Information card for entry 4302535

Structure parameters

• Formula: C41 H28 Gd N7 O11
• Calculated formula: C41 H28 Gd N7 O11
• Title of publication: Benzothiazole- and Benzoxazole-Substituted Pyridine-2-Carboxylates as Efficient Sensitizers of Europium Luminescence
• Authors of publication: Jean-Claude G. Bünzli; Nail M. Shavaleev; Rosario Scopelliti; Frédéric Gumy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6178 - 6191
• a: 12.0406 ± 0.0018 Å
• b: 14.148 ± 0.002 Å
• c: 14.241 ± 0.002 Å
• α: 60.644 ± 0.015°
• β: 66.243 ± 0.014°
• γ: 89.518 ± 0.012°
• Cell volume: 1880.1 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1725
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No