Information card for entry 7220140

Structure parameters

• Formula: C23 H18 Cd N6 O6
• Calculated formula: C23 H16 Cd N6 O6
• Title of publication: Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands
• Authors of publication: Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.042 ± 0.003 Å
• b: 9.042 ± 0.003 Å
• c: 27.231 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2226.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No