Information card for entry 2016803

Structure parameters

• Formula: C16 H9 Cu2 N2 O5
• Calculated formula: C16 H9 Cu2 N2 O5
• Title of publication: A mixed-valence copper coordination polymer generated by a hydrothermal metal/ligand redox reaction process
• Authors of publication: Wang, Xiu-Yan; Wang, Jia-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m330 - m332
• a: 5.2011 ± 0.0002 Å
• b: 23.5553 ± 0.0011 Å
• c: 12.2402 ± 0.0006 Å
• α: 90°
• β: 101.719 ± 0.001°
• γ: 90°
• Cell volume: 1468.33 ± 0.11 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: 0.0339
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes