Information card for entry 7006441

Structure parameters

• Formula: C22 H14 Fe2 N2 O7
• Calculated formula: C22 H14 Fe2 N2 O7
• SMILES: [Fe]12([Fe]3([N]41[N]3(C2=O)Cc1ccccc1C4c1ccc(cc1)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Unusual reactions of [{micro-(phthalazine-N2:N3)}Fe2(micro-CO)(CO)6] with organolithium reagents. A novel coordination mode of 1,2-diazane diiron carbonyl compounds.
• Authors of publication: Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 4
• Pages of publication: 603 - 608
• a: 13.786 ± 0.003 Å
• b: 9.7314 ± 0.0018 Å
• c: 17.518 ± 0.003 Å
• α: 90°
• β: 109.79 ± 0.004°
• γ: 90°
• Cell volume: 2211.4 ± 0.7 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: 0.1028
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No