Information card for entry 2204680

Structure parameters

• Chemical name: catena-poly[[aquabis(p-nitrobenzoate-κO)copper(II)]- μ-1,4-diazabicyclo[2.2.2]octane-κ^2^N:N']
• Formula: C20 H22 Cu N4 O9
• Calculated formula: C20 H22 Cu N4 O9
• Title of publication: The infinite one-dimensional polymer <i>catena</i>-poly[[aquabis(<i>p</i>-nitrobenzoato-κ<i>O</i>)copper(II)]-μ-1,4-diazabicyclo[2.2.2]octane-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Zhi-Dong Lin; Lu, Jin-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1798 - m1800
• a: 6.8202 ± 0.0014 Å
• b: 25.024 ± 0.005 Å
• c: 6.1958 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1057.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes