Information card for entry 7038119

Structure parameters

• Formula: C18 H24 Bi2 Br11 N3
• Calculated formula: C18 H24 Bi2 Br11 N3
• Title of publication: Trapping molecular bromine: a one-dimensional bromobismuthate complex with Br2 as a linker.
• Authors of publication: Adonin, S. A.; Gorokh, I. D.; Abramov, P. A.; Plyusnin, P. E.; Sokolov, M. N.; Fedin, V. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3691 - 3693
• a: 15.0999 ± 0.0003 Å
• b: 10.6848 ± 0.0002 Å
• c: 22.747 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3669.99 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P c a m
• Hall space group symbol: -P 2c 2ac
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No