Information card for entry 4504703

Structure parameters

• Formula: C16 H28 N8 O10 Zn
• Calculated formula: C16 H28 N8 O10 Zn
• SMILES: c1c[nH]c2c3[n](cc[nH]3)[Zn]3([n]12)([OH2])([n]1cc[nH]c1c1[n]3cc[nH]1)[OH2].C(=O)(CCC(=O)[O-])[O-].O.O.O.O
• Title of publication: Toward the Recognition of Enolates/Dicarboxylates: Syntheses and X-ray Crystal Structures of Supramolecular Architectures of Zn(II)/Cd(II) Using 2,2‘-Biimidazole
• Authors of publication: Ghosh, A. K.; Jana, A. D.; Ghoshal, D.; Mostafa, G.; Chaudhuri, N. Ray
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 701
• a: 6.405 ± 0.0007 Å
• b: 18.0946 ± 0.0019 Å
• c: 10.2268 ± 0.001 Å
• α: 90°
• β: 100.503 ± 0.002°
• γ: 90°
• Cell volume: 1165.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No