Information card for entry 7121781

Structure parameters

• Formula: C22 H16 Co N6 S2
• Calculated formula: C22 H16 Co N6 S2
• Title of publication: Recyclable switching between nonporous and porous phases of a square lattice (sql) topology coordination network.
• Authors of publication: Wang, Shi-Qiang; Yang, Qing-Yuan; Mukherjee, Soumya; O'Nolan, Daniel; Patyk-Kaźmierczak, Ewa; Chen, Kai-Jie; Shivanna, Mohana; Murray, Claire; Tang, Chiu C.; Zaworotko, Michael J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 51
• Pages of publication: 7042 - 7045
• a: 12.099 ± 0.004 Å
• b: 11.399 ± 0.003 Å
• c: 16.538 ± 0.005 Å
• α: 90°
• β: 99.939 ± 0.013°
• γ: 90°
• Cell volume: 2246.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1586
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.3363
• Weighted residual factors for all reflections included in the refinement: 0.3577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No