Information card for entry 1569008

Structure parameters

• Formula: C108.28 H157.32 Li6 N6
• Calculated formula: C94 H124 Li6 N6
• SMILES: [Li]123[N]4([Li]5[N]67[Li]89[N]%10%11[Li]([N]%1218[c]18[Li]%13%14%15%16%17%18%19%20%21([c]41[cH]%13[c]%14([cH]%15[c]8%16C(c1cc(cc%10c%121)C(C)(C)C)(C)C)C(C)(C)C)[c]17[c]%17([cH]%18[cH]%19[cH]%20[c]%211C(C)C)C(C)C)[N]2([c]12[Li]478%10%12%13%14%15%16([c]%17%11[c]%12([cH]%10[cH]8[cH]7[c]4%17C(C)C)C(C)C)[c]41[N]359c1c6cc(cc1C([c]%134[cH]%14[c]%15([cH]2%16)C(C)(C)C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A crystalline T-shaped planar group 14 anion.
• Authors of publication: Liu, Xiaona; Dai, Yuyang; Bao, Manling; Wang, Wenjuan; Li, Qianli; Liu, Chunmeng; Wang, Xinping; Su, Yuanting
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5722 - 5727
• a: 14.4571 ± 0.0007 Å
• b: 42.796 ± 0.002 Å
• c: 15.4362 ± 0.0009 Å
• α: 90°
• β: 94.595 ± 0.003°
• γ: 90°
• Cell volume: 9519.8 ± 0.8 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0975
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No