Information card for entry 7020438

Structure parameters

• Formula: C20 H16 F7 Fe N4 O6 S2
• Calculated formula: C20 H16 F7 Fe N4 O6 S2
• Title of publication: Structural bases of oxygen-sensitivity in Fe(ii) complexes with tripodal ligands. Steric effects, Lewis acidity and the role of ancillary ligands.
• Authors of publication: Benhamou, Laila; Thibon, Aurore; Brelot, Lydia; Lachkar, Mohammed; Mandon, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 47
• Pages of publication: 14369 - 14380
• a: 17.7194 ± 0.0006 Å
• b: 9.6968 ± 0.0004 Å
• c: 15.9971 ± 0.0006 Å
• α: 90°
• β: 113.458 ± 0.002°
• γ: 90°
• Cell volume: 2521.48 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No