Information card for entry 7705642

Structure parameters

• Formula: C66 H76 Er N O7
• Calculated formula: C66 H76 Er N O7
• 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: 12.5323 ± 0.0002 Å
• b: 19.8358 ± 0.0003 Å
• c: 25.8063 ± 0.0004 Å
• α: 106.578 ± 0.001°
• β: 94.751 ± 0.001°
• γ: 91.386 ± 0.001°
• Cell volume: 6119.67 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No