Information card for entry 4339352

Structure parameters

• Formula: C25 H17 B N2 S4
• Calculated formula: C25 H17 B N2 S4
• Title of publication: Cu2+ colorimetric sensing and fluorescence enhancement and Hg2+ fluorescence diminution in "scorpionate"-like tetrathienyl-substituted boron-dipyrrins.
• Authors of publication: Choi, Shin Hei; Pang, Keliang; Kim, Kibong; Churchill, David G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10564 - 10577
• a: 8.388 ± 0.002 Å
• b: 9.059 ± 0.002 Å
• c: 29.546 ± 0.008 Å
• α: 90°
• β: 93.666 ± 0.004°
• γ: 90°
• Cell volume: 2240.5 ± 0.9 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.1773
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No