Information card for entry 4000138

Structure parameters

• Formula: C10 H14.12 Cd N2 O20.39 Zr
• Calculated formula: C10 H14.12 Cd N2 O20.394 Zr
• Journal of publication: Chemistry of Materials
• Year of publication: 2002
• a: 9.105 ± 0.005 Å
• b: 9.105 ± 0.005 Å
• c: 23.656 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 1698.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 151
• Hermann-Mauguin space group symbol: P 31 1 2
• Hall space group symbol: P 31 2 (0 0 4)
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No