c1ccccc1
• Title of publication: A bis(imido)organoarsenate dianion incorporating n-butyllithium
• Authors of publication: Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Slattery, John M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2103
• a: 10.996 ± 0.002 Å
• b: 21.075 ± 0.004 Å
• c: 12.603 ± 0.003 Å
• α: 90°
• β: 95.78 ± 0.03°
• γ: 90°
• Cell volume: 2905.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No