Information card for entry 2230842

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diformatocopper(II)]-μ-1,4-bis(imidazol-1-yl)benzene]
• Formula: C14 H12 Cu N4 O4
• Calculated formula: C14 H12 Cu N4 O4
• SMILES: [Cu](OC=O)(OC=O)([n]1cn(cc1)c1ccc(cc1)n1c[n](cc1)[Cu](OC=O)OC=O)[n]1cn(cc1)c1ccc(cc1)n1cncc1
• Title of publication: <i>catena</i>-Poly[[diformatocopper(II)]-μ-1,4-bis(imidazol-1-yl)benzene]
• Authors of publication: Chen, Bang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m996
• a: 8.0971 ± 0.0016 Å
• b: 10.426 ± 0.002 Å
• c: 8.5723 ± 0.0017 Å
• α: 90°
• β: 107.02 ± 0.03°
• γ: 90°
• Cell volume: 692 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes