Information card for entry 7200980

Structure parameters

• Formula: C22 H17 Cu N3 O8
• Calculated formula: C22 H17 Cu N3 O8
• Title of publication: Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands
• Authors of publication: Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1666
• a: 14.0403 ± 0.0008 Å
• b: 9.0493 ± 0.0005 Å
• c: 17.2277 ± 0.001 Å
• α: 90°
• β: 106.962 ± 0.001°
• γ: 90°
• Cell volume: 2093.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No