Information card for entry 7036798

Structure parameters

• Formula: C48 H54 Fe N2 O6
• Calculated formula: C48 H54 Fe N2 O6
• 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: 9.4831 ± 0.0007 Å
• b: 23.5286 ± 0.0019 Å
• c: 19.299 ± 0.0016 Å
• α: 90°
• β: 103.518 ± 0.004°
• γ: 90°
• Cell volume: 4186.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.187
• 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: Yes
• Has Fobs: No