Information card for entry 1569853

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dinicotinamide]
• Formula: C34 H32 Cu N4 O12
• Calculated formula: C34 H32 Cu N4 O12
• Title of publication: catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]
• Authors of publication: Pumford, Sean R.; LaDuca, Robert L.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• a: 7.9413 ± 0.0013 Å
• b: 10.4614 ± 0.0016 Å
• c: 11.3198 ± 0.0018 Å
• α: 70.6534 ± 0.0018°
• β: 87.8784 ± 0.0019°
• γ: 73.9621 ± 0.0018°
• Cell volume: 851.2 ± 0.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.04
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No