Information card for entry 7113900

Structure parameters

• Formula: C5 H12 F6 P Se2 Tl
• Calculated formula: C5 H14 F6 P Se2 Tl
• Title of publication: Synthesis and structural features of the first thallium(I) selenoether derivatives
• Authors of publication: Hill, Nicholas J.; Levason, William; Light, Mark E.; Reid, Gillian
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 110 - 111
• a: 7.9081 ± 0.0003 Å
• b: 7.9111 ± 0.0003 Å
• c: 10.4005 ± 0.0004 Å
• α: 90°
• β: 101.932 ± 0.001°
• γ: 90°
• Cell volume: 636.62 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103632
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No