Information card for entry 7041744

Structure parameters

• Chemical name: 2
• Formula: C22 H18 Cd N6 O7
• Calculated formula: C22 H18 Cd N6 O7
• Title of publication: Cd-Based metal-organic frameworks from solvothermal reactions involving in situ aldimine condensation and the highly sensitive detection of Fe(3+) ions.
• Authors of publication: Zhang, Xin; Wang, Zhong-Jie; Chen, Shu-Guang; Shi, Zhen-Zhen; Chen, Jin-Xi; Zheng, He-Gen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2332 - 2338
• a: 10.093 ± 0.0005 Å
• b: 17.1361 ± 0.0008 Å
• c: 13.4071 ± 0.0006 Å
• α: 90°
• β: 99.138 ± 0.001°
• γ: 90°
• Cell volume: 2289.39 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No