Information card for entry 7033655

Structure parameters

• Formula: C38 H33 Fe2 N O3 P2 S
• Calculated formula: C38 H33 Fe2 N O3 P2 S
• SMILES: c12ccccc1[C]13=[C]45C(C=[N]6CC[P](c7ccccc7)(c7ccccc7)[Fe]746(C#[O])[Fe]35(C#[O])(C#[O])([P](C)(C)c3ccccc3)[S]27)=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: 10.108 ± 0.001 Å
• b: 13.3094 ± 0.0012 Å
• c: 13.6439 ± 0.0012 Å
• α: 95.5531 ± 0.0015°
• β: 100.27 ± 0.0019°
• γ: 107.147 ± 0.002°
• Cell volume: 1703.9 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No