Information card for entry 4085043

Structure parameters

• Formula: C88 H76 Br4 N4 Ni2 O4
• Calculated formula: C88 H76 Br4 N4 Ni2 O4
• SMILES: [Br]1[Ni]2([N](=C3C(c4c5c(ccc4)cccc35)=[N]2c2c(cc(cc2C)C)C)c2c(C(c3ccccc3)c3ccccc3)ccc3ccccc23)([OH2])([OH2])[Br][Ni]21([N](=C1C(c3c4c(ccc3)cccc14)=[N]2c1c(cc(cc1C)C)C)c1c(ccc2ccccc12)C(c1ccccc1)c1ccccc1)([OH2])[OH2].[Br-].[Br-]
• Title of publication: Tailoring Polyethylenes by Nickel Complexes Bearing Modified 1-(2-Benzhydrylnaphthylimino)-2-phenyliminoacenaphthylene Derivatives
• Authors of publication: Wen, Chunyan; Yuan, Shifang; Shi, Qisong; Yue, Erlin; Liu, Diansheng; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7223
• a: 10.922 ± 0.002 Å
• b: 13.776 ± 0.003 Å
• c: 16.11 ± 0.003 Å
• α: 66.65 ± 0.03°
• β: 73.31 ± 0.03°
• γ: 81.27 ± 0.03°
• Cell volume: 2129.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No