Information card for entry 7048586

Structure parameters

• Formula: C16 H22 Cl2 Fe N4
• Calculated formula: C16 H22 Cl2 Fe N4
• Title of publication: O-H and (CO)N-H bond weakening by coordination to Fe(ii).
• Authors of publication: Resa, Sandra; Millán, Alba; Fuentes, Noelia; Crovetto, Luis; Luisa Marcos, M.; Lezama, Luis; Choquesillo-Lazarte, Duane; Blanco, Victor; Campaña, Araceli G; Cárdenas, Diego J; Cuerva, Juan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2179 - 2189
• a: 14.1995 ± 0.0007 Å
• b: 8.0887 ± 0.0005 Å
• c: 15.09 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1733.17 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No