Information card for entry 1513894

Structure parameters

• Formula: C18 H18 Fe2 O4 Si2
• Calculated formula: C18 H18 Fe2 O4 Si2
• SMILES: [Fe]1234567([Fe]89%10%11(C4=O)([c]4%12[cH]8[c]9[cH]%10[c]%11%12[Si]([c]81[cH]2[cH]3[cH]5[c]68[Si]4(C)C)(C)C)(C7=O)C#[O])C#[O]
• 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: 14.927 ± 0.003 Å
• b: 9.3697 ± 0.0018 Å
• c: 15.002 ± 0.004 Å
• α: 90°
• β: 117.638 ± 0.002°
• γ: 90°
• Cell volume: 1858.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0256
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No