Information card for entry 7019861

Structure parameters

• Formula: C33 H41 Br Cl2 N2 Ni
• Calculated formula: C33 H41 Br Cl2 N2 Ni
• SMILES: [Ni]12(c3c(C=[N]1c1c(C(C)C)cccc1C(C)C)cccc3C=[N]2c1c(cccc1C(C)C)C(C)C)Br.ClCCl
• Title of publication: Ni(ii) and Fe(ii) complexes based on bis(imino)aryl pincer ligands: synthesis, structural characterization and catalytic activities.
• Authors of publication: Zhang, Jingshun; Gao, Wei; Lang, Xiaomei; Wu, Qiaolin; Zhang, Lei; Mu, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9639 - 9645
• a: 11.756 ± 0.005 Å
• b: 21.816 ± 0.011 Å
• c: 12.863 ± 0.007 Å
• α: 90°
• β: 93.458 ± 0.019°
• γ: 90°
• Cell volume: 3293 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No