Information card for entry 2221777

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,4-bis(3-pyridylmethyl)piperazine]
• Formula: C16 H20 Cl2 N4 Zn
• Calculated formula: C16 H20 Cl2 N4 Zn
• SMILES: [Zn](Cl)(Cl)[n]1cc(ccc1)CN1CCN(CC1)Cc1c[n](ccc1)[Zn](Cl)(Cl)[n]1cc(ccc1)CN1CCN(CC1)Cc1cnccc1
• Title of publication: <i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,4-bis(3-pyridylmethyl)piperazine]
• Authors of publication: Hardy, Aaron M.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m537
• a: 11.4474 ± 0.0004 Å
• b: 13.0007 ± 0.0004 Å
• c: 12.4234 ± 0.0004 Å
• α: 90°
• β: 95.909 ± 0.002°
• γ: 90°
• Cell volume: 1839.08 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes