Information card for entry 7125745

Structure parameters

• Formula: C13 H14 N4 Se
• Calculated formula: C13 H14 N4 Se
• 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: 7.116 ± 0.0005 Å
• b: 7.0723 ± 0.0004 Å
• c: 14.8576 ± 0.001 Å
• α: 77.256 ± 0.005°
• β: 77.551 ± 0.005°
• γ: 63.341 ± 0.005°
• Cell volume: 645.92 ± 0.08 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: 0.0338
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No