Information card for entry 7244224

Structure parameters

• Formula: C28 H29 I2 N Ni P2
• Calculated formula: C28 H29 I2 N Ni P2
• SMILES: [Ni]1(I)(I)[P](c2ccccc2)(c2ccccc2)N([P]1(c1ccccc1)c1ccccc1)C(C)(C)C
• Title of publication: Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes
• Authors of publication: Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2227 - 2236
• a: 15.4142 ± 0.0003 Å
• b: 10.0508 ± 0.0002 Å
• c: 18.3727 ± 0.0003 Å
• α: 90°
• β: 92.727 ± 0.001°
• γ: 90°
• Cell volume: 2843.17 ± 0.09 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.0165
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No