Information card for entry 4000137

Structure parameters

• Formula: C8 H15.84 Cd N2 O19.92 Zr
• Calculated formula: C8 H15.84 Cd N2 O19.92 Zr
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 9.061 ± 0.005 Å
• b: 9.061 ± 0.005 Å
• c: 23.394 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 1663.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 181
• Hermann-Mauguin space group symbol: P 64 2 2
• Hall space group symbol: P 64 2 (0 0 2)
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No