Information card for entry 7041883

Structure parameters

• Formula: C34 H70 Li2 N8 Zn2
• Calculated formula: C34 H70 Li2 N8 Zn2
• SMILES: [Zn]12([N]3(C(C)(C)C)[Zn]4([N]56[CH]7=[CH]8[CH]9=[C]5(C3)[Li]35%10%116789[N]71[C]3(C[N]24C(C)(C)C)=[CH]%10[CH]5=[CH]%117)CC)CC.[N]1([Li]2([N](CC1)(C)C)[N](C)(C)CC[N]2(C)C)(C)C
• Title of publication: Structural diversity of alkali-metal (Li, Na, K) alkyl zincates containing bidentate aminopyrrolyl ligands: from molecular complexes to coordination polymers.
• Authors of publication: Guo, Zhiqiang; Wang, Yakong; Cao, Wei; Chao, Jianbin; Wei, Xuehong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2765 - 2769
• a: 11.449 ± 0.003 Å
• b: 21.793 ± 0.006 Å
• c: 17.029 ± 0.005 Å
• α: 90°
• β: 94.983 ± 0.006°
• γ: 90°
• Cell volume: 4233 ± 2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No