Information card for entry 4087883

Structure parameters

• Formula: C38 H37 B Ni O2 P2
• Calculated formula: C38 H37 B Ni O2 P2
• SMILES: B(c1ccc2c(c1)[P](C(C)C)(C(C)C)[Ni](C#[O])(C#[O])[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Zwitterionic Nickel(II) Catalyst for CO‒Ethylene Alternating Copolymerization
• Authors of publication: Jia, Xiaofei; Zhang, Mengru; Pan, Fan; Babahan, Ilknur; Ding, Kuiling; Jia, Li; Crandall, Laura A.; Ziegler, Christopher J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4798
• a: 9.8162 ± 0.0002 Å
• b: 10.3883 ± 0.0002 Å
• c: 18.4751 ± 0.0003 Å
• α: 93.847 ± 0.001°
• β: 92.589 ± 0.001°
• γ: 117.457 ± 0.001°
• Cell volume: 1661.82 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No