Information card for entry 7123674

Structure parameters

• Formula: C54 H53 Cl Se Si4
• Calculated formula: C54 H53 Cl Se Si4
• Title of publication: A Stable Bis(methylene)-λ4-selane with a >C=Se=C< bond containing Se(IV)
• Authors of publication: Sugamata, Koh; Urao, Yukiko; Minoura, Mao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.3177 ± 0.0013 Å
• b: 13.0257 ± 0.0008 Å
• c: 21.8104 ± 0.0015 Å
• α: 90°
• β: 105.764 ± 0.008°
• γ: 90°
• Cell volume: 4734.8 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No