Information card for entry 4076261

Structure parameters

• Formula: C28 H28 Cr4 O8 Se4
• Calculated formula: C28 H28 Cr4 O8 Se4
• SMILES: [Cr]123456([Se]7[Cr]89%10%11%12([Se]1[Cr]1%13%14%15%16([Se]8[Cr]78%17%18%19([Se]12)[cH]1[cH]8[cH]%17[cH]%18[c]%191C(=O)OC)[cH]1[cH]%13[cH]%14[cH]%15[c]%161C(=O)OC)[cH]1[cH]9[cH]%10[cH]%11[c]%121C(=O)OC)[cH]1[cH]3[cH]4[cH]5[c]61C(=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: 10.036 ± 0.003 Å
• b: 10.779 ± 0.003 Å
• c: 16.581 ± 0.005 Å
• α: 73.849 ± 0.005°
• β: 77.721 ± 0.005°
• γ: 65.926 ± 0.004°
• Cell volume: 1563 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No