Information card for entry 2224169

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquazinc(II)]-μ-piperazine-1,4-diacetato- κ^4^<i>N</i>^1^,<i>O</i>^1^:<i>N</i>^4^,<i>O</i>^4^]
• Formula: C8 H16 N2 O6 Zn
• Calculated formula: C8 H16 N2 O6 Zn
• SMILES: [Zn]1([OH2])([OH2])OC(=O)C[N]21CC[N]1(CC2)[Zn]2([OH2])([OH2])(OC(=O)C1)OC(=O)C[N]12CCN(CC1)CC(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaquazinc(II)]-μ-piperazine-1,4-diacetato-κ^4^<i>N</i>^1^,<i>O</i>^1^:<i>N</i>^4^,<i>O</i>^4^]
• Authors of publication: Bi, Jian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1561
• a: 6.367 ± 0.0001 Å
• b: 7.3116 ± 0.0001 Å
• c: 11.991 ± 0.0001 Å
• α: 90°
• β: 101.438 ± 0.001°
• γ: 90°
• Cell volume: 547.13 ± 0.012 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0198
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes