Information card for entry 4115929

Structure parameters

• Common name: [(N-(phosphonomethyl)-aza-18-crown-6*H2O))2*ClO4]
• Formula: C26 H61 Cl N2 O22 P2
• Calculated formula: C26 H61 Cl N2 O22 P2
• 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: 7.418 ± 0.001 Å
• b: 11.056 ± 0.002 Å
• c: 12.63 ± 0.002 Å
• α: 87.225 ± 0.004°
• β: 74.044 ± 0.003°
• γ: 85.097 ± 0.003°
• Cell volume: 991.9 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No