Information card for entry 7022524

Structure parameters

• Formula: C73 H80 Br4 N4 Ni2
• Calculated formula: C73 H80 Br4 N4 Ni2
• SMILES: Br[Ni]1(Br)[N](=C2C(=[N]1c1c(cc(cc1C(C)C)Cc1cc(c([N]3[Ni](Br)(Br)[N](=C4C=3c3cccc5cccc4c35)c3c(cccc3C(C)C)C(C)C)c(c1)C(C)C)C(C)C)C(C)C)c1cccc3cccc2c13)c1c(cccc1C(C)C)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: 20.688 ± 0.004 Å
• b: 19.271 ± 0.004 Å
• c: 21.75 ± 0.004 Å
• α: 90°
• β: 112.01 ± 0.03°
• γ: 90°
• Cell volume: 8039 ± 3 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 all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No