Information card for entry 7008615

Structure parameters

• Formula: C18 H12 Cl2 Fe2 N2 O6
• Calculated formula: C18 H12 Cl2 Fe2 N2 O6
• SMILES: [Fe]12([Fe]([n]3[n]1cccc3)(C2c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl
• 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: 13.213 ± 0.003 Å
• b: 10.709 ± 0.002 Å
• c: 15.898 ± 0.003 Å
• α: 90°
• β: 108.427 ± 0.004°
• γ: 90°
• Cell volume: 2134.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No