Information card for entry 7251212

Structure parameters

• Common name: none
• Chemical name: N,N'-bis(9-(4-chlorophenyl)-9-thioxanthenyl)ethylenediamine 3-methylpyridine clathrate
• Formula: C46 H37 Cl2 N3 S2
• Calculated formula: C46 H37 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: 12.1499 ± 0.0016 Å
• b: 10.8322 ± 0.0016 Å
• c: 28.141 ± 0.004 Å
• α: 90°
• β: 94.231 ± 0.005°
• γ: 90°
• Cell volume: 3693.5 ± 0.9 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: 0.0449
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No