Information card for entry 7033654

Structure parameters

• Formula: C29 H29 Fe2 N2 O4 P S
• Calculated formula: C29 H29 Fe2 N2 O4 P S
• SMILES: c12ccccc1[C]13=[C]45C(C=[N](CCN(C)C)[Fe]64(C#[O])(C#[O])[Fe]35(C#[O])(C#[O])([P](C)(C)c3ccccc3)[S]26)=CC=C1
• Title of publication: Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.
• Authors of publication: Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4155 - 4166
• a: 10.059 ± 0.003 Å
• b: 10.151 ± 0.003 Å
• c: 14.423 ± 0.005 Å
• α: 90°
• β: 105.43 ± 0.004°
• γ: 90°
• Cell volume: 1419.6 ± 0.8 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No