Information card for entry 7251213

Structure parameters

• Common name: none
• Chemical name: N,N'-bis(9-(4-chlorophenyl)-9-thioxanthenyl)ethylenediamine pyridine clathrate
• Formula: C45 H35 Cl2 N3 S2
• Calculated formula: C45 H35 Cl2 N3 S2
• Title of publication: Chloro-containing host compounds with fused tricyclic moieties and diamino linkers: host ability and affinity behaviour in pyridine/methylpyridines
• Authors of publication: Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 11.031 ± 0.002 Å
• b: 11.772 ± 0.002 Å
• c: 28.132 ± 0.006 Å
• α: 90°
• β: 92.86 ± 0.007°
• γ: 90°
• Cell volume: 3648.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No