Information card for entry 4504704

Structure parameters

• Formula: C16 H24 Cd N8 O8
• Calculated formula: C16 H24 Cd N8 O8
• SMILES: c1c[nH]c2c3[n](cc[nH]3)[Cd]3([n]12)([n]1cc[nH]c1c1[n]3cc[nH]1)([OH2])[OH2].C(=O)(CCC(=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: 7.645 ± 0.0008 Å
• b: 7.9146 ± 0.0008 Å
• c: 9.9039 ± 0.001 Å
• α: 95.08 ± 0.002°
• β: 95.424 ± 0.002°
• γ: 112.68 ± 0.002°
• Cell volume: 545.32 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No