Information card for entry 2206940

Structure parameters

• Chemical name: Bis(ethylenediamine)zinc(II) bis(2-sulfanilamidopyrimidine) trihydrate
• Formula: C24 H40 N12 O7 S2 Zn
• Calculated formula: C24 H40 N12 O7 S2 Zn
• SMILES: c1([N-]S(=O)(=O)c2ccc(cc2)N)ncccn1.c1cc(ccc1N)S(=O)(=O)[N-]c1ncccn1.C1C[NH2][Zn]2([NH2]CC[NH2]2)[NH2]1.O.O.O
• Title of publication: <i>trans-</i>Diaquabis(ethylenediamine)zinc(II) 2-(sulfanilamido)pyrimidine monohydrate
• Authors of publication: Işık, Şamil; Köysal, Yavuz; Yavuz, Metin; Heren, Zerrin; Vurucu, Leyla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2066 - m2068
• a: 13.74 ± 0.0005 Å
• b: 14.6581 ± 0.0007 Å
• c: 15.9408 ± 0.0006 Å
• α: 90°
• β: 94.51 ± 0.003°
• γ: 90°
• Cell volume: 3200.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes