Information card for entry 7017040

Structure parameters

• Formula: C41 H34 Cl4 Fe2 N2 O4 P2 S2
• Calculated formula: C41 H34 Cl4 Fe2 N2 O4 P2 S2
• SMILES: [Fe]123([Fe]4([S]1Cc1nc5ccccc5nc1C[S]24)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and characterization of diiron dithiolate complexes containing a quinoxaline bridge.
• Authors of publication: Xu, Fenfen; Du, Shaowu; Liu, Yuping; Hassan, Jacqueline; Zhang, Jie; Bond, Alan M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10907 - 10917
• a: 10.518 ± 0.006 Å
• b: 11.149 ± 0.006 Å
• c: 18.267 ± 0.011 Å
• α: 86.244 ± 0.012°
• β: 88.721 ± 0.011°
• γ: 87.302 ± 0.013°
• Cell volume: 2135 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No