Information card for entry 2230691

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquabis(4,4'-bipyridine-κ<i>N</i>)zinc -μ-L-tyrosinato-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^] nitrate dihydrate]
• Formula: C29 H32 N6 O9 Zn
• Calculated formula: C29 H32 N6 O9 Zn
• SMILES: [Zn]1(OC(=O)[C@@H]([NH2]1)Cc1ccc(O)cc1)([OH2])([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)[O]=C1O[Zn]([OH2])([NH2][C@H]1Cc1ccc(O)cc1)([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1ccncc1.O=N(=O)[O-].O.O.O=N(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[[aquabis(4,4'-bipyridine-κ<i>N</i>)zinc]-μ-<small>L</small>-tyrosinato-κ^3^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^] nitrate dihydrate]
• Authors of publication: Li, Shu-Qiang; Hu, Ning-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m884 - m885
• a: 12.737 ± 0.003 Å
• b: 10.351 ± 0.002 Å
• c: 12.921 ± 0.003 Å
• α: 90°
• β: 117.897 ± 0.005°
• γ: 90°
• Cell volume: 1505.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes