Information card for entry 2205801

Structure parameters

• Chemical name: Bis(3-nitrobenzoato)bis(3-pyridylmethanol-N,O)copper(II) complex
• Formula: C26 H22 Cu N4 O10
• Calculated formula: C26 H22 Cu N4 O10
• SMILES: [Cu]1(OC(=O)c2cc(N(=O)=O)ccc2)(OC(=O)c2cc(N(=O)=O)ccc2)([OH]Cc2c[n](cc2)[Cu](OC(=O)c2cc(N(=O)=O)ccc2)(OC(=O)c2cc(N(=O)=O)ccc2)[OH]Cc2c[n]1ccc2)([n]1cc(CO)ccc1)[OH]Cc1cnccc1
• Title of publication: <i>catena</i>-Poly[[bis(2-nitrobenzoato-κ<i>O</i>)copper(II)]di-μ-3-pyridylmethanol-κ^2^<i>N</i>,<i>O</i>;κ^2^<i>O</i>:<i>N</i>]
• Authors of publication: Petra Stachová; Dušan Valigura; Marian Koman; Glowiak Tadeus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m994 - m996
• a: 6.692 ± 0.0013 Å
• b: 7.647 ± 0.0015 Å
• c: 12.997 ± 0.003 Å
• α: 83.72 ± 0.03°
• β: 77.11 ± 0.03°
• γ: 80.69 ± 0.03°
• Cell volume: 637.9 ± 0.2 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: 0.0259
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes