Information card for entry 7019860

Structure parameters

• Formula: C30.11 H28 Br Cl0.17 N2 Ni P0.33
• Calculated formula: C30.0833 H28 Br Cl0.17 N2 Ni P0.333333
• 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: 26.515 ± 0.007 Å
• b: 26.515 ± 0.007 Å
• c: 20.941 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12750 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.196
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No