Information card for entry 7241747

Structure parameters

• Formula: C28 H52 Cd3 N18 S6
• Calculated formula: C28 H52 Cd3 N18 S6
• Title of publication: On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems
• Authors of publication: Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 46
• Pages of publication: 8023 - 8035
• a: 14.6814 ± 0.0003 Å
• b: 17.4409 ± 0.0004 Å
• c: 17.6486 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4519.04 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No