Information card for entry 4085411

Structure parameters

• Formula: C15 H19 Br N2 Ni
• Calculated formula: C15 H19 Br N2 Ni
• SMILES: [Ni]123456(=C7N(C=CN7CC=C)C[CH]1=[CH2]2)[c]1(C)[cH]3[cH]4[cH]5[cH]61.[Br-]
• Title of publication: Synthesis, Structure, and Solution Dynamic Behavior of Nickel Complexes Bearing a 1,3-Diallyl-Substituted NHC Ligand
• Authors of publication: Włodarska, Agata; Kozioł, Andrzej; Dranka, Maciej; Gryff-Keller, Adam; Szczeciński, Przemysław; Jurkowski, Jakub; Pietrzykowski, Antoni
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 577
• a: 7.26228 ± 0.00016 Å
• b: 12.0198 ± 0.0003 Å
• c: 16.8199 ± 0.0004 Å
• α: 90°
• β: 90.642 ± 0.002°
• γ: 90°
• Cell volume: 1468.14 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No