Information card for entry 1558320

Structure parameters

• Common name: sql-1,3-Co-NCS
• Formula: C24 H16 Co N10 S2
• Calculated formula: C24 H16 Co N10 S2
• Title of publication: Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene
• Authors of publication: Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 10.1578 ± 0.0019 Å
• b: 11.4859 ± 0.0018 Å
• c: 14.985 ± 0.003 Å
• α: 90°
• β: 106.365 ± 0.017°
• γ: 90°
• Cell volume: 1677.5 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2123
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.3547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No