Information card for entry 7036801

Structure parameters

• Formula: C22 H34 Fe N2 O3 Si2
• Calculated formula: C22 H34 Fe N2 O3 Si2
• SMILES: C([Fe]1234(C#[O])([C]5(=O)[C]1(=[C]12[C]3(=[C]45[Si](C)(C)C)CCCC1)[Si](C)(C)C)=C1N(C=CN1C)C)#[O]
• Title of publication: Straightforward synthesis of iron cyclopentadienone N-heterocyclic carbene complexes.
• Authors of publication: Cingolani, Andrea; Cesari, Cristiana; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria Cristina; Mazzoni, Rita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19063 - 19067
• a: 8.3374 ± 0.0002 Å
• b: 10.1477 ± 0.0003 Å
• c: 15.9325 ± 0.0004 Å
• α: 75.869 ± 0.002°
• β: 77.444 ± 0.002°
• γ: 76.216 ± 0.002°
• Cell volume: 1251.27 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No