Information card for entry 4076263

Structure parameters

• Formula: C28 H38 Cr4 N0 O5 Se4
• Calculated formula: C28 H32 Cr4 O5 Se4
• SMILES: O.[Se]12[Cr]34567([cH]8[cH]3[cH]4[cH]5[c]68[C@H](C)O)[Se]3[Cr]45681([cH]1[cH]8[cH]4[cH]5[c]61[C@@H](C)O)[Se]1[Cr]45683([cH]3[cH]6[cH]8[cH]4[c]53[C@H](C)O)[Se]7[Cr]345621[cH]1[cH]6[cH]3[cH]4[c]51[C@@H](C)O
• 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: 11.068 ± 0.003 Å
• b: 11.068 ± 0.003 Å
• c: 12.901 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No