Information card for entry 7004511

Structure parameters

• Formula: C19 H20 Cl2 Fe N4
• Calculated formula: C19 H20 Cl2 Fe N4
• Title of publication: The preparation and full characterization of dichloroferrous complexes of mono-, bis- and tris-α-methyl substituted tris(2-pyridylmethyl)amine (TPA) ligands. Structural bases of stability of the complexes in solution
• Authors of publication: Benhamou, Laila; Lachkar, Mohammed; Mandon, Dominique; Welter, Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6996 - 7003
• a: 8.794 ± 0.0003 Å
• b: 27.979 ± 0.003 Å
• c: 8.875 ± 0.0003 Å
• α: 90°
• β: 119.29 ± 0.05°
• γ: 90°
• Cell volume: 1904.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No