Information card for entry 4083291

Structure parameters

• Formula: C26 H38 I Ni P2
• Calculated formula: C26 H38 I Ni P2
• SMILES: I[Ni]123[P](c4c([CH]1=[CH]3c1c([P]2(C(C)C)C(C)C)cccc1)cccc4)(C(C)C)C(C)C
• 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: 8.0612 ± 0.0015 Å
• b: 15.333 ± 0.003 Å
• c: 21.312 ± 0.004 Å
• α: 90°
• β: 91.438 ± 0.003°
• γ: 90°
• Cell volume: 2633.4 ± 0.9 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: 0.0352
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No