Information card for entry 2007734

Structure parameters

• Chemical name: Poly[bis(benzimidazole-N^3^)copper(II)-μ-aqua-μ- acetylenedicarboxylato-O:O']
• Formula: C18 H14 Cu N4 O5
• Calculated formula: C18 H14 Cu N4 O5
• SMILES: [Cu](OC(=O)C#CC(=O)O[Cu](OC(=O)C#CC(=O)[O-])([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12.O.O
• Title of publication: Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-acetylenedicarboxylato-<i>O</i>:<i>O</i>'-μ-aqua] and Poly[bis(benzimidazole-<i>N</i>^3^)copper(II)-μ-aqua-μ-fumarato-<i>O</i>:<i>O</i>']
• Authors of publication: Sieroń, Lesław; Bukowska-Strzyżewska, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1431 - 1435
• a: 12.167 ± 0.001 Å
• b: 14.712 ± 0.002 Å
• c: 10.18 ± 0.001 Å
• α: 90°
• β: 103.48 ± 0.01°
• γ: 90°
• Cell volume: 1772 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No