Information card for entry 4115930

Structure parameters

• Common name: [Cd4(N-(phosphonomethyl)-aza-18-crown-6*H2O))3*(H2O)5(NO3)4][NO3]
• Formula: C39 H97 Cd4 N8 O47 P3
• Calculated formula: C39 H81 Cd4 N8 O47 P3
• Title of publication: "Macrocyclic Leaflets"
• Authors of publication: C. V. Krishnamohan Sharma; Abraham Clearfield
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 1558 - 1559
• a: 17.136 ± 0.002 Å
• b: 20.818 ± 0.003 Å
• c: 20.858 ± 0.003 Å
• α: 90°
• β: 104.937 ± 0.002°
• γ: 90°
• Cell volume: 7189.4 ± 1.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• 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: 0.3459
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No