Information card for entry 4112633

Structure parameters

• Chemical name: [Rb-(2,2,2-crypt)]2(Si5)*4(NH3)
• Formula: C36 H72 N8 O12 Rb2 Si5
• Calculated formula: C36 H72 N8 O12 Rb2 Si5
• SMILES: [Si]12[Si]34[Si]5[Si]13[Si]245.[Rb]1234567[N]%12%13CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC%12)CC[O]6CC[O]7CC%13.[Rb]1234567[N]%12%13CC[O]4CC[O]5CC[N]1(CC[O]7CC[O]6CC%12)CC[O]3CC[O]2CC%13.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: 11.1627 ± 0.0019 Å
• b: 11.863 ± 0.003 Å
• c: 12.101 ± 0.002 Å
• α: 119.333 ± 0.003°
• β: 100.859 ± 0.003°
• γ: 91.662 ± 0.004°
• Cell volume: 1358.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No