Information card for entry 7017039

Structure parameters

• Formula: C40 H32 Cl2 Fe2 N2 O4 P2 S2
• Calculated formula: C40 H32 Cl2 Fe2 N2 O4 P2 S2
• SMILES: [Fe]123([Fe]4([S]1Cc1nc5ccccc5nc1C[S]24)(C#[O])(C#[O])C#[O])([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].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: 10.199 ± 0.007 Å
• b: 13.712 ± 0.009 Å
• c: 14.582 ± 0.009 Å
• α: 92.981 ± 0.008°
• β: 91.827 ± 0.007°
• γ: 100.728 ± 0.013°
• Cell volume: 1999 ± 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: 0.05
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No