Information card for entry 7047040

Structure parameters

• Formula: C30 H26 Au B Cl4 F2 N3 P
• Calculated formula: C29.9995 H25.999 Au B Cl3.999 F2 N3 P
• 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: 13.9927 ± 0.0004 Å
• b: 29.9994 ± 0.0008 Å
• c: 15.2788 ± 0.0005 Å
• α: 90°
• β: 95.5 ± 0.002°
• γ: 90°
• Cell volume: 6384.1 ± 0.3 ų
• Cell temperature: 115 ± 1 K
• Ambient diffraction temperature: 115 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No