Information card for entry 7232010

Structure parameters

• Formula: C16 H24 Br9 N2 Sb
• Calculated formula: C16 H24 Br9 N2 Sb
• SMILES: C[n+]1ccc(cc1)CC.[Br-][Sb](Br)(Br)(Br)(Br)Br.Br[Br-]Br.C[n+]1ccc(cc1)CC
• Title of publication: Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks
• Authors of publication: Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 850
• a: 8.4645 ± 0.0004 Å
• b: 13.0802 ± 0.0006 Å
• c: 13.1574 ± 0.0006 Å
• α: 90°
• β: 105.702 ± 0.005°
• γ: 90°
• Cell volume: 1402.39 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No