Information card for entry 7057523

Structure parameters

• Formula: C18 H18 Cd N4 O4
• Calculated formula: C18 H18 Cd N4 O4
• Title of publication: Two azo-functionalized luminescent 3D Cd(ii) MOFs for highly selective detection of Fe3+ and Al3+
• Authors of publication: Chand, Santanu; Mondal, Manas; Pal, Shyam Chand; Pal, Arun; Maji, Sinchan; Mandal, Debaprasad; Das, Madhab C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12865
• a: 11.265 ± 0.002 Å
• b: 13.097 ± 0.003 Å
• c: 12.563 ± 0.003 Å
• α: 90°
• β: 106.74 ± 0.03°
• γ: 90°
• Cell volume: 1775 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0175
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No