Information card for entry 4069528

Structure parameters

• Formula: C28 H33 Fe N O Si
• Calculated formula: C28 H33 Fe N O Si
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]5([c]6([cH]7[c]81[Si](C)(C)C)N(C)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: 12.1178 ± 0.0007 Å
• b: 10.9715 ± 0.0007 Å
• c: 19.5293 ± 0.0012 Å
• α: 90°
• β: 103.586 ± 0.001°
• γ: 90°
• Cell volume: 2523.8 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No