Information card for entry 4513457

Structure parameters

• Formula: C51 H29 Cd4 N13 O45
• Calculated formula: C51 H29 Cd4 N13 O45
• Title of publication: Metal‒Organic Frameworks Built from a Linear Rigid Dicarboxylate and Different Colinkers: Trap of the Keto Form of Ethylacetoacetate, Luminescence and Ferroelectric Studies
• Authors of publication: Pal, Tapan K.; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4526
• a: 12.177 ± 0.005 Å
• b: 13.175 ± 0.005 Å
• c: 15.814 ± 0.005 Å
• α: 66.028 ± 0.005°
• β: 87.249 ± 0.005°
• γ: 89.986 ± 0.005°
• Cell volume: 2315 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No