Information card for entry 1556616

Structure parameters

• Formula: C48 H116 Si16
• Calculated formula: C48 H116 Si16
• SMILES: C1(CCC([Si]1=[Si]1[Si]2(C(C)(C)C)[Si]3(C(C)(C)C)[Si]1(C(C)(C)C)[Si]2(C(C)(C)C)[Si]3=[Si]1C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• 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: 21.538 ± 0.002 Å
• b: 17.9167 ± 0.0019 Å
• c: 20.793 ± 0.003 Å
• α: 90°
• β: 118.875 ± 0.001°
• γ: 90°
• Cell volume: 7026.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No