Information card for entry 7011028

Structure parameters

• Formula: C54 H74 As2 Li6 N10 O6
• Calculated formula: C54 H74 As2 Li6 N10 O6
• SMILES: [Li]123[O](C)c4c(cccc4)[N]41[Li]1([N](CC[N]1(C)C)(C)C)[N]1(c5c([O]6C)cccc5)([As]4[N]45[Li]78[O](C)c9c4cccc9)[Li]54[O](C)c2c(cccc2)[N]54[Li]4([N](CC[N]4(C)C)(C)C)[N]27(c2c([O]8C)cccc2)[As]5[N]32[Li]16[O](C)c1c2cccc1
• Title of publication: Synthesis, structures and coordination behaviour of [As(NR)3]3− trianions
• Authors of publication: Allan Bashall; Andrew D. Bond; Alexander D. Hopkins; Sara J. Kidd; Mary McPartlin; Alexander Steiner; Robert Wolf; Anthony D. Woods; Dominic S. Wright
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 343 - 351
• a: 14.1001 ± 0.0005 Å
• b: 12.9517 ± 0.0003 Å
• c: 15.8827 ± 0.0005 Å
• α: 90°
• β: 101.239 ± 0.002°
• γ: 90°
• Cell volume: 2844.88 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No