Information card for entry 4310091

Structure parameters

• Formula: C44 H40 Cd N14 O6
• Calculated formula: C44 H40 Cd N14 O6
• Title of publication: Non-Interpenetrated Square-Grid Coordination Polymers Synthesized Using an Extremely Long N,N'-Type Ligand
• Authors of publication: Chun-Long Chen; Andrea M. Goforth; Mark D. Smith; Cheng-Yong Su; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8762 - 8769
• a: 8.5646 ± 0.0005 Å
• b: 23.7881 ± 0.0013 Å
• c: 10.3148 ± 0.0006 Å
• α: 90°
• β: 90.796 ± 0.001°
• γ: 90°
• Cell volume: 2101.3 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No