Information card for entry 4112631

Structure parameters

• Chemical name: [K-(2,2,2-crypt)]3(Si9)*8(NH3)
• Formula: C54 H108 K3 N15 O18 Si9
• Calculated formula: C54 H108 K3 N15 O18 Si9
• SMILES: [Si]123[Si]456[Si]71[Si]186[Si]69%10[Si]24([Si]36[Si]78%10)[Si]519.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]4CC[O]5CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.N.N.N.N.N.N.N.N.N
• Title of publication: Naked Deltahedral Silicon Clusters in Solution: Synthesis and Characterization of Si93- and Si52-
• Authors of publication: Jose M. Goicoechea; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6860 - 6861
• a: 14.077 ± 0.004 Å
• b: 15.061 ± 0.004 Å
• c: 22.746 ± 0.006 Å
• α: 80.518 ± 0.004°
• β: 84.853 ± 0.004°
• γ: 66.374 ± 0.004°
• Cell volume: 4356 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No