Information card for entry 2239377

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^<i>N</i>,<i>N</i>']dibromidonickel(II)
• Formula: C36 H40 Br2 N2 Ni
• Calculated formula: C36 H40 Br2 N2 Ni
• SMILES: c1(c(cc(cc1CC)c1ccccc1)CC)[N]1[Ni](Br)(Br)[N](c2c(cc(cc2CC)c2ccccc2)CC)=C(C=1C)C
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ^2^<i>N</i>,<i>N</i>']dibromidonickel(II)
• Authors of publication: Yuan, Jianchao; Xia, Jingjing; Xu, Weibing; Mu, Yanqiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m102
• a: 15.6587 ± 0.0005 Å
• b: 6.9359 ± 0.0003 Å
• c: 30.1928 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3279.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes