Information card for entry 7223152

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: 9.182 ± 0.0018 Å
• b: 9.6642 ± 0.0019 Å
• c: 14.466 ± 0.003 Å
• α: 83.296 ± 0.004°
• β: 75.723 ± 0.004°
• γ: 73.399 ± 0.004°
• Cell volume: 1190.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No