Information card for entry 7223155

Structure parameters

• Formula: C27 H22 Br4 N2 S
• Calculated formula: C27 H22 Br4 N2 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: 9.488 ± 0.004 Å
• b: 10.506 ± 0.006 Å
• c: 13.679 ± 0.008 Å
• α: 88.73 ± 0.04°
• β: 76.54 ± 0.04°
• γ: 78.5 ± 0.04°
• Cell volume: 1299 ± 1.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No