Information card for entry 4325359

Structure parameters

• Formula: C30 H25 B S3 n2
• Calculated formula: C30 H24.666 B N2 S3
• Title of publication: Control of On-Off or Off-On Fluorescent and Optical [Cu2+] and [Hg2+] Responses via Formal Me/H Substitution in Fully Characterized Thienyl "Scorpionate"-like BODIPY Systems
• Authors of publication: Kibong Kim; Shin Hei Choi; June Jeon; Hyosun Lee; Jung Oh Huh; Jaeduk Yoo; Jong Taek Kim; Chang-Hee Lee; Yoon Sup Lee; David G. Churchill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5351 - 5360
• a: 17.2235 ± 0.0018 Å
• b: 21.909 ± 0.002 Å
• c: 16.217 ± 0.003 Å
• α: 90°
• β: 115.963 ± 0.003°
• γ: 90°
• Cell volume: 5501.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No