Information card for entry 7047037

Structure parameters

• Formula: C17 H11 B Cl2 F2 N2 O2
• Calculated formula: C17 H11 B Cl2 F2 N2 O2
• Title of publication: Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics.
• Authors of publication: Pliquett, Jacques; Amor, Souheila; Ponce-Vargas, Miguel; Laly, Myriam; Racoeur, Cindy; Rousselin, Yoann; Denat, Franck; Bettaïeb, Ali; Fleurat-Lessard, Paul; Paul, Catherine; Goze, Christine; Bodio, Ewen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 11203 - 11218
• a: 7.8312 ± 0.0003 Å
• b: 10.3013 ± 0.0005 Å
• c: 10.4618 ± 0.0004 Å
• α: 96.577 ± 0.002°
• β: 101.739 ± 0.002°
• γ: 97.026 ± 0.002°
• Cell volume: 811.63 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No