Information card for entry 7230652

Structure parameters

• Formula: C18 H16 I K N6
• Calculated formula: C18 H16 I K N6
• Title of publication: Controlling the crystal growth of potassium iodide with 1,1´-bis(pyridin-4-ylmethyl)-2,2´-biimidazole ligand (L) - formation of linear [K4I4L4]n polymer with cubic [K4I4] core units
• Authors of publication: Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti
• Journal of publication: CrystEngComm
• Year of publication: 2018
• a: 23.5606 ± 0.00019 Å
• b: 23.5606 ± 0.00019 Å
• c: 6.92267 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3842.79 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No