Information card for entry 7044219

Structure parameters

• Formula: C44 H46 B4 N24 O4 Y2
• Calculated formula: C44 H46 B4 N24 O4 Y2
• SMILES: [Y]12345(Oc6c(O1)c(c1O[Y]789%10(Oc1c6C)([n]1n(ccc1)[BH](n1[n]7ccc1)n1[n]8ccc1)[n]1n(ccc1)[BH](n1[n]9ccc1)n1[n]%10ccc1)C)([n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1)[n]1n(ccc1)[BH](n1[n]4ccc1)n1[n]5ccc1
• Title of publication: Slow magnetisation relaxation in tetraoxolene-bridged rare-earth complexes
• Authors of publication: Dunstan, Maja; Rousset, Elodie; Boulon, Marie-Emmanuelle; Gable, Robert William; Sorace, Lorenzo; Boskovic, Colette
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 49.226 ± 0.007 Å
• b: 49.226 ± 0.007 Å
• c: 13.22 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27743 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No