Information card for entry 7007553

Structure parameters

• Formula: C27 H20 Fe2 O4 S
• Calculated formula: C27 H20 Fe2 O4 S
• SMILES: [Fe]1234([Fe]5678(C#[O])(C#[O])(C1(Sc1ccc(C)cc1)c1ccccc1)[c]19[c]5([cH]8[cH]7[cH]61)[CH]3=[CH]4C2C9)(C#[O])C#[O]
• 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: 9.1797 ± 0.001 Å
• b: 9.5684 ± 0.001 Å
• c: 14.1755 ± 0.0015 Å
• α: 86.611 ± 0.002°
• β: 80.66 ± 0.002°
• γ: 75.326 ± 0.002°
• Cell volume: 1188.3 ± 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: 0.1035
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No