Information card for entry 7026396

Structure parameters

• Formula: C28 H36 Cd N6 O18 Sr2
• Calculated formula: C28 H36 Cd N6 O18 Sr2
• Title of publication: Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).
• Authors of publication: Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10719 - 10728
• a: 17.4938 ± 0.0004 Å
• b: 17.4938 ± 0.0004 Å
• c: 13.2142 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4044 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No