Information card for entry 4112437

Structure parameters

• Chemical name: Bis[bis(tetrahydrofuran)potassium(I)] tetrakis(di-tert-butylmethylsilyl)- tetrasilacyclobutadiene dianion
• Formula: C52 H116 K2 O4 Si8
• Calculated formula: C52 H116 K2 O4 Si8
• SMILES: [K]123([Si]45([K]67([Si]14([Si]26([Si]357[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)[Si](C)(C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Cyclobutadiene Dianions Consisting of Heavier Group 14 Elements: Synthesis and Characterization
• Authors of publication: Vladimir Ya. Lee; Kazunori Takanashi; Tadahiro Matsuno; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4758 - 4759
• a: 13.083 ± 0.0007 Å
• b: 13.318 ± 0.0004 Å
• c: 22.207 ± 0.001 Å
• α: 89.659 ± 0.003°
• β: 88.87 ± 0.002°
• γ: 61.283 ± 0.003°
• Cell volume: 3392.7 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.0607
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No