Information card for entry 7024836

Structure parameters

• Formula: C6 H6 Cl Cu N3 O4
• Calculated formula: C6 H6 Cl Cu N3 O4
• 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: 7.6851 ± 0.001 Å
• b: 13.4524 ± 0.0017 Å
• c: 9.301 ± 0.0013 Å
• α: 90°
• β: 97.565 ± 0.007°
• γ: 90°
• Cell volume: 953.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No