Information card for entry 2238878

Structure parameters

• Chemical name: Poly[di-μ~9~-citrato-tetrasodiumzinc]
• Formula: C12 H10 Na4 O14 Zn
• Calculated formula: C12 H10 Na4 O14 Zn
• SMILES: C(=O)(CC12C(=O)O[Zn]34(OC(=O)C1)([OH]2)OC(=O)C(CC(=O)[O-])(CC(=O)O3)[OH]4)[O-].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Poly[di-μ~9~-citrato-tetrasodiumzinc]
• Authors of publication: Ma, Yu-Hong; Yang, Hong-Wei; Hao, Jing-Tuan; Ma, Pi-Zhuang; Yao, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m672
• a: 7.9642 ± 0.0016 Å
• b: 12.53 ± 0.003 Å
• c: 8.709 ± 0.0017 Å
• α: 90°
• β: 113.66 ± 0.03°
• γ: 90°
• Cell volume: 796 ± 0.3 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: 0.049
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No