Information card for entry 7103796

Structure parameters

• Formula: C45.5 H29.5 Br5 Cl4.5 N4 Sb
• Calculated formula: C45.5 H29.5 Br5 Cl4.5 N4 Sb
• SMILES: [Sb]123(Br)(Br)n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.Br[Br-]Br.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Modulation of axial coordination in N-confused porphyrin‒antimony(V) dibromide complex by proton stimulus
• Authors of publication: Liu, Jia-Cheng; Ishizuka, Tomoya; Osuka, Atsuhiro; Furuta, Hiroyuki
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1908 - 1909
• a: 22.5586 ± 0.0003 Å
• b: 17.5209 ± 0.0003 Å
• c: 22.9152 ± 0.0004 Å
• α: 90°
• β: 90.0793 ± 0.0006°
• γ: 90°
• Cell volume: 9057.2 ± 0.3 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No