Information card for entry 7207346

Structure parameters

• Formula: C6 H3 Cl2 O Tl
• Calculated formula: C6 H3 Cl2 O Tl
• 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: 3.8883 ± 0.0004 Å
• b: 19.8849 ± 0.0019 Å
• c: 9.7499 ± 0.0008 Å
• α: 90°
• β: 94.92 ± 0.005°
• γ: 90°
• Cell volume: 751.07 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No