Information card for entry 4084403

Structure parameters

• Formula: C32 H44 N Ni P
• Calculated formula: C32 H44 N Ni P
• SMILES: [Ni]1([P](=C(c2[n]1cccc2)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand
• Authors of publication: Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5365
• a: 8.8649 ± 0.0018 Å
• b: 17.627 ± 0.004 Å
• c: 18.778 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2934.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No