Information card for entry 7703509

Structure parameters

• Formula: C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4
• Calculated formula: C88 H224 Cl8 Cu12 N16 Na2 O115 Zn4
• Title of publication: A novel self-assembled Na{Cu₁₂Zn₄} multifunctional material: first report of a discrete coordination compound for detection of Ca²⁺ ions and selective adsorption of cationic dyes in water.
• Authors of publication: Iman, Khushboo; Shahid, M.; Ahmad, Musheer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3423 - 3433
• a: 26.6838 ± 0.001 Å
• b: 26.6838 ± 0.001 Å
• c: 12.9979 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9254.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No