Information card for entry 2239356

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-\ 3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]
• Formula: C18 H18 N4 O5 Zn
• Calculated formula: C18 H18 N4 O5 Zn
• SMILES: [Zn]123([OH2])[O]=C(OCC)C(=CN3c3c(N2C=C(C(OCC)=[O]1)C#N)cccc3)C#[N][Zn]123([OH2])[O]=C(OCC)C(=CN3c3c(N2C=C(C(OCC)=[O]1)C#N)cccc3)C#[N]
• Title of publication: <i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]
• Authors of publication: Fuchs, Monica; Zevaco, Thomas; Dinjus, Eckhard; Walter, Olaf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m187 - m188
• a: 13.9312 ± 0.0011 Å
• b: 9.2315 ± 0.0007 Å
• c: 27.423 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3526.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes