Information card for entry 7125753

Structure parameters

• Formula: C51 H45 Cl8 N5 P2 Ru
• Calculated formula: C51 H45 Cl8 N5 P2 Ru
• 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: 9.5141 ± 0.0005 Å
• b: 22.5212 ± 0.0009 Å
• c: 12.1912 ± 0.0007 Å
• α: 90°
• β: 98.997 ± 0.004°
• γ: 90°
• Cell volume: 2580.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No