Information card for entry 4069529

Structure parameters

• Formula: C30 H26 Fe O
• Calculated formula: C30 H26 Fe O
• SMILES: [Fe]12345678([cH]9[cH]1[cH]3[cH]4[cH]29)[c]1([cH]8[c]7([cH]6[cH]51)c1ccc(cc1)C)C(O)(c1ccccc1)c1ccccc1
• Title of publication: Functionalized Ferrocenes from [3+2] Cycloadditions in Bridging Vinylalkylidene Diiron Complexes
• Authors of publication: Busetto, Luigi; Marchetti, Fabio; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3465
• a: 10.3008 ± 0.0009 Å
• b: 10.6616 ± 0.0009 Å
• c: 11.2231 ± 0.001 Å
• α: 89.393 ± 0.001°
• β: 73.716 ± 0.001°
• γ: 73.668 ± 0.001°
• Cell volume: 1132.25 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No