Information card for entry 7048004

Structure parameters

• Formula: C46 H63.5 B Cl2 Dy O5.5
• Calculated formula: C46 H63.5 B Cl2 Dy O5.5
• Title of publication: Single-molecule magnet behaviour in a Dy(iii) pentagonal bipyramidal complex with a quasi-linear Cl-Dy-Cl sequence.
• Authors of publication: Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 35 - 39
• a: 12.5166 ± 0.0005 Å
• b: 12.7218 ± 0.0005 Å
• c: 29.2642 ± 0.0012 Å
• α: 79.4431 ± 0.0009°
• β: 79.7267 ± 0.001°
• γ: 82.1866 ± 0.0009°
• Cell volume: 4481.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No