Information card for entry 7105427

Structure parameters

• Formula: C12 H10 Fe I2 O2
• Calculated formula: C12 H10 Fe I2 O2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[c]3(I)[c]49C(=O)OC)I)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Deprotonative metallation of ferrocenes using mixed lithium-zinc and lithium-cadmium combinations.
• Authors of publication: Dayaker, Gandrath; Sreeshailam, Aare; Chevallier, Floris; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2862 - 2864
• a: 14.781 ± 0.002 Å
• b: 8.0884 ± 0.0014 Å
• c: 22.871 ± 0.004 Å
• α: 90°
• β: 101.82 ± 0.005°
• γ: 90°
• Cell volume: 2676.4 ± 0.8 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: 0.059
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No