Information card for entry 7058526

Structure parameters

• Chemical name: 'C30 H20 O Se, C2 H2 Cl6'
• Formula: C32 H22 Cl6 O Se
• Calculated formula: C32 H22 Cl6 O Se
• Title of publication: A reversible and turn-on type fluorescence behaviour of hydrogen sulfide via a redox cycle between selenoxide and selenide
• Authors of publication: Annaka, Tatsuro; Nakata, Norio; Ishii, Akihiko
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11643
• a: 10.3946 ± 0.0006 Å
• b: 11.3394 ± 0.0007 Å
• c: 12.8696 ± 0.0008 Å
• α: 90.704 ± 0.001°
• β: 98.331 ± 0.002°
• γ: 92.822 ± 0.001°
• Cell volume: 1498.8 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No