Information card for entry 7019859

Structure parameters

• Formula: C29 H33 Br Cl2 N2 Ni
• Calculated formula: C29 H33 Br Cl2 N2 Ni
• 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: 13.6503 ± 0.0011 Å
• b: 13.6503 ± 0.0011 Å
• c: 16.0642 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2993.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No