Information card for entry 7007767

Structure parameters

• Formula: C20 H26 Cd N4 O10
• Calculated formula: C20 H26 Cd N4 O10
• SMILES: [Cd]12345([o]6c7c8cccc7c7cccc(c67)C[NH]4CC[O]1CC[O]2CC[NH]5C8)([O]=N(=O)O3)[OH2].O=N(=O)[O-]
• Title of publication: Dioxadiaza- and trioxadiaza-macrocycles containing one dibenzofuran unit selective for cadmium.
• Authors of publication: Li, Feng; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5396 - 5403
• a: 8.4122 ± 0.0004 Å
• b: 17.2444 ± 0.0009 Å
• c: 15.3981 ± 0.0009 Å
• α: 90°
• β: 91.138 ± 0.005°
• γ: 90°
• Cell volume: 2233.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0566
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No