Information card for entry 7126939

Structure parameters

• Formula: C38 H44 Br2 N2 S2 Sn
• Calculated formula: C38 H44 Br2 N2 S2 Sn
• Title of publication: Aggregation induced emission - emissive stannoles in the solid state.
• Authors of publication: Ramirez Y Medina, Isabel-Maria; Rohdenburg, Markus; Lork, Enno; Staubitz, Anne
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 68
• Pages of publication: 9775 - 9778
• a: 18.204 ± 0.003 Å
• b: 9.6686 ± 0.0013 Å
• c: 22.537 ± 0.003 Å
• α: 90°
• β: 112.803 ± 0.013°
• γ: 90°
• Cell volume: 3656.7 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No