Information card for entry 7102045

Structure parameters

• Formula: C15 H16 Cd N4 O5
• Calculated formula: C15 H16 Cd N4 O5
• Title of publication: Homochiral H-bonded proline based metal organic frameworks.
• Authors of publication: Ingleson, Michael J; Bacsa, John; Rosseinsky, Matthew J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 29
• Pages of publication: 3036 - 3038
• a: 9.5774 ± 0.0012 Å
• b: 11.8132 ± 0.0015 Å
• c: 14.7182 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No