Information card for entry 1556615

Structure parameters

• Formula: C65.5 H136 Si16
• Calculated formula: C65.5 H136 Si16
• SMILES: C1(CCC([Si]21[Si]1(C(C)(C)C)[Si]34[Si]5([Si]6([Si]3([Si]5([Si]214)C(C)(C)C)C(C)(C)C)C([Si](C)(C)C)([Si](C)(C)C)CCC6([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(C)ccccc1
• Title of publication: Transformative Si8R8 Siliconoids
• Authors of publication: Akasaka, N.; Ishida, S.; Iwamoto, T.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 107
• a: 11.5327 ± 0.0018 Å
• b: 17.883 ± 0.003 Å
• c: 21.56 ± 0.003 Å
• α: 69.416 ± 0.002°
• β: 85.458 ± 0.002°
• γ: 76.379 ± 0.002°
• Cell volume: 4045.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No