Information card for entry 7024837

Structure parameters

• Formula: C4 H4 Cu N3 O3
• Calculated formula: C4 H4 Cu N3 O3
• Title of publication: Facile synthesis of anion dependent versatile Cu(I) and mixed-valent porous Cu(I)/Cu(II) frameworks.
• Authors of publication: Mohapatra, Sudip; Maji, Tapas Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3412 - 3419
• a: 7.9915 ± 0.0005 Å
• b: 6.5796 ± 0.0004 Å
• c: 12.0511 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 633.66 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No