Information card for entry 4076264

Structure parameters

• Formula: C18 H14 Cr2 O8 Se
• Calculated formula: C18 H14 Cr2 O8 Se
• SMILES: C(#[O])[Cr]1234(C#[O])([c]5([cH]1[cH]3[cH]4[cH]25)C(=O)OC)[Se][Cr]1234(C#[O])(C#[O])[c]5([cH]1[cH]2[cH]3[cH]45)C(=O)OC
• Title of publication: A Basic Strategy for Functionalization of Metal Cyclopentadienyl Complexes: Synthesis, Characterization, and Reactivity of Linear, Butterfly, and Cubic Chromium/Selenium Complexes Containing Functionally Substituted Cyclopentadienyl Ligands
• Authors of publication: Song, Li-Cheng; Cheng, Hua-Wei; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1072
• a: 10.787 ± 0.006 Å
• b: 8.057 ± 0.005 Å
• c: 23.448 ± 0.014 Å
• α: 90°
• β: 96.548 ± 0.011°
• γ: 90°
• Cell volume: 2025 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1007
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No