Information card for entry 7125744

Structure parameters

• Formula: C14 H16 N4 S
• Calculated formula: C14 H16 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: 17.423 ± 0.002 Å
• b: 11.8598 ± 0.001 Å
• c: 6.6646 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No