Information card for entry 2007191

Structure parameters

• Chemical name: Catena-(Propionato)(di-2-pyridylamine)-nitrato-copper(II)
• Formula: C13 H14 Cu N4 O5
• Calculated formula: C13 H14 Cu N4 O5
• SMILES: [Cu]12([n]3ccccc3Nc3[n]1cccc3)(OC(=[O]2)CC)ON(=O)(=O)
• Title of publication: <i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>']
• Authors of publication: Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 451 - 453
• a: 12.615 ± 0.002 Å
• b: 9.514 ± 0.001 Å
• c: 13.721 ± 0.001 Å
• α: 90°
• β: 116.58 ± 0.01°
• γ: 90°
• Cell volume: 1472.7 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 0.985
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No