Information card for entry 7003715

Structure parameters

• Formula: C11 H11 Cd N O5
• Calculated formula: C11 H11 Cd N O5
• Title of publication: Syntheses, structures and properties of cadmium benzenedicarboxylate metal‒organic frameworks
• Authors of publication: Burrows, Andrew D.; Cassar, Kevin; Düren, Tina; Friend, Richard M. W.; Mahon, Mary F.; Rigby, Sean P.; Savarese, Teresa L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 18
• Pages of publication: 2465 - 2474
• a: 7.4523 ± 0.0009 Å
• b: 9.7764 ± 0.0012 Å
• c: 9.8469 ± 0.0012 Å
• α: 118.255 ± 0.002°
• β: 102.118 ± 0.002°
• γ: 91.358 ± 0.002°
• Cell volume: 611.51 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.6897 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No