Information card for entry 2018762

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^- bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]
• Formula: C38 H38 N12 O12 Zn
• Calculated formula: C38 H38 N12 O12 Zn
• SMILES: [Zn]1([OH2])([OH2])([n]2cccc(c2)CNC(=O)c2nc(ccc2)C(=O)NCc2ccc[n](c2)[Zn]([OH2])([OH2])[n]2cccc(CNC(=O)c3nc(ccc3)C(=O)NCc3ccc[n]1c3)c2)([n]1cccc(c1)CNC(=O)c1nc(ccc1)C(=O)NCc1cccnc1)[n]1cccc(c1)CNC(=O)c1nc(ccc1)C(=O)NCc1cccnc1.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]
• Authors of publication: Li, Fa-Zhan; Li, Guo-Ting
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: 33 - 36
• a: 8.8956 ± 0.0018 Å
• b: 10.161 ± 0.002 Å
• c: 11.233 ± 0.002 Å
• α: 77.14 ± 0.03°
• β: 86.51 ± 0.03°
• γ: 84.8 ± 0.03°
• Cell volume: 984.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes