Information card for entry 7721086

Structure parameters

• Common name: sql-1-Co-NCS?3TMB
• Formula: C49 H52 Co N6 S2
• Calculated formula: C49 H52 Co N6 S2
• Title of publication: Aromatic guest-induced layer expansion and phase switching in a 2D square lattice coordination network.
• Authors of publication: Wang, Shi-Qiang; Darwish, Shaza; Xu, Shan; Wang, Rong; Zaworotko, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 8033 - 8039
• a: 11.4865 ± 0.0005 Å
• b: 11.5252 ± 0.0006 Å
• c: 17.5412 ± 0.0009 Å
• α: 77.04 ± 0.002°
• β: 86.422 ± 0.002°
• γ: 88.358 ± 0.002°
• Cell volume: 2258.36 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No