Information card for entry 7022522

Structure parameters

• Formula: C32 H32 Br2 N2 Ni
• Calculated formula: C32 H32 Br2 N2 Ni
• SMILES: Br[Ni]1([N](c2c(cccc2C)C)=C2C(=[N]1c1c(C(C)C)cccc1C(C)C)c1c3c2cccc3ccc1)Br
• Title of publication: Methylene-bridged bimetallic α-diimino nickel(II) complexes: synthesis and high efficiency in ethylene polymerization.
• Authors of publication: Kong, Shaoliang; Song, Kuifeng; Liang, Tongling; Guo, Cun-Yue; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9176 - 9187
• a: 10.642 ± 0.002 Å
• b: 20.891 ± 0.004 Å
• c: 13.085 ± 0.003 Å
• α: 90°
• β: 97.26 ± 0.03°
• γ: 90°
• Cell volume: 2885.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No