Information card for entry 7241762

Structure parameters

• Formula: C40 H36 Cd2 N8 O8
• Calculated formula: C40 H36 Cd2 N8 O8
• Title of publication: Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels
• Authors of publication: Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 617 - 628
• a: 29.63 ± 0.002 Å
• b: 29.63 ± 0.002 Å
• c: 8.9973 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7899.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.98 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No