Information card for entry 4114305

Structure parameters

• Chemical name: (18-crown-6)potassium tris{bis[bis(trimethylsilyl)methyl](methyl)silyl} tetrasilatetrahedranide
• Formula: C59.5 H153 K O6 Si19
• Calculated formula: C59.5 H153 K O6 Si19
• SMILES: [K]12345[O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6.[Si]12[Si]3([Si]1([Si]23[Si](C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.CCCCC
• Title of publication: Tetrasilatetrahedranide: A Silicon Cage Anion
• Authors of publication: Masaaki Ichinohe; Masafumi Toyoshima; Rei Kinjo; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13328 - 13329
• a: 46.377 ± 0.0018 Å
• b: 16.843 ± 0.0003 Å
• c: 28.779 ± 0.0011 Å
• α: 90°
• β: 121.573 ± 0.002°
• γ: 90°
• Cell volume: 19152.4 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1146
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No