Information card for entry 7716566

Structure parameters

• Formula: C44 H86 Cr2 Er2 N2 O20
• Calculated formula: C44 H86 Cr2 Er2 N2 O20
• Title of publication: SMM features of a large lanthanide family of butterfly CrIII2LnIII2 pivalate complexes (Ln = Gd, Tb, Dy, Ho, Er, Tm and Yb).
• Authors of publication: Cabrosi, Daiana; Mecchia Ortiz, Juan H.; Carrella, Luca M.; Rentschler, Eva; Alborés, Pablo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12189 - 12198
• a: 11.1602 ± 0.0005 Å
• b: 11.2588 ± 0.0005 Å
• c: 12.2291 ± 0.0005 Å
• α: 106.575 ± 0.004°
• β: 91.167 ± 0.004°
• γ: 93.723 ± 0.004°
• Cell volume: 1468.42 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No