Information card for entry 7008616

Structure parameters

• Formula: C15 H8 Fe2 O7 S
• Calculated formula: C15 H8 Fe2 O7 S
• SMILES: [Fe]1([Fe]2([S](C12c1ccccc1)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, structure and reactivity of novel pyridazine-coordinated diiron bridging carbene complexes.
• Authors of publication: Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3250 - 3258
• a: 9.0841 ± 0.001 Å
• b: 10.5849 ± 0.0011 Å
• c: 18.381 ± 0.0019 Å
• α: 90°
• β: 100.27 ± 0.002°
• γ: 90°
• Cell volume: 1739.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No