Information card for entry 7232013

Structure parameters

• Formula: C14 H20 Br9 N2 Sb
• Calculated formula: C14 H20 Br9 N2 Sb
• SMILES: C[n+]1cccc(c1)C.Br[Sb](Br)(Br)(Br)(Br)[Br-].Br[Br-]Br.C[n+]1cccc(c1)C
• 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: 7.2611 ± 0.0008 Å
• b: 9.0862 ± 0.001 Å
• c: 11.1895 ± 0.0009 Å
• α: 67.617 ± 0.009°
• β: 87.457 ± 0.008°
• γ: 72.163 ± 0.01°
• Cell volume: 647.61 ± 0.13 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: 0.0678
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No