Information card for entry 7705640

Structure parameters

• Formula: C66 H76 Dy N O7
• Calculated formula: C66 H76 Dy N O7
• SMILES: [Dy]123([O]=C(C=C(O1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([O]=C(C=C(O2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([O]=C(C=C(O3)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[O]=CN(C)C
• 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: 12.2208 ± 0.0004 Å
• b: 13.7998 ± 0.0004 Å
• c: 19.7289 ± 0.0007 Å
• α: 94.577 ± 0.002°
• β: 99.474 ± 0.002°
• γ: 105.841 ± 0.002°
• Cell volume: 3129.76 ± 0.18 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: 0.0543
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No