Information card for entry 7044582

Structure parameters

• Formula: C38 H34 N6 O4 Pd2 S2
• Calculated formula: C38 H34 N6 O4 Pd2 S2
• Title of publication: Exploration of an Easily Synthesized Fluorescent Probe for Detecting Copper in Aqueous Samples
• Authors of publication: Sanmartin Matalobos, Jesus; Garcia-Deibe, Ana M.; Fondo, Matilde; Zarepour-Jevinani, Morteza; Domínguez-González, M. R.; Bermejo-Barrera, Pilar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.8836 ± 0.0007 Å
• b: 15.6534 ± 0.0009 Å
• c: 17.2288 ± 0.0009 Å
• α: 90°
• β: 90.186 ± 0.003°
• γ: 90°
• Cell volume: 3474.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No