Information card for entry 7232017

Structure parameters

• Formula: C26 H28 Br9 N2 Sb
• Calculated formula: C26 H28 Br9 N2 Sb
• SMILES: Cc1cccc[n+]1Cc1ccccc1.[Br-][Sb](Br)(Br)(Br)(Br)Br.Br[Br-]Br.Cc1cccc[n+]1Cc1ccccc1
• 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: 8.9834 ± 0.0004 Å
• b: 10.2599 ± 0.0005 Å
• c: 10.3601 ± 0.0005 Å
• α: 94.223 ± 0.004°
• β: 102.737 ± 0.004°
• γ: 111.846 ± 0.004°
• Cell volume: 851.62 ± 0.08 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: 0.0469
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No