Information card for entry 2205271

Structure parameters

• Chemical name: catena-Poly[N-methylpiperazinium(2+) [[bis(oxalato-κ^2^-O,O')zirconate(IV)]-μ~2~-oxalato-κ^4^O,O':O'',O''']]
• Formula: C11 H14 N2 O12 Zr
• Calculated formula: C11 H14 N2 O12 Zr
• SMILES: [Zr]1234(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)(OC(=O)C(=O)O3)[O]=C1O[Zr]23(OC1=[O]4)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[NH+]1(CC[NH2+]CC1)C.[NH+]1(CC[NH2+]CC1)C
• Title of publication: <i>catena</i>-Poly[<i>N</i>-methylpiperazinium(2+) [[bis(oxalato-κ^2^<i>O</i>,<i>O</i>')zirconate(IV)]-μ~2~-oxalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']]
• Authors of publication: Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m491 - m493
• a: 9.5936 ± 0.0005 Å
• b: 11.3569 ± 0.0005 Å
• c: 13.9792 ± 0.0007 Å
• α: 90°
• β: 108.023 ± 0.001°
• γ: 90°
• Cell volume: 1448.35 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.021
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No