Information card for entry 7207349

Structure parameters

• Formula: C24 H12 Br4 Cl4 O4 Tl4
• Calculated formula: C24 H12 Br4 Cl4 O4 Tl4
• SMILES: [Tl]12[O]3(c4c(Br)cc(Cl)cc4)[Tl]4[O]2([Tl]2[O]1(c1c(Br)cc(Cl)cc1)[Tl]3[O]42c1c(Br)cc(Cl)cc1)c1c(Br)cc(Cl)cc1
• Title of publication: Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures
• Authors of publication: Akhbari, Kamran; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1618
• a: 17.4773 ± 0.0007 Å
• b: 17.4773 ± 0.0007 Å
• c: 10.2912 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3143.51 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No