Information card for entry 1513893

Structure parameters

• Formula: C26 H26 Cl2 Fe2 O3 Si2
• Calculated formula: C26 H26 Cl2 Fe2 O3 Si2
• SMILES: [Fe]1234567([Fe]89%10%11([c]%12%13[cH]%11[cH]%10[cH]9[c]8%13[Si]([c]81[cH]5[cH]4[cH]3[c]28[Si]%12(C)C)(C)C)(C6=O)(C#[O])C\7=C\c1ccccc1)C#[O].ClCCl
• 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: 19.536 ± 0.006 Å
• b: 9.562 ± 0.003 Å
• c: 14.828 ± 0.005 Å
• α: 90°
• β: 91.853 ± 0.006°
• γ: 90°
• Cell volume: 2768.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No