Information card for entry 7102957

Structure parameters

• Formula: C28 H28 N10 Ni O2 S2
• Calculated formula: C28 H28 N10 Ni O2 S2
• Title of publication: New supramolecular isomers with 2D 4(4) square-grid and 3D 6(5).8 frameworks in a one-pot synthesis; reversible solvent uptake and intriguing luminescence properties.
• Authors of publication: Wang, Chih-Chieh; Lin, Wei-Zeng; Huang, Wei-Ting; Ko, Mei-Ju; Lee, Gene-Hsiang; Ho, Mei-Lin; Lin, Chun-Wei; Shih, Chun-Wei; Chou, Pi-Tai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1299 - 1301
• a: 13.864 ± 0.0005 Å
• b: 13.8737 ± 0.0005 Å
• c: 21.1162 ± 0.0008 Å
• α: 90°
• β: 102.531 ± 0.001°
• γ: 90°
• Cell volume: 3964.8 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2827
• Weighted residual factors for all reflections included in the refinement: 0.3045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No