Information card for entry 7046610

Structure parameters

• Formula: C140 H176 Cl4.72 Hg2 I3.28 N16 O2 S2 Te4
• Calculated formula: C140 H176 Cl4.717 Hg2 I3.283 N16 O2 S2 Te4
• Title of publication: Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.
• Authors of publication: Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9114 - 9127
• a: 14.6614 ± 0.0005 Å
• b: 29.0126 ± 0.001 Å
• c: 17.4747 ± 0.0006 Å
• α: 90°
• β: 107.564 ± 0.004°
• γ: 90°
• Cell volume: 7086.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No