Information card for entry 2008791

Structure parameters

• Chemical name: catena-Poly[bis(benzimidazole-N^3^)copper(II)-μ-sebacato-O,O':O'',O'''] Dihydrate
• Formula: C24 H32 Cu N4 O6
• Calculated formula: C24 H32 Cu N4 O6
• SMILES: [Cu]([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)OC(=O)CCCCCCCCC(=O)O[Cu]([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)OC(=O)CCCCCCCCC(=O)[O-].O.O
• Title of publication: <i>catena</i>-Poly[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-suberato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] and <i>catena</i>-poly[[[bis(benzimidazole-<i>N</i>^3^)copper(II)]-μ-sebacato-<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] dihydrate]
• Authors of publication: Sieroń, Lesław; Bukowska-Strzyżewska, Maria
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1230 - 1234
• a: 6.85 ± 0.004 Å
• b: 9.071 ± 0.003 Å
• c: 11.208 ± 0.004 Å
• α: 74.68 ± 0.03°
• β: 74.46 ± 0.03°
• γ: 71.13 ± 0.03°
• Cell volume: 622.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No