Information card for entry 7223154

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: 7.7119 ± 0.001 Å
• b: 10.6252 ± 0.0015 Å
• c: 15.117 ± 0.002 Å
• α: 98.268 ± 0.003°
• β: 99.55 ± 0.003°
• γ: 101.403 ± 0.003°
• Cell volume: 1177.3 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No