Information card for entry 4504700

Structure parameters

• Formula: C16 H20 Cd N8 O8 W0
• Calculated formula: C16 H20 Cd N8 O8
• SMILES: c1c[nH]c2c3[n]([Cd]4([n]12)([n]1cc[nH]c1c1[n]4cc[nH]1)([OH2])[OH2])cc[nH]3.C1(=O)C([O-])=C([O-])C1=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: 7.7751 ± 0.0018 Å
• b: 7.9949 ± 0.0018 Å
• c: 9.853 ± 0.002 Å
• α: 95.115 ± 0.003°
• β: 104.819 ± 0.003°
• γ: 114.478 ± 0.002°
• Cell volume: 525.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No