Information card for entry 7007556

Structure parameters

• Formula: C30 H24 Cl2 Fe2 O6
• Calculated formula: C30 H24 Cl2 Fe2 O6
• SMILES: [Fe]123([Fe]4567(C#[O])(C#[O])[c]89[cH]4[cH]5[cH]6[c]78[CH]2=[CH]3[C@@H]([C@@]1(OCC)c1ccc(cc1)c1ccccc1)C9)(C#[O])(C#[O])C#[O].ClCCl.[Fe]123([Fe]4567(C#[O])(C#[O])[c]89[cH]4[cH]5[cH]6[c]78[CH]2=[CH]3[C@H]([C@]1(OCC)c1ccc(cc1)c1ccccc1)C9)(C#[O])(C#[O])C#[O].ClCCl
• Title of publication: Novel dimetal bridging carbene complexes derived from a terminal carbonyl dimetal compound. Syntheses, structures and reactivities of 7H-indene-coordinated diiron bridging carbene complexes.
• Authors of publication: Zhang, Lei; Sun, Jie; Zhu, Huping; Xu, Qiang; Tsumori, Nobuko; Chen, Jiabi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 36
• Pages of publication: 4348 - 4358
• a: 8.1399 ± 0.0007 Å
• b: 10.3465 ± 0.0009 Å
• c: 17.0935 ± 0.0015 Å
• α: 86.069 ± 0.002°
• β: 80.494 ± 0.002°
• γ: 89.464 ± 0.002°
• Cell volume: 1416.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No