Information card for entry 7046608

Structure parameters

• Chemical name: PROBLEM: _diffrn_measured_fraction_theta_full Low ....... 0.938 NoteRESPONSE: This was a difficult crystal, data collection took about two daysto collect. It was twinned, integration parameters had to beadjusted to avoid excessive numbers of rejected reflections as peakshapes were not too good but even then enough bad reflections were rejectedso that the coverage is not > 0.95.
• Formula: C26 H26 N4
• Calculated formula: C26 H26 N4
• 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: 6.2469 ± 0.0005 Å
• b: 11.8129 ± 0.0008 Å
• c: 15.222 ± 0.0012 Å
• α: 69.327 ± 0.004°
• β: 88.425 ± 0.004°
• γ: 85.373 ± 0.004°
• Cell volume: 1047.54 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No