Information card for entry 2236344

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate 4,4'-bipyridine hemisolvate monohydrate]
• Formula: C27 H26 N7 O9 Zn
• Calculated formula: C27 H26 N7 O9 Zn
• SMILES: [Zn]1([n]2cccc3c2c2[n]1cccc2cc3)([n]1ccc(c2ccncc2)cc1)([OH2])([OH2])[n]1ccc(cc1)c1cc[n]([Zn]2([n]3cccc4c3c3[n]2cccc3cc4)([OH2])[OH2])cc1.[n]1ccc(c2ccncc2)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate 4,4'-bipyridine hemisolvate monohydrate]
• Authors of publication: Xu, Shan; Dai, Yong-Cheng; Qiu, Qi-Ming; Jin, Qiong-Hua; Zhang, Cun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1222 - m1223
• a: 11.391 ± 0.0011 Å
• b: 13.0561 ± 0.0013 Å
• c: 19.8509 ± 0.0018 Å
• α: 90°
• β: 103.487 ± 0.001°
• γ: 90°
• Cell volume: 2870.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes