Information card for entry 7022523

Structure parameters

• Formula: C65 H64 Br4 N4 Ni2
• Calculated formula: C65 H64 Br4 N4 Ni2
• SMILES: Br[Ni]1(Br)[N](=C2C(=[N]1c1c(C)cccc1C)c1c3c(cccc23)ccc1)c1c(C(C)C)cc(cc1C(C)C)Cc1cc(c([N]2[Ni](Br)(Br)[N](=C3C=2c2cccc4c2c3ccc4)c2c(cccc2C)C)c(C(C)C)c1)C(C)C
• 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: 10.69 ± 0.006 Å
• b: 15.864 ± 0.008 Å
• c: 21.146 ± 0.009 Å
• α: 73.538 ± 0.019°
• β: 80.11 ± 0.02°
• γ: 86.028 ± 0.017°
• Cell volume: 3387 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.177
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.3112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No