Information card for entry 7020435

Structure parameters

• Formula: C20 H19 F8 Fe N4 O8 S2
• Calculated formula: C20 H19 F8 Fe N4 O8 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: 9.1936 ± 0.0004 Å
• b: 28.5638 ± 0.0008 Å
• c: 11.2226 ± 0.0005 Å
• α: 90°
• β: 108.627 ± 0.002°
• γ: 90°
• Cell volume: 2792.73 ± 0.19 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: 0.1606
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No