Information card for entry 4501282

Structure parameters

• Common name: Cu-Nitroisophthalate
• Formula: C32 H12 Cu5 N4 O26
• Calculated formula: C32 H12 Cu5 N4 O26
• Title of publication: Usefulness of in Situ Single Crystal to Single Crystal Transformation (SCSC) Studies in Understanding the Temperature-Dependent Dimensionality Cross-over and Structural Reorganization in Copper-Containing Metal‒Organic Frameworks (MOFs)
• Authors of publication: Sarma, Debajit; Natarajan, Srinivasan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5415
• a: 9.855 ± 0.001 Å
• b: 10.2262 ± 0.0012 Å
• c: 11.2271 ± 0.0012 Å
• α: 87.016 ± 0.009°
• β: 64.142 ± 0.01°
• γ: 68.121 ± 0.01°
• Cell volume: 936.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No