Information card for entry 7711777

Structure parameters

• Formula: C54 H68 Cl4 Er N5 O8
• Calculated formula: C52 H56 Cl4 Er N5 O4
• Title of publication: Efficient synthetic route to heterobimetallic trinuclear complexes [Ln-Mn-Ln] and their single molecule magnetic properties
• Authors of publication: Filzah Ghazali, Nurul; Vignesh, Kuduva R.; Phonsri, Wasinee; Murray, Keith S.; Junk, Peter Courtney; Deacon, Glen B.; Turner, David Roger
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 22.593 ± 0.005 Å
• b: 22.512 ± 0.005 Å
• c: 22.757 ± 0.005 Å
• α: 90°
• β: 107.66 ± 0.03°
• γ: 90°
• Cell volume: 11029 ± 5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0404
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No