Information card for entry 7212610

Structure parameters

• Formula: C12 H16 Cd N4 O6
• Calculated formula: C12 H16 Cd N4 O6
• Title of publication: Helix-based supramolecular isomerism of metal‒organic framework
• Authors of publication: Sang, Rui-Li; Xu, Li
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3579
• a: 16.007 ± 0.0004 Å
• b: 16.007 ± 0.0004 Å
• c: 24.156 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6189.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No