Information card for entry 7207348

Structure parameters

• Formula: C24 H16 I4 O4 Tl4
• Calculated formula: C24 H16 I4 O4 Tl4
• SMILES: [Tl]12[O]3([Tl]4[O]1([Tl]1[O]4([Tl]3[O]21c1ccc(I)cc1)c1ccc(I)cc1)c1ccc(I)cc1)c1ccc(I)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: 10.0853 ± 0.0005 Å
• b: 15.7875 ± 0.0008 Å
• c: 10.31 ± 0.0005 Å
• α: 90°
• β: 104.334 ± 0.002°
• γ: 90°
• Cell volume: 1590.47 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No