Information card for entry 7705641

Structure parameters

• Formula: C66 H76 Dy0.09 N O7 Y0.91
• Calculated formula: C66 H76 Dy0.091 N O7 Y0.909
• Title of publication: Seven-coordinate Ln^III complexes assembled from a bulky ^<i>Mes</i>acacH ligand: their synthesis, structure, photoluminescence and SMM behaviour.
• Authors of publication: Kalita, Pankaj; Nayak, Prakash; Ahmed, Naushad; Herrera, Juan Manuel; Venkatasubbaiah, Krishnan; Colacio, Enrique; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15404 - 15416
• a: 12.5954 ± 0.0004 Å
• b: 23.3723 ± 0.0007 Å
• c: 20.4784 ± 0.0006 Å
• α: 90°
• β: 99.867 ± 0.003°
• γ: 90°
• Cell volume: 5939.3 ± 0.3 ų
• Cell temperature: 120.02 ± 0.1 K
• Ambient diffraction temperature: 120.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No