Information card for entry 7048587

Structure parameters

• Formula: C18 H26 Cl2 Fe N4 O2
• Calculated formula: C18 H26 Cl2 Fe N4 O2
• 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: 10.0933 ± 0.0006 Å
• b: 11.4226 ± 0.0007 Å
• c: 17.1223 ± 0.001 Å
• α: 90°
• β: 95.803 ± 0.002°
• γ: 90°
• Cell volume: 1963.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0231
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No