Information card for entry 7017253

Structure parameters

• Formula: C13 H9 Cu N3 O3
• Calculated formula: C13 H9 Cu N3 O3
• Title of publication: Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.
• Authors of publication: Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12374 - 12380
• a: 15.507 ± 0.003 Å
• b: 7.084 ± 0.0014 Å
• c: 20.918 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.9 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No