Information card for entry 7037920

Structure parameters

• Formula: C48 H27 Eu N27 O3
• Calculated formula: C48 H27 Eu N27 O3
• SMILES: c12c3cc(cc4c5n(nnn5)[Eu]5678(n1nnn2)([n]34)(n1c(c2cc(cc(c3n7nnn3)[n]52)C#Cc2ccc(OC)cc2)nnn1)n1c(c2cc(cc(c3n8nnn3)[n]62)C#Cc2ccc(OC)cc2)nnn1)C#Cc1ccc(OC)cc1
• Title of publication: Versatile pyridine-2,6-bis-tetrazolate scaffolds for the formation of highly luminescent lanthanide complexes.
• Authors of publication: Di Pietro, Sebastiano; Gautier, Nicholas; Imbert, Daniel; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3429 - 3442
• a: 32.8261 ± 0.0003 Å
• b: 32.8261 ± 0.0003 Å
• c: 32.8261 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35371.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No