Information card for entry 7704032

Structure parameters

• Formula: C43 H39 Cl3 Gd2 N12 O19
• Calculated formula: C43 H39 Cl3 Gd2 N12 O19
• Title of publication: Single-crystal-to-single-crystal post-synthetic modifications of three-dimensional LOFs (Ln = Gd, Eu): a way to modulate their luminescence and thermometric properties.
• Authors of publication: De Bellis, Jacopo; Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell'Amico, Daniela; Armelao, Lidia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 6030 - 6042
• a: 12.226 ± 0.0005 Å
• b: 14.8722 ± 0.0006 Å
• c: 16.0462 ± 0.0006 Å
• α: 93.197 ± 0.001°
• β: 91.883 ± 0.001°
• γ: 113.851 ± 0.001°
• Cell volume: 2659.41 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No