Information card for entry 4076262

Structure parameters

• Formula: C26 H26 Cr4 O6 Se4
• Calculated formula: C26 H26 Cr4 O6 Se4
• SMILES: [Se]12[Cr]34567([Se]8[Cr]9%10%11%121([Se]1[Cr]%13%14%15%168([Se]3[Cr]38%17%1821[cH]1[cH]%17[cH]%18[cH]8[cH]31)[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]6[cH]7[cH]4[c]51C(=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: 9.777 ± 0.005 Å
• b: 10.028 ± 0.006 Å
• c: 16.758 ± 0.01 Å
• α: 93.26 ± 0.009°
• β: 96.725 ± 0.009°
• γ: 111.474 ± 0.009°
• Cell volume: 1509.6 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No