Information card for entry 4308533

Structure parameters

• Formula: C83 H57 Er3 N10 O9
• Calculated formula: C81 H54 Er3 N9 O9
• SMILES: c1ccc2cccc3c2[n]1[Er]12456([n]7cccc8cccc(c78)[O]4[Er]478([n]9cccc%10cccc(c9%10)O8)([O]5c5cccc8ccc[n]1c58)([O]6c1cccc5ccc[n]2c15)[O]1c2cccc5ccc[n](c25)[Er]2561([n]1cccc8cccc(c18)[O]42)([n]1cccc2cccc(c12)[O]75)[n]1cccc2cccc(c12)O6)O3
• Title of publication: Structure and Emission Properties of Er3Q9 (Q = 8-Quinolinolate)
• Authors of publication: Flavia Artizzu; Paola Deplano; Luciano Marchiò; Maria Laura Mercuri; Luca Pilia; Angela Serpe; Francesco Quochi; Riccardo Orrù; Fabrizio Cordella; Francesco Meinardi; Riccardo Tubino; Andrea Mura; Giovanni Bongiovanni
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 840 - 842
• a: 12.352 ± 0.001 Å
• b: 16.775 ± 0.001 Å
• c: 18.199 ± 0.001 Å
• α: 83.488 ± 0.001°
• β: 79.302 ± 0.001°
• γ: 83.831 ± 0.001°
• Cell volume: 3667 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No