Information card for entry 7223153

Structure parameters

• Formula: C25 H15.5 Br4 N2.5 S
• Calculated formula: C25 H15.5 Br4 N2.5 S
• Title of publication: Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds
• Authors of publication: Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 47
• Pages of publication: 9111
• a: 8.1907 ± 0.0013 Å
• b: 9.497 ± 0.0015 Å
• c: 15.261 ± 0.002 Å
• α: 90.457 ± 0.003°
• β: 96.073 ± 0.004°
• γ: 98.192 ± 0.003°
• Cell volume: 1168.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No