Information card for entry 7123671

Structure parameters

• Formula: C54 H52 Cl2 Se Si4
• Calculated formula: C54 H52 Cl2 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: 17.4721 ± 0.0005 Å
• b: 13.408 ± 0.0005 Å
• c: 21.0645 ± 0.0007 Å
• α: 90°
• β: 104.877 ± 0.001°
• γ: 90°
• Cell volume: 4769.3 ± 0.3 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: 0.047
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No