Information card for entry 1513892

Structure parameters

• Formula: C19 H18 Fe2 I2 O4 Si
• Calculated formula: C19 H18 Fe2 I2 O4 Si
• SMILES: I[Fe]1234(C#[O])(C#[O])[c]56[c]1([cH]2[cH]3[cH]46)C([c]12[c]3([Fe]461(I)(C#[O])(C#[O])[cH]2[cH]4[cH]36)[Si]5(C)C)(C)C
• Title of publication: Structures and reactivity of doubly-bridged dicyclopentadienyl dinuclear iron complexes
• Authors of publication: Zhu, Bo-Lin; Hao, Xiao-Ting; Shi, Wei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Journal volume: 414
• Pages of publication: 21 - 26
• a: 8.693 ± 0.003 Å
• b: 9.234 ± 0.003 Å
• c: 16.569 ± 0.006 Å
• α: 90.565 ± 0.006°
• β: 104.378 ± 0.007°
• γ: 112.942 ± 0.006°
• Cell volume: 1177.9 ± 0.7 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: 0.1075
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No