Information card for entry 7008618

Structure parameters

• Formula: C23 H9 Cr Fe2 N3 O11
• Calculated formula: C23 H9 Cr Fe2 N3 O11
• SMILES: [Cr](C#[N]C1([Fe]2([Fe]1([n]1[n]2cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])c1ccccc1)(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: 17.4281 ± 0.0013 Å
• b: 11.1112 ± 0.0008 Å
• c: 13.4739 ± 0.001 Å
• α: 90°
• β: 92.657 ± 0.001°
• γ: 90°
• Cell volume: 2606.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No