Information card for entry 7239105

Structure parameters

• Formula: C39 H32 N P2 S2
• Calculated formula: C39 H26 N P2 S2
• Title of publication: A highly selective off‒on fluorescent chemodosimeter for Hg2+ based on a anthracene‒bis(phosphinesulfide) conjugate
• Authors of publication: Garau, Alessandra; Caboni, Pierluigi; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 30
• Pages of publication: 12149
• a: 8.934 ± 0.0018 Å
• b: 9.905 ± 0.002 Å
• c: 19.041 ± 0.004 Å
• α: 90.35 ± 0.03°
• β: 102.43 ± 0.03°
• γ: 100.88 ± 0.03°
• Cell volume: 1614 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No