Information card for entry 2242627

Structure parameters

• Chemical name: (η^4^-Cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate
• Formula: C37 H48 N4 Ni O
• Calculated formula: C37 H48 N4 Ni O
• Title of publication: Crystal structure of (η^4^-cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate
• Authors of publication: Yamamoto, Carlos D.; Zhang, Zijie; Stieber, Sabine Chantal E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1396 - 1399
• a: 10.5557 ± 0.0007 Å
• b: 35.308 ± 0.002 Å
• c: 8.5951 ± 0.0005 Å
• α: 90°
• β: 99.591 ± 0.002°
• γ: 90°
• Cell volume: 3158.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes