Information card for entry 7232016

Structure parameters

• Formula: C16 H24 Br9 N2 Sb
• Calculated formula: C16 H24 Br9 N2 Sb
• SMILES: CC[n+]1cccc(C)c1.Br[Sb](Br)(Br)(Br)([Br-])Br.Br[Br-]Br.CC[n+]1cccc(C)c1
• 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: 7.2472 ± 0.0003 Å
• b: 9.4088 ± 0.0005 Å
• c: 11.5541 ± 0.0005 Å
• α: 69.263 ± 0.004°
• β: 81.162 ± 0.004°
• γ: 71.303 ± 0.004°
• Cell volume: 697.2 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No