Information card for entry 2230840

Structure parameters

• Chemical name: Poly[[(1,10-phenanthroline)(μ-L-tartrato)zinc] hexahydrate]
• Formula: C16 H24 N2 O12 Zn
• Calculated formula: C16 H24 N2 O12 Zn
• SMILES: [Zn]123([n]4c5c6[n]1cccc6ccc5ccc4)(OC(=O)[C@@H]([C@H](C(=O)[O-])O)[OH]2)OC(=O)[C@H]([OH]3)[C@H]1[OH][Zn]2([n]3c4c5[n]2cccc5ccc4ccc3)OC1=O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Poly[[(1,10-phenanthroline)(μ-<small>L</small>-tartrato)zinc] hexahydrate]
• Authors of publication: Dong, Gui-Ying; He, Cui-Hong; Liu, Tong-Fei; Cui, Guang-Hua; Deng, Xiao-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m1005 - m1006
• a: 6.632 ± 0.002 Å
• b: 15.301 ± 0.004 Å
• c: 20.087 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2038.4 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes