Information card for entry 7125748

Structure parameters

• Formula: C13 H14 N4 S
• Calculated formula: C13 H14 N4 S
• Title of publication: Imidazolium-benzimidazolates as convenient sources of donor-functionalised normal and abnormal N-heterocyclic carbenes.
• Authors of publication: Kureja, Kunal; Zinke, Julian; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 65
• Pages of publication: 9705 - 9708
• a: 6.9905 ± 0.0008 Å
• b: 7.0369 ± 0.0008 Å
• c: 14.519 ± 0.0014 Å
• α: 78.264 ± 0.008°
• β: 78.151 ± 0.008°
• γ: 64.286 ± 0.008°
• Cell volume: 624.46 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No