Information card for entry 2229697

Structure parameters

• Chemical name: Bis(1-methyl-4-oxoimidazolidin-2-iminium) diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zincate(II) dihydrate
• Formula: C22 H30 N8 O14 Zn
• Calculated formula: C22 H30 N8 O14 Zn
• SMILES: c12cc(cc[n]2[Zn]2(OC1=O)([n]1c(cc(cc1)C(=O)[O-])C(=O)O2)([OH2])[OH2])C(=O)[O-].C1(N(CC(=O)N1)C)=[NH2+].O.C1(N(CC(=O)N1)C)=[NH2+].O
• Title of publication: Bis(1-methyl-4-oxoimidazolidin-2-iminium) diaquabis(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)zincate(II) dihydrate
• Authors of publication: Aghabozorg, Hossein; Jafarbak, Fatemeh; Mirzaei, Masoud; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m435 - m436
• a: 5.3209 ± 0.0011 Å
• b: 8.3893 ± 0.0017 Å
• c: 16.621 ± 0.003 Å
• α: 81.58 ± 0.03°
• β: 85.26 ± 0.03°
• γ: 74.09 ± 0.03°
• Cell volume: 705.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes