Information card for entry 4083286

Structure parameters

• Formula: C26 H37 Cl Ni P2
• Calculated formula: C26 H37 Cl Ni P2
• SMILES: [Ni]12(C(c3c([P]1(C(C)C)C(C)C)cccc3)=Cc1c([P]2(C(C)C)C(C)C)cccc1)Cl
• Title of publication: Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone
• Authors of publication: Barrett, Brittany J.; Iluc, Vlad M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2565
• a: 8.8598 ± 0.001 Å
• b: 9.8216 ± 0.0011 Å
• c: 29.245 ± 0.003 Å
• α: 90°
• β: 97.096 ± 0.002°
• γ: 90°
• Cell volume: 2525.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No