Information card for entry 2215634

Structure parameters

• Chemical name: Tetraaqua(2,2'-bipyridine)zinc(II) 4,4'-(6-diethylamino-1,3,5-triazine-2,4-diyldiimino)dibenzenesulfonate
• Formula: C29 H36 N8 O10 S2 Zn
• Calculated formula: C29 H36 N8 O10 S2 Zn
• SMILES: c1[n]2[Zn]([n]3ccccc3c2ccc1)([OH2])([OH2])([OH2])[OH2].c1(nc(nc(n1)N(CC)CC)Nc1ccc(S(=O)(=O)[O-])cc1)Nc1ccc(S(=O)(=O)[O-])cc1
• Title of publication: Tetraaqua(2,2'-bipyridine)zinc(II) 4,4'-(6-diethylamino-1,3,5-triazine-2,4-diyldiimino)dibenzenesulfonate
• Authors of publication: Jie Chen; Yuzhong Ruan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2586 - m2586
• a: 12.758 ± 0.003 Å
• b: 21.015 ± 0.006 Å
• c: 12.828 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3439.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes