Information card for entry 7017044

Structure parameters

• Formula: C24 H26 Cl0 Fe2 N4 O4 S2
• Calculated formula: C24 H26 Fe2 N4 O4 S2
• SMILES: [Fe]12([Fe]3([S]1Cc1nc4ccccc4nc1C[S]23)(C#[O])(C#[O])C#[N]C(C)(C)C)(C#[O])(C#[O])C#[N]C(C)(C)C
• 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: 10.39 ± 0.003 Å
• b: 11.082 ± 0.003 Å
• c: 13.014 ± 0.004 Å
• α: 85.726 ± 0.008°
• β: 86.282 ± 0.007°
• γ: 68.586 ± 0.006°
• Cell volume: 1390 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0664
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No