Information card for entry 7708716

Structure parameters

• Formula: C12 H24 Fe I2 O6
• Calculated formula: C12 H24 Fe I2 O6
• SMILES: I[Fe]1234(I)[O]5CC[O]4CC[O]3CC[O]2CCOCC[O]1CC5
• Title of publication: Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles
• Authors of publication: Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.8282 ± 0.0011 Å
• b: 12.0337 ± 0.0013 Å
• c: 28.367 ± 0.003 Å
• α: 90°
• β: 94.621 ± 0.008°
• γ: 90°
• Cell volume: 3684.3 ± 0.7 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No