Information card for entry 3000422

Structure parameters

• Formula: C18 H18 N2 Na2 O8
• Authors of publication: Nikodem KUŹNIK; Kusz, Joachim; Książek, Maria
• Journal of publication: To be published
• a: 8.6872 ± 0.0002 Å
• b: 5.8744 ± 0.0001 Å
• c: 19.0522 ± 0.0006 Å
• α: 90°
• β: 98.906 ± 0.002°
• γ: 90°
• Cell volume: 960.55 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No