Information card for entry 7125763

Structure parameters

• Formula: C36 H36 Br2 Cu2 N8 Ni2
• Calculated formula: C36 H36 Br2 Cu2 N8 Ni2
• 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: 9.5888 ± 0.0012 Å
• b: 20.771 ± 0.002 Å
• c: 9.4041 ± 0.0012 Å
• α: 90°
• β: 112.364 ± 0.009°
• γ: 90°
• Cell volume: 1732.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2746
• Weighted residual factors for all reflections included in the refinement: 0.3287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No