Information card for entry 1573826

Structure parameters

• Formula: C32 H47 Br3 N2 Ni2 O3
• Calculated formula: C32 H47 Br3 N2 Ni2 O3
• SMILES: Br[Ni]12([Br][Ni]3(Br)([O]1C(C(=[N]2c1c(cccc1C)C)C)(C(=[N]3c1c(cccc1C)C)C)C(C)C)[O]1CCCC1)[O]1CCCC1
• Title of publication: Binuclear Ni catalyzed ethylene copolymerization with short chain alkenol monomers
• Authors of publication: Lu, Yuan; Ji, Gang; Yu, Shuyang; Ning, Xiaoshan; Sun, Xiu-Li; Gao, Yanshan; Wang, Xiaoyan; Tang, Yong
• Journal of publication: Polymer Chemistry
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1146 - 1154
• a: 9.1461 ± 0.0002 Å
• b: 9.5974 ± 0.0002 Å
• c: 20.7405 ± 0.0005 Å
• α: 97.081 ± 0.001°
• β: 102.662 ± 0.001°
• γ: 92.41 ± 0.001°
• Cell volume: 1758.26 ± 0.07 ų
• Cell temperature: 235 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: 0.0492
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No