Information card for entry 7019863

Structure parameters

• Formula: C36 H47 Cl2 Fe Li N2 O2
• Calculated formula: C36 H47 Cl2 Fe Li N2 O2
• SMILES: c12c3cccc2C=[N](c2c(cccc2CC)CC)[Fe]12([N](=C3)c1c(cccc1CC)CC)[Cl][Li]([O]1CCCC1)([O]1CCCC1)[Cl]2
• 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: 10.4769 ± 0.0019 Å
• b: 17.05 ± 0.003 Å
• c: 20.291 ± 0.004 Å
• α: 90°
• β: 98.088 ± 0.003°
• γ: 90°
• Cell volume: 3588.6 ± 1.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No