Information card for entry 7041882

Structure parameters

• Formula: C35 H61 N6 Na2 Zn2
• Calculated formula: C35 H61 N6 Na2 Zn2
• SMILES: [Zn]123([Zn]4([N]2(Cc2n1ccc2)C(C)(C)C)(n1cccc1C[N]34C(C)(C)C)CC)CC.[Na+].[Na+].N(C)(C)CCN(C)C.c1(ccccc1)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: 8.8441 ± 0.0005 Å
• b: 17.0429 ± 0.001 Å
• c: 28.1718 ± 0.0017 Å
• α: 90°
• β: 95.578 ± 0.002°
• γ: 90°
• Cell volume: 4226.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No