Information card for entry 4331996

Structure parameters

• Formula: C16 H25.5 K1.2 N2 Na0.8 O14.75 S2
• Calculated formula: C16 H14 K1.195 N2 Na0.805 O14.75 S2
• Title of publication: Supramolecuar Motifs in s-Block Metal-Bound Sulfonated Monoazo Dyes: The Case of Orange G
• Authors of publication: Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; Whyte, Lynda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2965 - 2971
• a: 8.9908 ± 0.0006 Å
• b: 10.4007 ± 0.0008 Å
• c: 14.9963 ± 0.0012 Å
• α: 83.349 ± 0.003°
• β: 85.054 ± 0.005°
• γ: 70.227 ± 0.005°
• Cell volume: 1309.09 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No