Information card for entry 7212766

Structure parameters

• Formula: C23 H20 Cd N6 O6
• Calculated formula: C23 H16 Cd N6 O6
• Title of publication: Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands
• Authors of publication: Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2040
• a: 9.0752 ± 0.0005 Å
• b: 9.0752 ± 0.0005 Å
• c: 27.014 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2224.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No