Information card for entry 7032175

Structure parameters

• Formula: C18 H14 Cl2 Fe N4
• Calculated formula: C18 H14 Cl2 Fe N4
• SMILES: c1cccc2C=[N]3c4ccccc4[N]4[Fe]3(Cl)([n]12)(Cl)[n]1ccccc1C=4
• Title of publication: Anion-controlled formation of an aminal-(bis)imine Fe(ii)-complex.
• Authors of publication: Giri, Chandan; Topić, Filip; Mal, Prasenjit; Rissanen, Kari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15697 - 15699
• a: 10.2438 ± 0.0003 Å
• b: 19.3127 ± 0.0006 Å
• c: 8.8565 ± 0.0002 Å
• α: 90°
• β: 101.637 ± 0.003°
• γ: 90°
• Cell volume: 1716.11 ± 0.08 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No